# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-08T22:18:48+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 13 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
"1001030","10.442","0.006","10.442","0.005","10.442","0.005","90","","90","","90","","1138.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Disodium ditantalum oxide","","- Na2 O6 Ta2 -","- Na2 O5.998 Ta2 -","- Na16 O47.984 Ta16 -","8","0.0416667","","Michel, C; Groult, D; Chailleux, J M; Raveau, B","Sur de nouveaux pyrochlores lacunaires riches en sodium Na~1+a~ Ta~1+a~ W~1-a~ O~6~ synthetises par echange carionique en phase solide","Revue de Chimie Minerale","1976","13","","283","289","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001281","9.072","0.004","9.072","0.004","11.67","0.008","90","","90","","120","","831.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE","","- Ba3 Li Nb3 O21 Ti5 -","- Ba3 Li Nb3 O21 Ti5 -","- Ba6 Li2 Nb6 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001282","9.072","0.004","9.072","0.004","11.67","0.008","90","","90","","120","","831.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE","","- Ba3 Li Nb3 O21 Ti5 -","- Ba3 Li Nb3 O21 Ti5 -","- Ba6 Li2 Nb6 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001283","9.062","0.004","9.062","0.004","11.679","0.008","90","","90","","120","","830.6","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRITANTALUM PENTATITANIUM OXIDE","","- Ba3 Li O21 Ta3 Ti5 -","- Ba3 Li O21 Ta3.0002 Ti4.9998 -","- Ba6 Li2 O42 Ta6.0004 Ti9.9996 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001284","8.978","0.004","8.978","0.004","11.815","0.008","90","","90","","120","","824.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRIANTIMONY(V) PENTATITANIUM OXIDE","","- Ba3 Li O21 Sb3 Ti5 -","- Ba3 Li O21 Sb3 Ti5 -","- Ba6 Li2 O42 Sb6 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001847","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexatantalum dithallium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001848","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Dithallium hexatantalum titanium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001849","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001850","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00",""
"1004063","9.466","0.002","9.466","0.002","9.466","0.002","90","","90","","90","","848.2","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","LANTHANUM RUTHENIUM OXIDE (3/3/11)","","- La3 O11 Ru3 -","- La3 O11 Ru3 -","- La12 O44 Ru12 -","4","0.166667","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: II-Preparation et etude structurelle de la phase La~3~ Ru~3~ O~11~","Materials Research Bulletin","1978","13","","805","810","10.1016/0025-5408(78)90043-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007137","9.516","0.002","5.547","0.001","6.572","0.002","102.33","0.17","106.27","0.17","80.13","0.17","323","","","","","","","","","","","","","4","P -1","-P 1","2","","SILVER COBALT PHOSPHATE","","- Ag Co O4 P -","- Ag Co O4 P -","- Ag4 Co4 O16 P4 -","4","2","","Tordjman, I; Guitel, J C; Durif, A; Averbuch, M T; Masse, R","Structure cristalline du monophosphate Ag Co P O~4~100521-Syntheses of Hollandite type Rb~2~ Cr~8~ O~16~, K~2~ Cr~2~ V~6~ O~16~ and K~2~ V~8~ O~16~","Materials Research Bulletin","1978","13","","983","988","10.1016/0025-5408(78)90111-3","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010051","11.986","0.004","11.986","0.004","11.986","0.004","90","","90","","90","","1722","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon iodide","","- I4 Si -","- I4 Si -","- I32 Si8 -","8","0.333333","","Hassel, O; Kringstad, H","Bemerkungen ueber den Kristallbau der Tetrahalogenide leichterer Elemente.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010547","10.42","","10.71","","9.365","","90","","90","","90","","1045.1","","","","","","","","","","","","","4","","","","","Cadmium selenate dihydrate","","- Cd H4 O6 Se -","","","8","","","Kokkoros, P","Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten","Praktika tes Akademias Athenon","1938","13","","337","344","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010548","10.47","","10.51","","9.24","","90","","90","","90","","1016.8","","","","","","","","","","","","","4","","","","","Manganese selenate dihydrate","","- H4 Mn O6 Se -","","","8","","","Kokkoros, P","Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten","Praktika tes Akademias Athenon","1938","13","","337","344","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010603","10.88","","10.88","","10.88","","90","","90","","90","","1287.9","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminecobalt(III) iodide","","- Co H18 I3 N6 -","- Co H18 I3 N6 -","- Co4 H72 I12 N24 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of Hexamine-cobalti-iodide (Co (N H~3~)~6~) I~3~","American Journal of Science, Serie 5(1,1921-1938)","1927","13","","223","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010607","8.99","","8.99","","8.99","","90","","90","","90","","726.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexafluorogermanate","","- Cs2 F6 Ge -","- Cs2 F6 Ge -","- Cs8 F24 Ge4 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of cesium fluogermanate","American Journal of Science, Serie 5(1,1921-1938)","1927","13","","347","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100012","5.189","0.01","8.996","0.006","20.09599","0.02","90","","95.18","0.08","90","","934.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium alumosilicate hydrate *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Radoslovich, E W","The Structure of Muscovite, K Al2 (Si3 Al) O10 (O H)2","Acta Crystallographica (1,1948-23,1967)","1960","13","","919","932","10.1107/S0365110X60002259","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101030","5.189","0.01","8.996","0.006","20.096","0.02","90","","95.18","0.08","90","","934.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium alumosilicate hydrate *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Radoslovich, E. W.","The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~","Acta Crystallographica","1960","13","11","919","932","10.1107/s0365110x60002259","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","200780","2020-10-21","18:00:00",""
"1500030","9.2352","0.001","11.433","0.0013","11.7995","0.0013","71.035","0.002","87.722","0.002","77.265","0.002","1148.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cu2 N14 O18 -","- C36 H54 Cu2 N14 O18 -","- C36 H54 Cu2 N14 O18 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Inorganic Chemistry Communications","2010","13","","399","403","10.1016/j.inoche.2009.12.033","","","0.71073","MoKα","","0.0479","0.0419","","","0.1056","0.1096","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501602","8.2094","0.0019","21.264","0.005","5.9988","0.0013","90","","90","","90","","1047.2","0.4","218","2","218","2","","","","","","","","4","P n m a","-P 2ac 2n","62","EB7721","","","- C14 H10 F N -","- C14 H10 F N -","- C56 H40 F4 N4 -","4","0.5","","Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V.","Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles.","Organic letters","2011","13","20","5592","5595","10.1021/ol202318w","","","0.71073","MoKα","","0.0531","0.0359","","","0.0923","0.0989","","","","","","1.004","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501849","15.429","0.002","6.4378","0.0009","16.994","0.003","90","","105.454","0.014","90","","1627","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N4 -","- C44 H42 N4 -","- C88 H84 N8 -","2","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0739","0.0416","","","0.0898","0.0974","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501850","15.338","0.003","13.793","0.002","15.4883","0.0017","90","","90","","90","","3276.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N4 Ni -","- C44 H40 N4 Ni -","- C176 H160 N16 Ni4 -","4","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0618","0.0377","","","0.1023","0.1105","","","","","","0.786","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501851","24.668","0.002","17.4685","0.0009","25.941","0.002","90","0.002","107.172","0.01","90","0.01","10680","1.4","293","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O4 -","- C26 H27.5 N2 O4 -","- C416 H440 N32 O64 -","16","2","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.128","0.0712","","","0.1985","0.2237","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501852","8.9091","0.0006","4.86","0.0003","17.9948","0.0012","90","","100.636","0.001","90","","765.76","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C36 H32 N8 O4 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1165","0.1182","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501853","7.3881","0.0007","10.9108","0.001","15.096","0.0014","101.546","0.001","95.941","0.001","105.033","0.001","1135.82","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 O6 -","- C22 H18 F6 N4 O6 -","- C44 H36 F12 N8 O12 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.1338","0.1483","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501854","12.632","0.003","9.666","0.002","12.804","0.003","90","","116.024","0.007","90","","1404.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ABIV-284","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","2","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0261","0.0258","","","0.064","0.0642","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501855","8.782","0.004","19.177","0.008","9.362","0.004","90","","113.9","0.02","90","","1441.5","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","ABIV-293","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0365","0.0343","","","0.0834","0.0851","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501856","7.1397","0.0001","6.5723","0.0001","21.7434","0.0004","90","","98.501","0.001","90","","1009.08","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C42 H44 Fe2 O12 S2 -","2","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0288","0.0277","","","0.0657","0.0661","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501857","12.0135","0.0003","12.644","0.0003","13.0635","0.0004","90","","90","","90","","1984.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O6 S -","- C20 H20 Fe O6 S -","- C80 H80 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0237","0.0232","","","0.0613","0.0615","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501858","6.1275","0.0001","9.7503","0.0001","35.2888","0.0005","90","","90","","90","","2108.33","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C84 H88 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0307","0.0272","","","0.0656","0.0667","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501859","11.0138","0.0008","11.3199","0.0009","11.6948","0.0009","90","","98.794","0.002","90","","1440.91","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.071","0.0473","","","0.1176","0.1348","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501860","11.751","0.002","7.9495","0.0016","32.608","0.006","90","","108.379","0.007","90","","2890.7","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C136 H160 O16 -","8","2","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.0764","0.0453","","","0.1154","0.1379","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501861","10.2004","0.0002","10.4858","0.0002","10.936","0.0001","79.725","0.001","79.268","0.001","81.578","0.002","1123.03","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H6 B F15 O -","- C24 H6 B F15 O -","- C48 H12 B2 F30 O2 -","2","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.04","0.0381","","","0.1059","0.1082","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501862","14.2119","0.0002","16.668","0.0002","18.1682","0.0003","90","","90","","90","","4303.75","0.11","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","0.71073","MoKα","","0.0741","0.0531","","","0.1168","0.1305","","","","","","1.06","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501863","12.6904","0.0003","10.1992","0.0004","18.6406","0.0009","90","","106.434","0.002","90","","2314.12","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C96 H40 B4 F60 -","4","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.047","0.0426","","","0.1121","0.1163","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501864","11.15","0.007","11.305","0.008","31.2","0.03","90","","90","","90","","3933","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C184 H160 O16 S8 -","8","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1914","0.0709","","","0.1861","0.2301","","","","","","0.847","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501865","20.063","0.011","10.21","0.006","21.815","0.016","90","","89.42","0.02","90","","4468","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H44 O5 S2 -","- C51 H44 O5 S2 -","- C204 H176 O20 S8 -","4","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1183","0.0997","","","0.244","0.1942","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501866","8.351","0.005","10.444","0.005","13.019","0.009","105.335","0.003","97.845","0.005","105.307","0.005","1029.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O2 S -","- C24 H22 O2 S -","- C48 H44 O4 S2 -","2","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1102","0.0764","","","0.1767","0.2089","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501867","6.124","0.003","14.952","0.008","12.56","0.009","90","","91.07","0.02","90","","1149.9","1.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 F6 O2 S -","- C23 H18 F6 O2 S -","- C46 H36 F12 O4 S2 -","2","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.093","0.0756","","","0.2088","0.2274","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501868","6.297","0.0013","19.655","0.004","8.8472","0.0018","90","","91.87","0.03","90","","1094.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","","Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen","Asymmetric total synthesis and structural elucidation of NFAT-68.","Organic letters","2011","13","1","74","77","10.1021/ol102574d","","","0.71073","MoKα","","0.2115","0.0592","","","0.0652","0.085","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501869","7.4253","0.0015","6.7697","0.0014","16.333","0.003","90","","102.13","0.03","90","","802.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0496","0.0371","","","0.0875","0.0955","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501870","5.4202","0.0011","10.233","0.002","18.723","0.004","90","","90","","90","","1038.5","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0389","0.0362","","","0.0877","0.0908","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501871","11.193","0.009","10.374","0.008","13.163","0.01","90","","106.797","0.007","90","","1463","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H47 O6 -","- C28 H47 O6 -","- C56 H94 O12 -","2","1","","Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong","Total synthesis of (-)-Przewalskin B.","Organic letters","2011","13","2","173","175","10.1021/ol102593r","","","0.71073","MoKα","","0.1091","0.0746","","","0.1964","0.2242","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501872","8.6429","0.0012","27.752","0.004","9.2865","0.0014","90","","107.44","0.004","90","","2125","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C100 H80 Cl4 N4 O16 -","4","2","","Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin","Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles.","Organic letters","2011","13","1","82","85","10.1021/ol102597s","","","0.71073","MoKα","","0.071","0.0592","","","0.131","0.1392","","","","","","1.053","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501873","13.2577","0.0007","7.3889","0.0003","15.0467","0.0004","90","","105.525","0.003","90","","1420.19","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.11","0.0581","","","0.14","0.1804","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501874","9.6221","0.0003","8.9558","0.0004","21.2803","0.001","90","","100.385","0.003","90","","1803.76","0.13","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.144","0.0629","","","0.1471","0.1909","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501875","15.223","0.0007","9.7311","0.0004","11.8244","0.0011","90","","93.537","0.003","90","","1748.3","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Chai, David I.; Hoffmeister, Laura; Lautens, Mark","Synthesis of 2-oxazolones and α-aminoketones via palladium-catalyzed reaction of β,β-dibromoenamides.","Organic letters","2011","13","1","106","109","10.1021/ol102634c","","","0.71073","MoKα","","0.1478","0.0579","","","0.1293","0.172","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501876","7.5957","0.0013","11.494","0.002","21.526","0.004","90","","90","","90","","1879.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Jin, Zhichao; Wang, Xiao; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Diastereo- and enantioselective synthesis of oxazine and oxazolidine derivatives with a chiral quaternary carbon center under multifunctional catalysis.","Organic letters","2011","13","4","564","567","10.1021/ol102643a","","","0.71073","MoKα","","0.0879","0.0449","","","0.0897","0.0966","","","","","","0.811","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501877","9.9664","0.0013","7.268","0.001","19.153","0.003","90","","99.713","0.002","90","","1367.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C60 H52 F4 O12 S4 -","4","1","","Zhang, He; Zhou, Chang-Bing; Chen, Qing-Yun; Xiao, Ji-Chang; Hong, Ran","Monofluorovinyl tosylate: a useful building block for the synthesis of terminal vinyl monofluorides via Suzuki-Miyaura coupling.","Organic letters","2011","13","4","560","563","10.1021/ol102645g","","","0.71073","MoKα","","0.0578","0.043","","","0.1075","0.1118","","","","","","0.944","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501878","9.5322","0.0003","10.3847","0.0003","12.3527","0.0003","84.4292","0.0003","72.2128","0.0003","66.9269","0.0003","1070.83","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C52 H50 N6 O2 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0411","0.0386","","","0.1032","0.1054","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501879","16.7182","0.0013","15.0048","0.0012","9.8096","0.0008","90","","102.86","0.0008","90","","2399","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0291","0.028","","","0.0756","0.0765","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501880","8.3049","0.0004","9.498","0.0004","15.5636","0.0007","99.4404","0.0005","99.1386","0.0005","107.537","0.0005","1126.09","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0501","0.04","","","0.1013","0.1084","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501881","18.5834","0.0007","25.3538","0.0009","32.657","0.0012","90","","90","","90","","15386.7","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C744 H648 N72 O72 -","24","3","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.06","0.0365","","","0.073","0.0804","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501882","15.1705","0.0012","20.6845","0.0016","17.4086","0.0013","90","","110.54","0.002","90","","5115.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C248 H216 N24 O24 -","8","2","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.1279","0.0823","","","0.1989","0.2227","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501883","11.2541","0.0015","9.5009","0.0013","8.4762","0.0011","90","","103.936","0.003","90","","879.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F2 -","- C26 H16 F2 -","- C52 H32 F4 -","2","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","0.71073","MoKα","","0.0437","0.0391","","","0.0992","0.1018","","","","","","1.091","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501884","11.4349","0.0001","12.9659","0.0002","16.4853","0.0003","74.056","0.002","86.58","0.001","85.989","0.001","2342.31","0.06","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.86 H47.72 -","- C66.858 H47.716 -","- C133.716 H95.432 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","1.54184","CuKα","","0.0523","0.0488","","","0.1434","0.1464","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501885","11.5233","0.0005","12.968","0.0005","13.3977","0.0005","101.394","0.002","94.514","0.002","99.229","0.002","1924.56","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H37 N5 Ni O2 -","- C51 H37 N5 Ni O2 -","- C102 H74 N10 Ni2 O4 -","2","1","","Carvalho, Carla M. B.; Neves, Maria G. P. M. S.; Tomé, Augusto C; Paz, Filipe A Almeida; Silva, Artur M. S.; Cavaleiro, José A S","1,3-Dioxopyrrolo[3,4-b]porphyrins: synthesis and chemistry.","Organic letters","2011","13","1","130","133","10.1021/ol102691s","","","0.71073","MoKα","","0.0659","0.0413","","","0.1086","0.1208","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501886","8.108","0.0001","11.4326","0.0002","14.8333","0.0003","101.495","0.001","92.42","0.001","94.486","0.001","1340.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N4 O5 S2 -","- C29 H22 N4 O5 S2 -","- C58 H44 N8 O10 S4 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0356","0.033","","","0.082","0.0845","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501887","11.2893","0.001","11.9604","0.0017","12.11","0.0012","84.75","0.008","84.635","0.006","76.004","0.008","1575.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O5 -","- C38 H24 N4 O5 -","- C76 H48 N8 O10 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1007","0.0842","","","0.1718","0.1784","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501888","23.242","0.002","7.8358","0.0007","30.029","0.003","90","","92.897","0.003","90","","5461.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N8 O10 S4 -","- C58 H44 N8 O10 S4 -","- C232 H176 N32 O40 S16 -","4","0.5","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0998","0.0674","","","0.1592","0.1712","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501889","15.0733","0.0013","19.7051","0.0016","14.1933","0.0011","90","","104.311","0.003","90","","4084.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 N6 O7 S -","- C49 H32 N6 O7 S -","- C196 H128 N24 O28 S4 -","4","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1195","0.0753","","","0.1696","0.1875","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501890","11.864","0.004","8.768","0.003","18.696","0.006","90","","96.548","0.005","90","","1932.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.0664","0.0609","","","0.1297","0.1329","","","","","","1.187","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501891","14.854","0.005","10.059","0.003","22.557","0.007","90","","110.26","0.005","90","","3161.9","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C140 H144 N16 O24 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.1032","0.0986","","","0.1671","0.169","","","","","","1.366","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501892","10.2168","0.0005","15.2722","0.0007","16.1196","0.0007","90","","100.054","0.0006","90","","2476.6","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N2 O3 S Si -","- C25 H36 N2 O3 S Si -","- C100 H144 N8 O12 S4 Si4 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0414","0.0349","","","0.0903","0.0951","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501893","8.3797","0.0004","14.5146","0.0007","12.1909","0.0006","90","","102.819","0.0005","90","","1445.8","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0437","0.0408","","","0.109","0.1121","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501894","8.007","0.0002","15.022","0.0006","17.487","0.0007","90","","90","","90","","2103.36","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Barroso, Santiago; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Highly enantioselective nitrone cycloadditions with 2-alkenoyl pyridine N-oxides catalyzed by Cu(II)-BOX complexes.","Organic letters","2011","13","3","402","405","10.1021/ol102716e","","","0.71073","MoKα","","0.0722","0.05","","","0.1409","0.1678","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501895","14.697","0.0014","14.329","0.0013","14.303","0.0013","90","","104.267","0.004","90","","2919.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl O5 -","- C31 H35 Cl O5 -","- C124 H140 Cl4 O20 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71075","MoKα","","0.0785","0.0554","","","0.1124","0.1218","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501896","11.6425","0.0019","22.489","0.004","11.6436","0.0018","90","","93.811","0.004","90","","3041.9","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O8 -","- C36 H30 N2 O8 -","- C144 H120 N8 O32 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71073","MoKα","","0.0441","0.0381","","","0.0932","0.0975","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501897","16.398","0.003","7.6279","0.0014","13.045","0.002","90","","99.836","0.004","90","","1607.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.1268","0.0581","","","0.0917","0.1377","","","","","","0.859","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501898","7.9594","0.0008","11.7961","0.0011","17.4102","0.0016","90","","98.137","0.002","90","","1618.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0649","0.0398","","","0.0721","0.0775","","","","","","0.889","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501899","9.0491","0.0018","18.07","0.004","9.4597","0.0019","90","","94.301","0.004","90","","1542.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0799","0.0508","","","0.1045","0.1142","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501900","14.655","0.008","11.644","0.005","14.194","0.006","90","","115.844","0.015","90","","2179.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N2 O2 -","- C25 H25 Cl N2 O2 -","- C100 H100 Cl4 N8 O8 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0845","0.0582","","","0.1389","0.1479","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501901","23.245","0.005","11.539","0.003","12.288","0.002","90","","90","","90","","3295.9","1.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H42 B N -","- C42 H42 B N -","- C168 H168 B4 N4 -","4","1","","Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning","Switchable Three-State Fluorescence of a Nonconjugated Donor–Acceptor Triarylborane","Organic Letters","2011","13","2","300","303","10.1021/ol102749y","","","0.71073","MoKα","","0.263","0.0588","","","0.0858","0.1224","","","","","","0.703","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501902","4.9317","0.0001","8.7095","0.0002","16.1625","0.0004","74.714","0.001","85.557","0.001","77.087","0.001","652.6","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","5,5'-Dioctyl-[3,3']bi[thieno[3,4-c]pyrrolyl]-4,6,4',6'-tetraone","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","1.54178","CuKα","","0.0319","0.0316","","","0.0865","0.0868","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501903","6.9848","0.0008","17.225","0.0019","17.991","0.002","71.97","0.001","84.512","0.001","78.304","0.001","2014.3","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C70 H74 Br4 Cl6 N8 O8 S6 -","2","1","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","0.71073","MoKα","","0.0771","0.0481","","","0.109","0.119","","","","","","1.279","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501904","10.3366","0.0001","10.93","0.0001","23.5701","0.0003","90","","90","","90","","2662.93","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","","Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching","Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis.","Organic letters","2011","13","3","446","449","10.1021/ol102772j","","","1.54178","CuKα","","0.0591","0.0523","","","0.1432","0.1484","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501905","9.146","0.004","10.974","0.004","24.749","0.01","90","","90.258","0.006","90","","2484","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Chen, Zhiyuan; Zheng, Danqing; Wu, Jie","A facile route to polysubstituted indoles via three-component reaction of 2-ethynylaniline, sulfonyl azide, and nitroolefin.","Organic letters","2011","13","5","848","851","10.1021/ol102775s","","","0.71073","MoKα","","0.0851","0.0598","","","0.1745","0.1866","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501906","6.6653","0.0001","8.3058","0.0002","31.2578","0.0006","90","","92.539","0.001","90","","1728.75","0.06","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Clavier, Hervé; Le Jeune, Karel; de Riggi, Innocenzo; Tenaglia, Alphonse; Buono, Gérard","Highly selective cobalt-mediated [6 + 2] cycloaddition of cycloheptatriene and allenes.","Organic letters","2011","13","2","308","311","10.1021/ol102783x","","x-ray","0.71073","MoKα","","0.1198","0.0667","","","0.2233","0.2767","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501907","6.0676","0.0002","10.7264","0.0004","7.8745","0.0003","90","","104.958","0.002","90","","495.13","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N -","- C9 H18 Cl N -","- C18 H36 Cl2 N2 -","2","1","","Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M.","2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis.","Organic letters","2011","13","5","836","839","10.1021/ol1027893","","","0.71073","MoKα","","0.0458","0.0387","","","0.0791","0.0836","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501908","9.74","0.002","10.58","0.002","13.367","0.003","87.975","0.008","87.647","0.008","88.54","0.008","1375","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","E-47209-EXP035","","","- C15 H7 Br Cl F3 N2 -","- C15 H7 Br Cl F3 N2 -","- C60 H28 Br4 Cl4 F12 N8 -","4","2","","Martin, Laetitia J.; Marzinzik, Andreas L.; Ley, Steven V.; Baxendale, Ian R.","Safe and reliable synthesis of diazoketones and quinoxalines in a continuous flow reactor.","Organic letters","2011","13","2","320","323","10.1021/ol1027927","","","1.54178","CuKα","","0.0453","0.0389","","","0.118","0.1531","","","","","","1.115","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501909","11.083","0.001","12.964","0.001","14.977","0.001","90","","90","","90","","2151.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.0512","0.0429","","","0.1104","0.1177","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501910","6.1374","0.0004","11.8458","0.0007","30.2363","0.0018","90","","90","","90","","2198.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O2 -","- C29 H26 O2 -","- C116 H104 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.047","0.0421","","","0.1089","0.1136","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501911","17.639","0.003","13.026","0.002","12.1899","0.0018","90","","122.269","0.009","90","","2368.2","0.7","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Yang, Zhigang; Wang, Zhen; Bai, Sha; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric α-amination of 4-substituted pyrazolones catalyzed by a chiral Gd(OTf)3/N,N'-dioxide complex: highly enantioselective synthesis of 4-amino-5-pyrazolone derivatives.","Organic letters","2011","13","4","596","599","10.1021/ol102804p","","","1.54186","CuKα","","0.0697","0.0591","","","0.1262","0.1316","","","","","","1.166","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501912","8.1646","0.0003","5.2885","0.0002","16.1885","0.0006","90","","99.21","0.001","90","","689.98","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C34 H26 Cl2 O4 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.0637","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501913","10.2477","0.0005","10.6579","0.0005","11.7877","0.0006","97.636","0.001","99.784","0.001","117.355","0.001","1093.62","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O6 S -","- C23 H23 N O6 S -","- C46 H46 N2 O12 S2 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0593","0.0578","","","0.1489","0.1517","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501914","10.6114","0.0006","10.5287","0.0006","46.396","0.003","90","","98.255","0.002","90","","5129.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","4","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.1132","0.0496","","","0.0934","0.1131","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501915","17.827","0.004","11.746","0.002","11.045","0.002","90","","90","","90","","2312.8","0.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","1","","Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao","Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction.","Organic letters","2011","13","3","478","481","10.1021/ol1028207","","","0.71073","MoKα","","0.0508","0.0383","","","0.1008","0.117","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501916","11.0997","0.0007","8.6383","0.0007","13.8782","0.0007","90","","91.386","0.004","90","","1330.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","D'Souza, Asha M; Spiccia, Nadia; Basutto, Jose; Jokisz, Pawel; Wong, Leon S.-M.; Meyer, Adam G.; Holmes, Andrew B.; White, Jonathan M.; Ryan, John H.","1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones.","Organic letters","2011","13","3","486","489","10.1021/ol102824k","","","1.5418","CuKα","","0.0762","0.0499","","","0.1229","0.14","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501917","7.7205","0.0015","14.032","0.003","9.5919","0.0019","90","","104.39","0.03","90","","1006.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming","Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization.","Organic letters","2011","13","4","600","603","10.1021/ol1028282","","","1.54178","CuKα","","0.0501","0.0428","","","0.1003","0.1063","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501918","12.7494","0.0007","16.1119","0.0008","21.2918","0.0011","90","","101.332","0.0018","90","","4288.4","0.4","296","","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","0.71075","MoKα","","0.1252","0.0631","","","0.1563","0.2083","","","","","","1.085","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501919","17.115","","13.105","","26.8951","","90","","109.374","","90","","5690.76","","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H75 N5 O5 -","- C55 H75 N5 O5 -","- C220 H300 N20 O20 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","1.0024","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501920","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine A.","Organic letters","2011","13","3","502","505","10.1021/ol102848w","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501921","10.3024","0.0005","16.7569","0.0006","13.4574","0.0006","90","","94.5651","0.0012","90","","2315.87","0.17","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl Cu N3 -","- C23 H29 Cl Cu N3 -","- C92 H116 Cl4 Cu4 N12 -","4","1","","Nakamura, Tatsuhito; Terashima, Takahiro; Ogata, Kenichi; Fukuzawa, Shin-ichi","Copper(I) 1,2,3-triazol-5-ylidene complexes as efficient catalysts for click reactions of azides with alkynes.","Organic letters","2011","13","4","620","623","10.1021/ol102858u","","","0.71075","MoKα","","","0.0655","","","","0.2407","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501922","9.2851","0.0009","18.4728","0.0017","16.5041","0.0019","90","","113.808","0.008","90","","2589.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F -","- C18 H13 F -","- C144 H104 F8 -","8","2","","Yao, Bangben; Li, Yong; Liang, Zunjun; Zhang, Yuhong","Ni-catalyzed intramolecular cycloaddition of methylenecyclopropanes to alkynes.","Organic letters","2011","13","4","640","643","10.1021/ol1028628","","","0.71073","MoKα","","0.1283","0.0388","","","0.0389","0.0419","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501923","14.2979","0.0002","14.5398","0.0002","15.7308","0.0003","71.49","0.001","87.882","0.001","65.423","0.001","2802.94","0.08","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","1","1","","Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland","Enantioselective haloetherification by asymmetric opening of meso-halonium ions.","Organic letters","2011","13","5","860","863","10.1021/ol1028805","","","0.71073","MoKα","","0.085","0.0721","","","0.1633","0.1767","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501924","6.764","0.003","4.4614","0.0019","29.113","0.012","90","","90.547","0.005","90","","878.5","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Hydoxy-2-methylphenacyl)-2-oxoethyl Formate","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Šebej, Peter; Lim, Bum Hee; Park, Bong Ser; Givens, Richard S.; Klán, Petr","The power of solvent in altering the course of photorearrangements.","Organic letters","2011","13","4","644","647","10.1021/ol102887f","","","0.71073","MoKα","","0.0976","0.0881","","","0.2214","0.2318","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501925","9.3644","0.0001","11.7016","0.0002","9.7246","0.0001","90","","99.3685","0.0007","90","","1051.39","0.02","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Michaelides, Iacovos N.; Darses, Benjamin; Dixon, Darren J.","Acid-catalyzed synthesis of bicyclo[3.n.1]alkenediones.","Organic letters","2011","13","4","664","667","10.1021/ol102909t","","","0.71073","MoKα","","0.0543","0.0416","","0.0972","0.0927","0.0972","","","","","","0.9434","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501926","28.7109","0.001","6.0157","0.0002","20.2899","0.0009","90","","120.169","0.004","90","","3029.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 I2 O -","- C16 H12 I2 O -","- C128 H96 I16 O8 -","8","1","","Zhu, Hai-Tao; Ji, Ke-Gong; Yang, Fang; Wang, Li-Jing; Zhao, Shu-Chun; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic carbocyclization of aryl propargylic alcohols: a facile synthesis of diiodinated carbocycles and heterocycles.","Organic letters","2011","13","4","684","687","10.1021/ol1029194","","","0.71073","MoKα","","0.0462","0.0304","","","0.0624","0.0684","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501927","11.4787","0.0009","9.9688","0.0008","24.0837","0.0018","90","","90.213","0.001","90","","2755.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O8 -","- C33 H25 N O8 -","- C132 H100 N4 O32 -","4","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.067","0.0414","","","0.1009","0.1172","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501928","9.6288","0.0004","10.5846","0.0004","11.482","0.0004","75.515","0.001","80.586","0.001","83.926","0.001","1115.17","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O7 -","- C27 H22 O7 -","- C54 H44 O14 -","2","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.0484","0.0401","","","0.1053","0.1146","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501929","15.7461","0.0003","15.7461","0.0003","11.9364","0.0002","90","","90","","120","","2563.01","0.08","193","2","193","2","","","","","","","","4","P 31","P 31","144","","(R)-5,5'-Bis(diphenylphosphinoyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O6 P2 -","- C44 H36 O6 P2 -","- C132 H108 O18 P6 -","3","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0312","0.0306","","","0.0821","0.0826","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501930","8.98499","0.00016","16.8485","0.0003","23.4132","0.0004","90","","90","","90","","3544.37","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-5,5'-Bis(diphenylphosphanyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O4 P2 -","- C44 H36 O4 P2 -","- C176 H144 O16 P8 -","4","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0322","0.0319","","","0.0822","0.0826","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501931","5.6626","0.0002","9.637","0.0003","18.9453","0.0007","90","","94.067","0.002","90","","1031.25","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Zhou, Quan; Snider, Barry B.","Synthesis of phantasmidine.","Organic letters","2011","13","3","526","529","10.1021/ol102929m","","","0.71073","MoKα","","0.0317","0.0306","","0.0817","0.0774","0.0817","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501932","7.6713","0.0004","10.9248","0.0004","11.8599","0.0005","90","","99.368","0.003","90","","980.69","0.08","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","1","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.0542","0.0455","","","0.1083","0.1206","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501933","8.3787","0.0017","10.986","0.002","20.823","0.004","90","","94.556","0.007","90","","1910.7","0.6","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 S2 -","- C19 H24 O5 S2 -","- C76 H96 O20 S8 -","4","2","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.2896","0.0905","","","0.1734","0.2884","","","","","","0.916","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501934","8.036","0.003","12.408","0.004","12.444","0.004","90","","99.191","0.005","90","","1224.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0563","0.0426","","","0.1147","0.1234","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501935","7.659","0.003","14.452","0.005","26.66","0.009","90","","90","","90","","2950.9","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 -","- C19 H15 Cl N2 -","- C152 H120 Cl8 N16 -","8","2","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0765","0.0598","","","0.117","0.1253","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501936","8.2302","0.0003","8.2837","0.0003","13.1837","0.0004","79.9846","0.0004","82.2194","0.0004","77.7988","0.0004","860.57","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0447","0.0418","","","0.1105","0.1138","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501937","12.2754","0.0013","17.8152","0.0018","9.485","0.001","90","","100.204","0.0012","90","","2041.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0693","0.0485","","","0.1146","0.1291","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501938","12.6475","0.0005","11.3248","0.0004","14.4129","0.0005","90","","90","","90","","2064.37","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0359","0.0353","","","0.0994","0.1002","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501939","6.2","0.003","11.695","0.006","15.337","0.007","90","","91.527","0.007","90","","1111.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Chen, Zhi-Hua; Tu, Yong-Qiang; Zhang, Shu-Yu; Zhang, Fu-Min","Development of the intramolecular Prins cyclization/Schmidt reaction for the construction of the azaspiro[4,4]nonane: application to the formal synthesis of (±)-stemonamine.","Organic letters","2011","13","4","724","727","10.1021/ol102955e","","","0.71073","MoKα","","0.2436","0.1223","","","0.2702","0.3353","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501940","10.7883","0.0005","11.9051","0.0007","12.1487","0.0006","105.439","0.003","94.654","0.003","109.697","0.003","1390.7","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Cl2 O8 -","- C28 H32 Cl2 O8 -","- C56 H64 Cl4 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0724","0.046","","","0.1193","0.1298","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501941","11.3375","0.0008","11.6675","0.0007","11.8998","0.0008","100.468","0.003","109.907","0.003","106.463","0.004","1350.14","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O8 -","- C31 H32 O8 -","- C62 H64 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0862","0.0457","","","0.1049","0.1175","","","","","","0.928","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501942","9.4752","0.0003","7.9303","0.0003","12.82","0.0005","90","","102.782","0.001","90","","939.44","0.06","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Liu, Guixia; Zhang, Shilei; Li, Hao; Zhang, Tangzhi; Wang, Wei","Organocatalytic enantioselective Friedel-crafts reactions of 1-naphthols with aldimines.","Organic letters","2011","13","5","828","831","10.1021/ol102987n","","","0.71073","MoKα","","0.0397","0.0359","","","0.0947","0.0981","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501943","17.959","0.002","17.959","0.002","7.9998","0.0005","90","","90","","120","","2234.5","0.4","150","1","150","1","","","","","","","","2","P 63","P 6c","173","","","","- C20 H20 -","- C20 H20 -","- C120 H120 -","6","1","","Krämer, Katja; Leong, Paul; Lautens, Mark","Enantioselective palladium-catalyzed carbozincation of cyclopropenes.","Organic letters","2011","13","4","819","821","10.1021/ol1029904","","","0.71073","MoKα","","0.1498","0.0722","","","0.1556","0.1929","","","","","","1.093","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501944","42.662","0.005","9.5733","0.0006","33.755","0.004","90","","125.507","0.017","90","","11222","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C512 H512 N16 O48 P16 -","16","2","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of Allenephosphoramide and Its Utility in the Preparation of 4,9-Dihydro-2H-benzo[f]isoindoles","Organic Letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1245","0.0469","","","0.0965","0.1064","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501945","8.0069","0.0003","15.2932","0.0007","22.1829","0.0011","90","","97.728","0.004","90","","2691.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C128 H128 N4 O12 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1193","0.0446","","","0.091","0.1012","","","","","","0.795","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501946","18.5397","0.0008","15.0248","0.0006","17.6084","0.0008","90","","103.518","0.005","90","","4769","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H54 N O6 P -","- C57 H54 N O6 P -","- C228 H216 N4 O24 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0756","0.0449","","","0.0988","0.1062","","","","","","0.898","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501947","9.8093","0.0008","12.2537","0.0007","12.4626","0.0009","88.876","0.005","76.621","0.006","82.373","0.006","1444.36","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C64 H64 N2 O8 P2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1279","0.052","","","0.1227","0.1435","","","","","","0.876","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501948","12.3332","0.0006","12.9665","0.0009","13.9933","0.0008","100.449","0.005","111.684","0.005","112.065","0.005","1789","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N O -","- C49 H37 N O -","- C98 H74 N2 O2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0917","0.0398","","","0.0826","0.0907","","","","","","0.816","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501949","5.93358","0.00011","17.3531","0.0004","18.7692","0.0014","90","","90","","90","","1932.59","0.16","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C72 H100 N4 O8 S4 Si4 -","4","1","","Yazaki, Ryo; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of a GPR40 agonist AMG 837 via catalytic asymmetric conjugate addition of terminal alkyne to α,β-unsaturated thioamide.","Organic letters","2011","13","5","952","955","10.1021/ol102998w","","","1.54187","CuKα","","","0.0313","","","","0.0793","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501950","5.57254","0.0001","11.2226","0.0002","32.524","0.002","90","","90","","90","","2034","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0691","","","","0.2016","","","","","","1.118","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501951","8.7454","0.0002","10.5113","0.0003","18.0667","0.0013","90","","90","","90","","1660.79","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F N O S -","- C16 H26 F N O S -","- C64 H104 F4 N4 O4 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0769","","","","0.2081","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501952","9.2258","0.0003","12.5277","0.0003","16.8274","0.0005","90","","103.365","0.0017","90","","1892.21","0.1","173.1","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N O4 -","- C19 H14 Cl3 N O4 -","- C76 H56 Cl12 N4 O16 -","4","1","","Takahashi, Hideyo; Wakamatsu, Shintaro; Tabata, Hidetsugu; Oshitari, Tetsuta; Harada, Ayako; Inoue, Keizo; Natsugari, Hideaki","Atropisomerism observed in indometacin derivatives.","Organic letters","2011","13","4","760","763","10.1021/ol103008d","","","1.54187","CuKα","","","0.043","","","","0.1089","","","","","","1.311","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501953","18.363","0.004","5.9771","0.0012","16.314","0.003","90","","94.61","0.03","90","","1784.8","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S3 -","- C17.98 H7 N2 O4 S3 -","- C71.92 H28 N8 O16 S12 -","4","1","","Hong, Wei; Yuan, Haihong; Li, Hongxiang; Yang, Xiaodi; Gao, Xike; Zhu, Daoben","Linear fused dithieno[2,3-b:3'2'-d]thiophene diimides.","Organic letters","2011","13","6","1410","1413","10.1021/ol103013d","","","0.71073","MoKα","","0.0634","0.0578","","","0.175","0.1809","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501954","11.5628","0.001","8.5095","0.0007","18.608","0.0016","90","","91.064","0.002","90","","1830.6","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","2","","Hong, Bor-Cherng; Nimje, Roshan Y.; Lin, Cheng-Wei; Liao, Ju-Hsiou","Enantioselective organocatalytic Michael-Wittig-Michael-Michael reaction: dichotomous construction of pentasubstituted cyclopentanecarbaldehydes and pentasubstituted cyclohexanecarbaldehydes.","Organic letters","2011","13","6","1278","1281","10.1021/ol1030487","","","0.71073","MoKα","","0.0927","0.0699","","","0.1334","0.1439","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501955","8.191","0.0016","9.456","0.0019","10.496","0.002","95.84","0.03","99.81","0.03","110.54","0.03","738.6","0.3","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Guérot, Carine; Tchitchanov, Boris H.; Knust, Henner; Carreira, Erick M.","Synthesis of novel angular spirocyclic azetidines.","Organic letters","2011","13","4","780","783","10.1021/ol103050c","","","0.7","Synchrotron","","0.0576","0.0576","","","0.1464","0.1464","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501956","7.74","0.006","13.342","0.01","24.64","0.018","90","","90","","90","","2545","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br Cl2 N2 O3 -","- C25 H23 Br Cl2 N2 O3 -","- C100 H92 Br4 Cl8 N8 O12 -","4","1","","Jia, Zhen-Xin; Luo, Yong-Chun; Xu, Peng-Fei","Highly enantioselective synthesis of polysubstituted tetrahydroquinolines via organocatalytic Michael/Aza-Henry tandem reactions.","Organic letters","2011","13","5","832","835","10.1021/ol103069d","","","0.71073","MoKα","","0.1635","0.0498","","","0.1063","0.1426","","","","","","0.961","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501957","11.192","0.005","18.427","0.005","18.549","0.006","90","","97.869","0.017","90","","3789","2","173.1","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F6 N O3 P Ru -","- C42 H28 F6 N O3 P Ru -","- C168 H112 F24 N4 O12 P4 Ru4 -","4","1","","Kawatsura, Motoi; Yamamoto, Mitsuaki; Namioka, Junya; Kajita, Koji; Hirakawa, Takuya; Itoh, Toshiyuki","Ruthenium-catalyzed regioselective [2 + 2 + 2] cyclotrimerization of trifluoromethyl group substituted internal alkynes.","Organic letters","2011","13","5","1001","1003","10.1021/ol1030734","","","0.71075","MoKα","","","0.0474","","","","0.115","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501958","10.0605","0.0006","11.357","0.0006","11.6434","0.0007","76.252","0.005","68.044","0.006","75.371","0.005","1178.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C56 H44 I2 N2 O4 S2 -","2","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0581","0.0325","","","0.0496","0.0525","","","","","","0.853","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501959","13.5075","0.0006","14.2341","0.0007","14.5006","0.0005","89.032","0.003","85.245","0.003","72.767","0.004","2653.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cl I N O3 S -","- C29 H23 Cl I N O3 S -","- C116 H92 Cl4 I4 N4 O12 S4 -","4","2","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.066","0.0375","","","0.0732","0.0876","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501960","9.2913","0.0004","29.4694","0.0015","8.8308","0.0004","90","","92.515","0.004","90","","2415.62","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C112 H88 I4 N4 O8 S4 -","4","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0631","0.034","","","0.0679","0.0726","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501961","9.3961","0.0002","9.469","0.0002","10.2833","0.0002","68.3797","0.001","81.4469","0.0009","62.3658","0.001","753.26","0.03","150","","150","","","","","","","","Synthetic","3","P -1","-P 1","2","","","","- C20 H19 N -","- C20 H19 N -","- C40 H38 N2 -","2","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.061","0.0415","","0.1077","0.098","0.1077","","","","","","0.9195","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501962","9.6999","0.0003","13.5546","0.0005","13.8504","0.0006","90","","73.7676","0.0016","90","","1748.43","0.11","150","","150","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.087","0.0512","","0.1232","0.11","0.123","","","","","","0.9462","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501963","8.3429","0.0002","8.7613","0.0003","9.7629","0.0003","96.9997","0.0019","101.396","0.0018","96.5153","0.0014","687.36","0.04","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0255","0.0242","","0.0558","0.0546","0.0558","","","","","","1.0144","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501964","11.4404","0.0003","12.2759","0.0003","14.3996","0.0004","90","","90","","90","","2022.3","0.09","1","","1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 I2 N O5 -","- C16 H27 I2 N O5 -","- C64 H108 I8 N4 O20 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0439","0.0377","","0.0898","0.0842","0.0898","","","","","","0.8829","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501965","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Notte, Gregory T.; Baxter Vu, Jenny M.; Leighton, James L.","Highly enantioselective Mannich reactions with α-aryl silyl ketene acetals and imines.","Organic letters","2011","13","4","816","818","10.1021/ol103096u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501966","12.2467","0.0002","7.47592","0.00013","17.7579","0.0003","90","","96.7267","0.0017","90","","1614.64","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Turner, Penelope A.; Griffin, Ellanna M.; Whatmore, Jacqueline L.; Shipman, Michael","Tetrahydroxanthones by sequential Pd-catalyzed C-O and C-C bond construction and use in the identification of the ""antiausterity"" pharmacophore of the kigamicins.","Organic letters","2011","13","5","1056","1059","10.1021/ol103103n","","","0.71073","MoKα","","0.0692","0.0429","","","0.1019","0.1072","","","","","","0.926","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501967","13.1938","0.0007","6.3948","0.0003","13.5567","0.0007","90","","110.214","0.004","90","","1073.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 -","- C26 H28 N O2 -","- C52 H56 N2 O4 -","2","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.0602","0.0521","","","0.1453","0.151","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501968","28.765","0.006","6.134","0.0012","25.888","0.005","90","","116.08","0.03","90","","4102.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","0.69996","synchrotron","","0.0798","0.0643","","","0.173","0.1844","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501969","10.9327","0.0005","19.6472","0.0009","27.9312","0.0012","90","","90","","90","","5999.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H38 Cl N O2 -","- C35 H38 Cl N O2 -","- C280 H304 Cl8 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.1328","0.0524","","","0.0901","0.1139","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501970","18.0088","0.0008","8.1117","0.0003","18.6667","0.0009","90","","113.387","0.005","90","","2502.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0808","0.049","","","0.1247","0.1338","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501971","10.3923","0.0008","10.6376","0.0008","15.6535","0.0014","90","","90","","90","","1730.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 B O6 -","- C17 H23 B O6 -","- C68 H92 B4 O24 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0896","0.044","","","0.085","0.0922","","","","","","0.803","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501972","7.8896","0.0003","9.0992","0.0003","9.4428","0.0004","88.983","0.003","84.074","0.003","83.609","0.003","670.06","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0317","0.0256","","","0.0582","0.0588","","","","","","0.974","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501973","8.8643","0.0009","11.8667","0.0012","10.0142","0.0011","90","","107.486","0.002","90","","1004.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 O6 -","- C20 H21 Br N2 O6 -","- C40 H42 Br2 N4 O12 -","2","1","","Wang, Xu-Fan; An, Jing; Zhang, Xiao-Xiao; Tan, Fen; Chen, Jia-Rong; Xiao, Wen-Jing","Catalytic asymmetric aza-Michael-Michael addition cascade: enantioselective synthesis of polysubstituted 4-aminobenzopyrans.","Organic letters","2011","13","4","808","811","10.1021/ol1031188","","","0.71073","MoKα","","0.0581","0.0492","","","0.1131","0.1165","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501974","20.2038","0.0013","5.1569","0.0003","18.62","0.0012","90","","114.023","0.001","90","","1771.96","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Deb, Indubhusan; Das, Deepankar; Seidel, Daniel","Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.","Organic letters","2011","13","4","812","815","10.1021/ol1031359","","","0.71073","MoKα","","0.0238","0.0231","","","0.061","0.0614","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501975","15.8048","0.0003","8.9561","0.0002","18.1279","0.0003","90","","103.548","0.001","90","","2494.59","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O7 S -","- C28 H26 N2 O7 S -","- C112 H104 N8 O28 S4 -","4","1","","Kislukhin, Alexander A.; Higginson, Cody J.; Finn, M. G.","Aqueous-phase deactivation and intramolecular [2 + 2 + 2] cycloaddition of oxanorbornadiene esters.","Organic letters","2011","13","7","1832","1835","10.1021/ol103153f","","","0.71073","MoKα","","0.0596","0.0447","","","0.1418","0.1549","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501976","10.145","0.002","9.4248","0.0019","21.513","0.004","90","","100.57","0.03","90","","2022.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Chen, Xiang-Yu; Wen, Ming-Wei; Ye, Song; Wang, Zhi-Xiang","Unusual formal [4 + 2] cycloaddition of ethyl allenoate with arylidenoxindoles: synthesis of dihydropyran-fused indoles.","Organic letters","2011","13","5","1138","1141","10.1021/ol103165y","","","0.71073","MoKα","","0.0621","0.0531","","","0.1374","0.1504","","","","","","1.211","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501977","7.894","0.0009","5.7394","0.0006","13.2234","0.0014","90","","99.583","0.002","90","","590.75","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C24 H32 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0234","0.0231","","","0.0612","0.0615","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501978","6.8959","0.0012","9.5822","0.0016","10.2161","0.0017","90","","107.309","0.002","90","","644.49","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C24 H30 Cl2 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0256","0.0252","","","0.0689","0.0695","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501979","15.176","0.002","9.6244","0.0015","8.8976","0.0014","90","","94.396","0.002","90","","1295.8","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C48 H60 Cl4 O12 S4 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0398","0.0394","","","0.1093","0.11","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501980","8.0356","0.0007","11.0921","0.001","17.5466","0.0016","90","","90","","90","","1564","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O5 -","- C15 H20 Cl N O5 -","- C60 H80 Cl4 N4 O20 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.03","0.0291","","","0.0777","0.0788","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501981","8.821","0.003","11.131","0.004","13.131","0.004","92.575","0.004","99.847","0.004","95.085","0.004","1262.9","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Luo, Yong; Pan, Xiaolin; Wu, Jie","Efficient Synthesis of 5H-Cyclopenta[c]quinoline Derivatives via Palladium-Catalyzed Domino Reactions of o-Alkynylhalobenzene with Amine","Organic Letters","2011","13","5","1150","1153","10.1021/ol103173v","","","0.71073","MoKα","","0.0902","0.0746","","","0.2025","0.2227","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501982","8.9387","0.0015","9.9381","0.0016","14.389","0.002","92.115","0.003","99.658","0.003","95.354","0.003","1252.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0878","0.0724","","","0.1996","0.2132","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501983","8.912","0.003","11.563","0.004","14.488","0.005","111.421","0.005","93.474","0.006","109.002","0.006","1286.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0718","0.0616","","","0.1775","0.1883","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501984","12.648","0.0013","18.681","0.002","11.3502","0.0012","90","","103.573","0.002","90","","2606.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C112 H116 N4 O28 -","4","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.1199","0.0726","","","0.1741","0.1967","","","","","","0.881","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501985","13.776","0.002","8.3633","0.0013","18.579","0.003","90","","96.626","0.002","90","","2126.2","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","2","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0533","0.0518","","","0.1472","0.1495","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501986","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Zeller, Matthias; Brückner, Christian","Quinoline-annulated porphyrins.","Organic letters","2011","13","6","1322","1325","10.1021/ol1031848","","","0.71073","MoKα","","0.1531","0.0692","","","0.1491","0.1786","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501987","5.8373","0.0004","18.1668","0.0013","21.7172","0.0015","90","","90","","90","","2303","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O4 -","- C23 H27 Cl N2 O4 -","- C92 H108 Cl4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0849","0.0556","","","0.1318","0.1464","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501988","5.8869","0.0004","12.4397","0.0009","30.019","0.002","90","","90","","90","","2198.3","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0524","0.035","","","0.0766","0.089","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501989","5.6207","0.0004","21.3127","0.0015","37.844","0.003","90","","90","","90","","4533.4","0.6","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H30 N2 O5 -","- C24 H30.01 N2.01 O5.02 -","- C192 H240.08 N16.08 O40.16 -","8","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1108","0.0732","","","0.1914","0.2187","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501990","12.6085","0.0017","5.7821","0.0008","15.108","0.002","90","","112.947","0.003","90","","1014.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10.5 Br0.5 N O2 -","- C10 H10.5 Br0.5 N O2 -","- C40 H42 Br2 N4 O8 -","4","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1166","0.0713","","","0.1695","0.2014","","","","","","1.064","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501991","17.8049","0.0008","8.5396","0.0003","10.293","0.0005","90","","104.004","0.005","90","","1518.5","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Si2 -","- C36 H34 Si2 -","- C72 H68 Si4 -","2","0.5","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.0532","0.0352","","","0.0828","0.0855","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501992","78.14","0.04","11.995","0.006","25.629","0.012","90","","104.904","0.008","90","","23214","2","149","2","149","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H108 Si6 -","- C108 H108 Si6 -","- C864 H864 Si48 -","8","1","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.2386","0.1116","","","0.2185","0.2345","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501993","12.0408","0.0008","11.9207","0.001","25.282","0.002","90","","96.518","0.002","90","","3605.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 N -","- C50 H35 N -","- C200 H140 N4 -","4","1","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.161","0.0594","","","0.1097","0.1344","","","","","","0.907","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501994","18.6752","0.0012","18.6752","0.0012","10.6107","0.0009","90","","90","","120","","3204.8","0.4","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C60 H42 -","- C60 H42 -","- C180 H126 -","3","0.166667","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.0502","0.0418","","","0.1269","0.1338","","","","","","1.091","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501995","34.4501","0.0004","34.4501","0.0004","11.2367","0.0003","90","","90","","120","","11549.2","0.4","296","2","296","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C594 H432 O72 -","18","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.0369","0.0311","","","0.0683","0.0717","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501996","10.333","0.002","8.0719","0.0016","21.608","0.004","90","","100.077","0.005","90","","1774.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.058","0.0467","","","0.1305","0.1401","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501997","13.5779","0.0005","13.641","0.0005","15.0542","0.0006","65.339","0.002","65.488","0.002","64.504","0.002","2191.1","0.15","90","0.1","90","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","4","","de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J.","Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka.","Organic letters","2011","13","5","1174","1177","10.1021/ol200031t","","","1.54178","CuKα","","0.042","0.0402","","","0.1047","0.1083","","","","","","1.046","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501998","8.5231","0.0004","29.4273","0.0012","11.1098","0.0005","90","","98.976","0.003","90","","2752.3","0.2","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H27 Br2 N O5 -","- C29 H27 Br2 N O5 -","- C116 H108 Br8 N4 O20 -","4","2","","Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A","ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening.","Organic letters","2011","13","6","1346","1349","10.1021/ol200032f","","","0.71073","MoKα","","0.0869","0.0471","","","0.0985","0.1118","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501999","10.912","0.002","11.048","0.002","12.028","0.002","84","0.03","69.82","0.03","79.15","0.03","1335.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 N4 O -","- C31 H34 N4 O -","- C62 H68 N8 O2 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.133","0.0489","","","0.0905","0.0976","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502000","6.2237","0.0012","12.171","0.002","13.138","0.003","82.83","0.03","80.74","0.03","82.4","0.03","968.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C48 H50 N2 O4 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1245","0.0518","","","0.1064","0.1209","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502001","12.118","0.002","13.959","0.003","12.467","0.003","90","","107.72","0.03","90","","2008.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1253","0.0539","","","0.0748","0.0786","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502002","6.4777","0.0015","16.504","0.005","29.762","0.007","90","","90","","90","","3181.8","1.4","123","","123","","","","","","","","","3","P 21 2 21","P 2ac 2ac","18","","","","- C32 H56.76 O8.38 -","- C32 H53 O8.375 -","- C128 H212 O33.5 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","0.71073","MoKα","","0.1551","0.088","","0.2294","0.1988","0.2294","","","","","","0.9538","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502003","50.084","0.004","5.9938","0.0006","13.2247","0.001","90","","105.051","0.004","90","","3833.8","0.6","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H70 O14 -","- C32 H60 O14 -","- C128 H240 O56 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","1.5418","CuKα","","0.104","0.0833","","0.116","0.0862","0.0862","","","","","","0.9263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502004","7.001","0.005","15.566","0.007","17.278","0.006","90","","97.18","0.05","90","","1868.1","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Verma, Akhilesh Kumar; Joshi, Megha; Singh, Ved Prakash","Base-mediated regio- and stereoselective intermolecular addition of alkynes to N-heterocycles.","Organic letters","2011","13","7","1630","1633","10.1021/ol200048z","","","0.71073","MoKα","","0.2743","0.1249","","","0.3094","0.38","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502005","9.7942","0.0009","12.2796","0.0012","12.112","0.0012","90","","103.887","0.002","90","","1414.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O4 S -","- C13 H14 N4 O4 S -","- C52 H56 N16 O16 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0512","0.0432","","","0.1137","0.1189","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502006","14.707","0.003","5.2984","0.0011","19.177","0.004","90","","93.359","0.004","90","","1491.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 O3 S -","- C14 H17 N5 O3 S -","- C56 H68 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0752","0.0665","","","0.1718","0.1838","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502007","26.7452","0.0019","11.6338","0.0007","18.7886","0.0011","90","","107.743","0.002","90","","5568","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N5 O3 S -","- C33 H31 N5 O3 S -","- C264 H248 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0639","0.052","","","0.1332","0.1421","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502008","11.967","0.0013","12.7826","0.0014","10.6078","0.0011","90","","91.783","0.001","90","","1621.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O3 S -","- C15 H19 N5 O3 S -","- C60 H76 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0671","0.0522","","","0.1351","0.1444","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502009","35.609","0.003","5.7753","0.0005","14.2217","0.0013","90","","94.238","0.002","90","","2916.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N5 O3 S -","- C13 H15 N5 O3 S -","- C104 H120 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0681","0.0587","","","0.1589","0.1666","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502010","9.6362","0.0009","11.6135","0.0011","14.9611","0.0014","68.844","0.002","89.865","0.002","85.494","0.002","1556","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N5 O3 S -","- C36 H38 N5 O3 S -","- C72 H76 N10 O6 S2 -","2","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.1086","0.0862","","","0.2144","0.2308","","","","","","1.717","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502011","9.5315","0.0006","10.4853","0.0005","11.9199","0.0006","81.715","0.002","76.668","0.003","79.787","0.003","1134.17","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C52 H28 Br8 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0422","0.0407","","","0.1173","0.1195","","","","","","1.127","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502012","10.9572","0.0011","10.3404","0.0012","19.78","0.002","90","","104.931","0.006","90","","2165.4","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0938","0.055","","","0.1302","0.1506","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502013","9.8526","0.0002","18.1426","0.0003","19.4664","0.0003","108.757","0.001","100.399","0.001","100.076","0.001","3137.68","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28.33 H22.33 Cl -","- C28.3333 H22.3333 Cl -","- C170 H134 Cl6 -","6","3","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0462","0.0371","","","0.096","0.1005","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502014","9.6702","0.0002","9.6964","0.0002","11.0895","0.0002","79.568","0.001","77.854","0.001","76.233","0.001","977.9","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 Br2 -","- C26 H16 Br2 -","- C52 H32 Br4 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0238","0.0234","","","0.0625","0.0628","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502015","20.7871","0.0003","9.92103","0.00017","22.1583","0.0003","90","","97.5244","0.0014","90","","4530.35","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C208 H112 Br32 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","0.7107","MoKα","","0.1101","0.0544","","","0.0886","0.1034","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502016","20.3854","0.0004","10.05033","0.00019","21.6071","0.0005","90","","97.21","0.002","90","","4391.86","0.16","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.5418","CuKα","","0.0544","0.0394","","","0.0989","0.1052","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502017","10.625","0.002","11.575","0.002","12.145","0.002","78.441","0.007","69.879","0.007","73.73","0.007","1337.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C54 H66 N2 O14 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1675","0.0854","","","0.1741","0.2084","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502018","10.5885","0.0012","11.549","0.0013","12.6474","0.0014","78.5","0.003","67.748","0.003","74.424","0.003","1370.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O8 S -","- C27 H33 N O8 S -","- C54 H66 N2 O16 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.0821","0.06","","","0.164","0.1796","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502019","10.4925","0.0009","15.2878","0.0012","17.4611","0.0014","90","","95.649","0.002","90","","2787.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 N2 O9 S -","- C25 H36 N2 O9 S -","- C100 H144 N8 O36 S4 -","4","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1062","0.0629","","","0.1437","0.1665","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502020","7.19","0.003","10.65","0.004","10.795","0.003","104.17","0.03","103.5","0.03","96.7","0.03","766","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C34 H34 Cl2 N4 O2 -","2","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1165","0.0459","","","0.0977","0.1145","","","","","","0.841","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502021","8.466","0.005","9.68","0.003","16.183","0.007","90","","90","","90","","1326.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1142","0.0514","","","0.0881","0.1021","","","","","","0.829","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502022","10.6719","0.0007","12.0517","0.0008","13.6594","0.001","79.724","0.006","89.131","0.006","71.349","0.005","1636.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33 H44 N2 O6 S Si -","- C33 H44 N2 O6 S Si -","- C66 H88 N4 O12 S2 Si2 -","2","1","","Breuning, M André; Harms, Klaus; Koert, Ulrich","The imidato-alkenyllithium route for the synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2011","13","6","1402","1405","10.1021/ol200085g","","x-ray","0.71073","MoKα","","0.0433","0.0336","","","0.0865","0.0893","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502023","15.266","0.003","14.002","0.003","13.444","0.003","90","","93.68","0.03","90","","2867.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C128 H120 N8 O8 S8 -","8","2","","Li, Yuye; Shi, Yi; Huang, Zhongxing; Wu, Xinhu; Xu, Pengfei; Wang, Jianbo; Zhang, Yan","Catalytic thia-Sommelet-Hauser rearrangement: application to the synthesis of oxindoles.","Organic letters","2011","13","5","1210","1213","10.1021/ol200091k","","","0.71073","MoKα","","0.1018","0.0435","","","0.0923","0.1245","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502024","8.1141","0.0018","12.333","0.003","12.54","0.003","75.603","0.005","79.653","0.005","86.555","0.005","1195.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 S -","- C27 H19 Cl N2 O6 S -","- C54 H38 Cl2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0913","0.07","","","0.2115","0.2307","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502025","8.2699","0.0009","11.008","0.0011","13.4496","0.0013","90.216","0.006","96.142","0.005","106.895","0.004","1164","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F N2 O6 S -","- C27 H19 F N2 O6 S -","- C54 H38 F2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0933","0.0459","","","0.1072","0.1267","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502026","8.685","0.0003","12.5559","0.0004","13.1495","0.0004","65.376","0.002","76.518","0.002","70.244","0.002","1219.64","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O8 S -","- C28 H20 N2 O8 S -","- C56 H40 N4 O16 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0589","0.0409","","","0.1096","0.1215","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502027","8.4428","0.0006","10.0656","0.0007","32.412","0.002","90","","90","","90","","2754.4","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Br O4 -","- C29 H41 Br O4 -","- C116 H164 Br4 O16 -","4","1","","Lin, Hongkun; Pochapsky, Susan S.; Krauss, Isaac J.","A short asymmetric route to the bromophycolide A and D skeleton.","Organic letters","2011","13","5","1222","1225","10.1021/ol200099n","","","0.71073","MoKα","","0.0427","0.0331","","0.0673","0.0657","0.0673","","","","","","0.9653","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502028","8.3737","0.0003","12.6257","0.0005","21.4999","0.0008","90","","90","","90","","2273.05","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O -","- C34 H20 N2 O -","- C136 H80 N8 O4 -","4","1","","Chen, Jinshui; Captain, Burjor; Takenaka, Norito","Helical chiral 2,2'-bipyridine N-monoxides as catalysts in the enantioselective propargylation of aldehydes with allenyltrichlorosilane.","Organic letters","2011","13","7","1654","1657","10.1021/ol200102c","","","0.71073","MoKα","","0.045","0.0391","","","0.106","0.1122","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502029","8.096","0.004","6.072","0.003","14.533","0.007","90","","98.522","0.007","90","","706.5","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Hara, Noriyuki; Tamura, Ryota; Funahashi, Yasuhiro; Nakamura, Shuichi","N-(heteroarenesulfonyl)prolinamides-catalyzed aldol reaction between acetone and aryl trihalomethyl ketones.","Organic letters","2011","13","7","1662","1665","10.1021/ol2001039","","","0.7107","MoKα","","","0.0338","","","","0.0632","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502030","7.1137","0.0012","32.608","0.005","7.7093","0.0013","90","","94.914","0.003","90","","1781.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N O3.5 -","- C19 H26 N O3.5 -","- C76 H104 N4 O14 -","4","2","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0574","0.04","","","0.0874","0.0931","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502031","7.7687","0.0003","6.0916","0.0002","14.9497","0.0006","90","","98.117","0.004","90","","700.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C26 H40 N2 O8 -","2","1","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0743","0.0693","","","0.206","0.2115","","","","","","1.12","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502032","9.3686","0.0014","12.1651","0.0018","12.2768","0.0018","65.465","0.002","81.937","0.002","81.928","0.002","1255","0.3","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H31 B -","- C32 H31 B -","- C64 H62 B2 -","2","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.0629","0.0462","","","0.1217","0.1352","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502033","8.148","0.012","23.74","0.03","12.404","0.018","90","","92.161","0.016","90","","2398","6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 B N -","- C31 H30 B N -","- C124 H120 B4 N4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2376","0.1279","","","0.3261","0.3848","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502034","13.196","0.015","13.291","0.015","15.96","0.018","90","","98.526","0.013","90","","2768","5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N O -","- C31 H32 B N O -","- C124 H128 B4 N4 O4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2209","0.0982","","","0.2132","0.2674","","","","","","0.915","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502035","8.4225","0.0004","13.77","0.0007","11.5762","0.0005","90","","104.075","0.002","90","","1302.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Mulzer, Michael; Coates, Geoffrey W.","A catalytic route to ampakines and their derivatives.","Organic letters","2011","13","6","1426","1428","10.1021/ol200111a","","","0.71073","MoKα","","0.0523","0.0401","","","0.0962","0.1032","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502036","21.849","0.003","12.3571","0.0015","16.732","0.002","90","","100.169","0.002","90","","4446.5","1","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0892","0.0596","","","0.1889","0.2014","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502037","14.9549","0.0018","17.96","0.002","14.706","0.0017","90","","116.038","0.002","90","","3549","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1261","0.0603","","","0.1598","0.1928","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502038","15.6502","0.0011","13.1606","0.001","37.823","0.003","90","","90","","90","","7790.3","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C384 H352 N32 O48 -","16","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1569","0.0718","","","0.1987","0.2572","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502039","11.5671","0.0011","8.642","0.0008","21.537","0.002","90","","101.217","0.002","90","","2111.8","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.088","0.0611","","","0.1944","0.2151","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502040","11.998","0.001","6.7769","0.0006","11.9999","0.001","90","","93.718","0.001","90","","973.65","0.14","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 I N2 O2 -","- C23 H19 I N2 O2 -","- C46 H38 I2 N4 O4 -","2","0.5","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0394","0.0346","","","0.0967","0.1004","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502041","5.7147","0.0013","11.254","0.002","14.617","0.003","109.34","0.01","93.58","0.011","101.96","0.012","859","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0485","0.043","","","0.0828","0.0854","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502042","5.8183","0.0009","11.251","0.0015","14.411","0.002","72.27","0.007","82.26","0.008","76.86","0.007","872.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0517","0.0463","","","0.0967","0.0994","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502043","12.116","0.002","6.5574","0.0013","17.062","0.003","90","","104.09","0.03","90","","1314.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0683","0.0614","","","0.1709","0.184","","","","","","1.23","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502044","25.707","0.005","51.276","0.01","5.6218","0.0011","90","","90","","90","","7410","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0648","0.0586","","","0.1345","0.1392","","","","","","1.082","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502045","7.879","0.0016","20.374","0.004","11.622","0.002","90","","98.79","0.03","90","","1843.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0894","0.079","","","0.1657","0.172","","","","","","1.169","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502046","23.497","0.005","52.752","0.011","5.7732","0.0012","90","","90","","90","","7156","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0737","0.0679","","","0.1658","0.1705","","","","","","1.168","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502047","9.486","0.009","26.43","0.02","20.531","0.019","90","","102.677","0.012","90","","5022","8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B F S -","- C30 H34 B F S -","- C240 H272 B8 F8 S8 -","8","2","","Zhao, Haiyan; Gabbaï, François P","Nucleophilic fluorination reactions starting from aqueous fluoride ion solutions.","Organic letters","2011","13","6","1444","1446","10.1021/ol200129q","","","0.71073","MoKα","","0.1286","0.0731","","","0.1878","0.2132","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502048","3.79021","0.00012","12.8608","0.0004","13.5027","0.0004","94.054","0.002","92.358","0.002","91.872","0.002","655.57","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 N2 -","- C20 H10 N2 -","- C40 H20 N4 -","2","1","","Katsuta, Shuhei; Miyagi, Daichi; Yamada, Hiroko; Okujima, Tetsuo; Mori, Shigeki; Nakayama, Ken-ichi; Uno, Hidemitsu","Synthesis, properties, and ambipolar organic field-effect transistor performances of symmetrically cyanated pentacene and naphthacene as air-stable acene derivatives.","Organic letters","2011","13","6","1454","1457","10.1021/ol200145r","","","1.54187","CuKα","","0.1141","0.0677","","","0.1502","0.1776","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502049","5.1827","0.0001","8.0456","0.0002","20.4481","0.0005","90","","90","","90","","852.64","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0383","0.0319","","","0.0794","0.0833","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502050","21.3138","0.0006","9.4146","0.0003","13.7762","0.0004","90","","97.58","0.001","90","","2740.19","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O12 S2 -","- C23 H32 N2 O12 S2 -","- C92 H128 N8 O48 S8 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0436","0.0389","","","0.0977","0.1011","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502051","7.7364","0.0015","13.139","0.003","24.286","0.005","90","","90","","90","","2468.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br N2 O3 S3 -","- C22 H25 Br N2 O3 S3 -","- C88 H100 Br4 N8 O12 S12 -","4","1","","Liu, Xiaodong; Deng, Leijiao; Song, Hongjin; Jia, Huazhen; Wang, Rui","Asymmetric aza-Mannich addition: synthesis of modified chiral 2-(ethylthio)-thiazolone derivatives with anticancer potency.","Organic letters","2011","13","6","1494","1497","10.1021/ol200185h","","","0.71073","MoKα","","0.0645","0.0386","","","0.0737","0.0827","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502052","17.248","0.005","8.517","0.003","13.924","0.004","90","","101.35","0.006","90","","2005.5","1.1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O6 -","- C23 H20 N O6 -","- C92 H80 N4 O24 -","4","1","","Jung, Hyo Sung; Ko, Kyoung Chul; Kim, Gun-Hee; Lee, Ah-Rah; Na, Yun-Cheol; Kang, Chulhun; Lee, Jin Yong; Kim, Jong Seung","Coumarin-based thiol chemosensor: synthesis, turn-on mechanism, and its biological application.","Organic letters","2011","13","6","1498","1501","10.1021/ol2001864","","","0.71073","MoKα","","0.1554","0.067","","","0.1658","0.1899","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502053","16.1277","0.0006","18.8951","0.0006","20.979","0.0015","90","","90","","90","","6393","0.6","123.1","","123.1","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Br Li N2 O8.5 P2 Ru -","- C70 H68 Br Li N2 O8.5 P2 Ru -","- C280 H272 Br4 Li4 N8 O34 P8 Ru4 -","4","1","","Kurono, Nobuhito; Yoshikawa, Tatsuya; Yamasaki, Mikio; Ohkuma, Takeshi","Enantioselective hydrocyanation of aldehydes catalyzed by [Li{Ru(phgly)2(binap)}]X (X = Cl, Br).","Organic letters","2011","13","5","1254","1257","10.1021/ol200187d","","","0.71075","MoKα","","","0.0465","","","","0.1113","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502054","12.528","0.001","12.7591","0.0009","16.6789","0.0013","90","","102.161","0.007","90","","2606.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5,5',5'-tetrafluoro-1,1',3,3',7,7',9,9',10,10' -decamethyl-5H,5'H-[2,2'-bidipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinine]-4,6'-diium-5,5'-diuide","","- C28 H32 B2 F4 N4 -","- C28 H32 B2 F4 N4 -","- C112 H128 B8 F16 N16 -","4","1","","Rihn, Sandra; Erdem, Mustafa; De Nicola, Antoinette; Retailleau, Pascal; Ziessel, Raymond","Phenyliodine(III) bis(trifluoroacetate) (PIFA)-promoted synthesis of Bodipy dimers displaying unusual redox properties.","Organic letters","2011","13","8","1916","1919","10.1021/ol200189y","","","1.54187","CuKα","","0.1436","0.0885","","","0.2291","0.2741","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502055","11.5971","0.0003","17.5177","0.0005","7.3754","0.0002","90","","102.439","0.003","90","","1463.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Brown, Michael J.; Clarkson, Guy J.; Inglis, Graham G.; Shipman, Michael","Synthesis and functionalization of 3-alkylidene-1,2-diazetidines using transition metal catalysis.","Organic letters","2011","13","7","1686","1689","10.1021/ol200193n","","","0.71073","MoKα","","0.0531","0.0405","","","0.1008","0.1047","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502056","7.7254","0.0007","8.2025","0.0007","29.583","0.003","90","","96.638","0.003","90","","1862","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Zhang, Xiaobing; Fu, Chunling; Ma, Shengming","Highly stereoselective facile synthesis of 2-acetoxy-1,3(E)-alkadienes via a Rh(I)-catalyzed isomerization of 2,3-allenyl carboxylates.","Organic letters","2011","13","8","1920","1923","10.1021/ol200198z","","","0.71073","MoKα","","0.0694","0.0608","","","0.1451","0.15","","","","","","1.185","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502057","9.3516","0.0007","17.7586","0.0014","8.2539","0.0007","90","","92.802","0.005","90","","1369.1","0.19","143","1","143","1","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 B F3 K N O2 S -","- C10 H14 B F3 K N O2 S -","- C40 H56 B4 F12 K4 N4 O8 S4 -","4","1","","Molander, Gary A.; Fleury-Brégeot, Nicolas; Hiebel, Marie-Aude","Synthesis and cross-coupling of sulfonamidomethyltrifluoroborates.","Organic letters","2011","13","7","1694","1697","10.1021/ol200202g","","","0.71073","MoKα","","0.0494","0.0425","","","0.1065","0.1154","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502058","5.4753","0.0011","22.659","0.005","13.406","0.003","90","","96.93","0.03","90","","1651.1","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","IB1","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Yin, Xiaodong; Li, Yongjun; Zhu, Yulan; Kan, Yuhe; Li, Yuliang; Zhu, Daoben","Synthesis of a pentalene centered polycyclic fused system.","Organic letters","2011","13","6","1520","1523","10.1021/ol200213h","","","0.71073","MoKα","","0.055","0.0503","","","0.1148","0.1188","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502059","9.248","0.0009","10.0534","0.001","13.1721","0.0013","73.028","0.004","89.186","0.004","81.101","0.004","1156.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N O6 -","- C25 H31 N O6 -","- C50 H62 N2 O12 -","2","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0971","0.0459","","","0.084","0.1001","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502060","12.4126","0.0006","8.9675","0.0005","21.4679","0.0011","90","","104.085","0.001","90","","2317.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0698","0.0402","","","0.0911","0.1081","","","","","","1.011","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502061","13.1053","0.0007","11.2478","0.0006","16.0248","0.0009","90","","96.924","0.002","90","","2344.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.068","0.04","","","0.0829","0.0962","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502062","12.4562","0.0007","14.7749","0.0009","15.534","0.001","96.833","0.005","108.722","0.005","109.903","0.005","2460.8","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C69 H54 -","- C69 H54 -","- C138 H108 -","2","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.1942","0.1094","","","0.2036","0.2464","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502063","14.4957","0.0001","23.2552","0.0003","22.2461","0.0003","90","","92.018","0.001","90","","7494.52","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C101 H82 O12 -","- C101 H82 O12 -","- C404 H328 O48 -","4","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.0738","0.0517","","","0.1394","0.1528","","","","","","1.044","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502064","8.611","0.01","9.94","0.011","14.072","0.016","101.868","0.008","101.616","0.012","108.946","0.011","1067","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C54 H44 N4 S2 -","2","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.7107","MoKα","","0.1948","0.1063","","","0.1708","0.2083","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502065","7.3583","0.0001","20.2268","0.0004","28.3714","0.0005","90","","90","","90","","4222.65","0.13","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H20 N2 S -","- C27 H20 N2 S -","- C216 H160 N16 S8 -","8","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.71075","MoKα","","","0.0667","","","","0.133","","","","","","1.189","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502066","15.4246","0.0003","5.5367","0.0001","20.8373","0.0004","90","","102.206","0.001","90","","1739.31","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O6 S -","- C15 H17 N3 O6 S -","- C60 H68 N12 O24 S4 -","4","1","","Li, Chaoqun; Zhang, Liming","Gold-catalyzed nitrene transfer to activated alkynes: formation of α,β-unsaturated amidines.","Organic letters","2011","13","7","1738","1741","10.1021/ol2002607","","","1.54178","CuKα","","0.0742","0.0705","","","0.1828","0.1857","","","","","","1.332","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502067","10.8154","0.0003","10.8724","0.0004","15.4707","0.0005","90","","90","","90","","1819.19","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O4 S -","- C16 H29 N O4 S -","- C64 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0304","0.0274","","","0.0718","0.074","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502068","5.6398","0.0005","15.691","0.0017","20.963","0.002","90","","90","","90","","1855.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0592","0.0353","","","0.0717","0.0817","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502069","7.2192","0.0005","11.2843","0.0008","17.5962","0.0016","104.861","0.004","91.043","0.004","106.942","0.003","1318.66","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H27 N O4 S -","- C16 H27 N O4 S -","- C48 H81 N3 O12 S3 -","3","3","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0338","0.0294","","","0.073","0.0762","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502070","12.1844","0.0003","12.7928","0.0003","13.5732","0.0004","90","","90","","90","","2115.69","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 I N O2 S -","- C23 H20 I N O2 S -","- C92 H80 I4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.027","0.0239","","","0.0562","0.058","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502071","8.0511","0.0002","14.6698","0.0004","16.0269","0.0005","90","","90","","90","","1892.91","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 S -","- C21 H22 Br N O2 S -","- C84 H88 Br4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0395","0.0299","","","0.0603","0.0628","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502072","14.10697","0.00016","20.6425","0.0002","8.61563","0.00007","90","","91.6541","0.0009","90","","2507.85","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 I N2 O5 S -","- C27 H23 I N2 O5 S -","- C108 H92 I4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0361","0.0283","","","0.0965","0.1058","","","","","","0.839","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502073","12.71437","0.00013","9.95279","0.00011","19.7029","0.0002","90","","98.5892","0.001","90","","2465.31","0.05","100","0.2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br N2 O5 S -","- C27 H23 Br N2 O5 S -","- C108 H92 Br4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0656","0.0538","","","0.1942","0.2023","","","","","","1.531","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502074","12.6694","0.0002","9.812","0.0003","19.7705","0.0003","90","","97.0594","0.0015","90","","2439.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl N2 O5 S -","- C27 H23 Cl N2 O5 S -","- C108 H92 Cl4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0518","0.0413","","","0.1403","0.1539","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502075","7.5727","0.0008","22.554","0.002","7.842","0.0008","90","","112.26","0.01","90","","1239.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O2 S2 -","- C12 H8 N2 O2 S2 -","- C48 H32 N8 O8 S8 -","4","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0402","","","","0.1117","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502076","5.046","0.002","14.874","0.005","18.545","0.007","77.02","0.03","83.19","0.03","82.81","0.03","1339.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0911","","","","0.246","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502077","5.5539","0.001","9.0119","0.0017","14.952","0.003","90","","98.46","0.004","90","","740.2","0.2","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Troyer, Timothy L.; Muchalski, Hubert; Hong, Ki Bum; Johnston, Jeffrey N.","Origins of selectivity in Brønsted acid-promoted diazoalkane-azomethine reactions (the aza-Darzens aziridine synthesis).","Organic letters","2011","13","7","1790","1792","10.1021/ol200313m","","","0.71073","MoKα","","0.0689","0.0508","","","0.1235","0.1354","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502078","7.0978","0.0008","22.731","0.002","11.178","0.002","90","","117.72","0.01","90","","1596.5","0.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pierre, Cathleen; Baudoin, Olivier","Synthesis of polycyclic molecules by double C(sp2)-H/C(sp3)-H arylations with a single palladium catalyst.","Organic letters","2011","13","7","1816","1819","10.1021/ol200329e","","","0.7107","MoKα","","0.1103","0.0919","","0.2037","0.1943","0.2037","","","","","","1.0167","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502079","23.8893","0.001","5.446","0.0002","19.6525","0.0007","90","","112.514","0.005","90","","2361.95","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-[(E)-2-iodoethenyl]-9H-carbazole","","- C14 H10 I N -","- C14 H10 I N -","- C112 H80 I8 N8 -","8","1","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.04","0.0307","","","0.0772","0.0802","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502080","8.497","0.002","17.41","0.003","17.576","0.003","90.96","0.02","96.2","0.02","100.08","0.02","2543.3","0.9","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N O Si -","- C32 H29 N O Si -","- C128 H116 N4 O4 Si4 -","4","2","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.196","0.0889","","","0.1833","0.2314","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502081","13.5461","0.0007","5.6788","0.0003","16.1132","0.0008","90","","92.787","0.002","90","","1238.05","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C48 H44 N4 O12 S8 -","4","1","","Dong, Yanmei; Bolduc, Andréanne; McGregor, Nicholas; Skene, W. G.","Push-pull aminobithiophenes–highly fluorescent stable fluorophores.","Organic letters","2011","13","7","1844","1847","10.1021/ol200353k","","","1.54178","CuKα","","0.0276","0.0262","","","0.0713","0.0724","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502082","10.065","0.003","5.1868","0.0014","18.275","0.005","90","","98.279","0.003","90","","944.1","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br F2 N O2 -","- C22 H16 Br F2 N O2 -","- C44 H32 Br2 F4 N2 O4 -","2","1","","Kashikura, Wataru; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective synthesis of β-amino-α,α-difluoro carbonyl compounds.","Organic letters","2011","13","7","1860","1863","10.1021/ol200374m","","","0.71073","MoKα","","0.0656","0.0464","","","0.0978","0.1053","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502083","12.3469","0.0017","20.475","0.003","8.4258","0.0011","90","","90.67","0.004","90","","2129.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C104 H120 N8 O16 -","4","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0788","0.0583","","","0.1633","0.1729","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502084","11.542","0.002","12.157","0.003","15.623","0.003","90","","90","","90","","2192.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.085","0.055","","","0.1507","0.1688","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502085","11.217","0.003","10.848","0.003","18.81","0.005","90","","100.54","0.006","90","","2250.2","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0667","0.0405","","","0.0853","0.0955","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502086","19.6684","0.0017","6.0152","0.0005","26.14","0.002","90","","90","","90","","3092.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 O -","- C18 H26 O -","- C144 H208 O8 -","8","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","0.71073","MoKα","","0.0694","0.0525","","","0.1434","0.1573","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502087","8.4054","0.001","6.9528","0.0008","31.194","0.004","90","","92.883","0.004","90","","1820.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","1.54178","CuKα","","0.0432","0.0426","","","0.1054","0.1057","","","","","","1.054","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502088","5.8014","0.0003","8.9652","0.0004","26.0067","0.001","90","","90","","90","","1352.63","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-phenylpropan-1-one","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Rohr, Kerstin; Mahrwald, Rainer","Stereoselective direct amine-catalyzed decarboxylative aldol addition.","Organic letters","2011","13","7","1878","1880","10.1021/ol200412r","","","0.71073","MoKα","","0.0493","0.0413","","","0.1085","0.12","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502089","6.224","0.003","17.136","0.007","49.434","0.019","90","","90","","90","","5272","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 S -","- C16 H18 Br N O4 S -","- C192 H216 Br12 N12 O48 S12 -","12","3","","Terada, Masahiro; Ando, Kenichi","Enantioselective direct vinylogous Michael addition of functionalized furanones to nitroalkenes catalyzed by an axially chiral guanidine base.","Organic letters","2011","13","8","2026","2029","10.1021/ol200415u","","","0.71073","MoKα","","0.0861","0.0698","","","0.1491","0.1569","","","","","","1.146","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502090","8.2616","0.0008","18.2223","0.0016","34.406","0.004","90","","90","","90","","5179.7","0.9","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine","","- C25 H27 F3 N2 O2 S Si -","- C25 H27 F3 N2 O2 S Si -","- C200 H216 F24 N16 O16 S8 Si8 -","8","1","","Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent","Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.","Organic letters","2011","13","8","2030","2033","10.1021/ol200417p","","","0.71073","MoKα","","0.0738","0.0626","","","0.1628","0.1761","","","","","","1.085","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502091","8.3963","0.0004","11.4021","0.0005","26.4261","0.0012","90","","90","","90","","2529.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C120 H132 N4 O16 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.0682","0.0459","","","0.1055","0.1231","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502092","8.39","0.005","22.555","0.015","23.123","0.017","90","","90","","90","","4376","5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Cl2 N4 O12 -","- C47 H50 Cl2 N4 O12 -","- C188 H200 Cl8 N16 O48 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.2795","0.0986","","","0.1819","0.2462","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502093","8.1184","0.0005","10.0564","0.0006","10.6131","0.0006","102.882","0.002","95.326","0.002","100.637","0.002","821.99","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0499","0.041","","","0.1183","0.13","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502094","9.3002","0.0004","12.6601","0.0005","18.6031","0.0009","90","","92.463","0.002","90","","2188.33","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0949","0.0585","","","0.1609","0.1952","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502095","9.5185","0.0003","10.7567","0.0004","16.0768","0.0005","90","","90","","90","","1646.07","0.1","93.1","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","1","","Takita, Satoshi; Yokoshima, Satoshi; Fukuyama, Tohru","A practical synthesis of (-)-kainic acid.","Organic letters","2011","13","8","2068","2070","10.1021/ol200434a","","","1.54187","CuKα","","","0.0348","","","","0.0933","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502096","9.6153","0.0005","11.8618","0.0006","12.3299","0.0006","64.011","0.001","89.001","0.001","75.068","0.001","1213.99","0.11","125","2","125","2","","","","","","","","5","P -1","-P 1","2","2-(3-acetonitrilethiophene)AQ","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1132","0.122","","","","","","1.021","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502097","8.2245","0.0004","17.4342","0.0009","18.3495","0.0009","90","","92.703","0.001","90","","2628.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CE-bithiophene-monomer","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0567","0.0427","","","0.114","0.1242","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502098","13.554","0.004","11.791","0.003","14.702","0.004","90","","110.179","0.004","90","","2205.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CE-Bithiophene-Dimer","","","- C52 H50 O12 S2 -","- C52 H50 O12 S2 -","- C104 H100 O24 S4 -","2","0.5","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0883","0.0526","","","0.1245","0.1427","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502099","20.8115","0.0018","17.7466","0.0015","8.0099","0.0007","90","","90","","90","","2958.3","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CE-terthiophene","","","- C34 H30 O6 S3 -","- C34 H30 O6 S3 -","- C136 H120 O24 S12 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0591","0.0447","","","0.1028","0.1114","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502100","10.044","0.003","13.134","0.005","13.209","0.007","119.345","0.006","102.449","0.007","99.743","0.005","1403.7","1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","2-(N-2-cyanoethylpyrrole)AQ","","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.1513","0.0626","","","0.1207","0.141","","","","","","0.803","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502101","6.534","0.0003","8.6083","0.0004","13.4229","0.0006","88.568","0.002","78.057","0.002","70.267","0.002","694.45","0.06","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0368","0.0358","","","0.0863","0.0872","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502102","9.3811","0.0005","9.7531","0.0005","13.3506","0.0007","90","","100.17","0.002","90","","1202.32","0.11","123","1","123","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0366","0.0346","","","0.0878","0.0899","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502103","11.01","0.005","18.968","0.008","33.023","0.015","90","","90","","90","","6896","5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 B4 N2 O15 -","- C67 H92 B4 N2 O15 -","- C268 H368 B16 N8 O60 -","4","1","","Teraoka, Takuro; Hiroto, Satoru; Shinokubo, Hiroshi","Iridium-catalyzed direct tetraborylation of perylene bisimides.","Organic letters","2011","13","10","2532","2535","10.1021/ol2004534","","","0.71073","MoKα","","0.2252","0.0918","","","0.224","0.3186","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502104","10.7654","0.0002","19.089","0.0003","23.5235","0.0003","90","","90","","90","","4834.1","0.13","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H29.5 N1.5 O3.5 P -","- C25.5 H29.5 N1.5 O3.5 P -","- C204 H236 N12 O28 P8 -","8","2","","Ingle, Gajendrasingh K.; Liang, Yuxue; Mormino, Michael G.; Li, Guilong; Fronczek, Frank R.; Antilla, Jon C.","Chiral magnesium BINOL phosphate-catalyzed phosphination of imines: access to enantioenriched α-amino phosphine oxides.","Organic letters","2011","13","8","2054","2057","10.1021/ol200456y","","","1.54178","CuKα","","0.03","0.028","","","0.068","0.07","","","","","","1.03","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502105","35.653","0.0008","6.9183","0.0002","14.1033","0.0004","90","","112.256","0.0012","90","","3219.52","0.15","150","","150","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley","Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones.","Organic letters","2011","13","8","2074","2077","10.1021/ol200478p","","","0.71073","MoKα","","0.0568","0.0406","","0.0969","0.0891","0.0969","","","","","","0.9509","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502106","23.457","0.003","23.757","0.005","26.589","0.005","89.981","0.016","70.807","0.01","81.113","0.015","13805","4","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H81 O6 -","- C93 H80.5 O6 -","- C744 H644 O48 -","8","4","","Venkataramana, Gandikota; Dongare, Prateek; Dawe, Louise N.; Thompson, David W.; Zhao, Yuming; Bodwell, Graham J.","1,8-Pyrenylene-ethynylene macrocycles.","Organic letters","2011","13","9","2240","2243","10.1021/ol200485x","","","0.71075","MoKα","","0.226","0.1321","","","0.3022","0.3531","","","","","","1.38","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502107","13.5","0.003","15.178","0.003","11.351","0.002","90","","90","","90","","2325.9","0.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0581","0.0373","","","","0.0924","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502108","8.8027","0.0002","9.9264","0.0002","13.7092","0.0003","90","","90","","90","","1197.9","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0258","0.0245","","","","0.0632","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502109","8.0746","0.0001","10.5381","0.0001","19.0147","0.0003","90","","98","0.001","90","","1602.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0761","0.0461","","","0.1074","0.1261","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502110","10.7398","0.0003","8.2057","0.0002","25.488","0.0009","90","","90","","90","","2246.2","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O5 Si -","- C22 H31 N O5 Si -","- C88 H124 N4 O20 Si4 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","1.54184","CuKα","","0.0534","0.0391","","","0.0854","0.0919","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502111","12.146","0.0016","12.8011","0.0015","18.387","0.003","90","","90","","90","","2858.9","0.7","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0433","0.03","","","0.0546","0.0567","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502112","7.5572","0.0008","8.5747","0.0009","17.595","0.003","90","","90","","90","","1140.2","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0559","0.0504","","","0.1219","0.1251","","","","","","1.134","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502113","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H36 O5 S4 -","- C82 H72 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1072","0.1021","","","0.2658","0.2874","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502114","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H32 O5 S4 -","- C84 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1078","0.0975","","","0.2933","0.3189","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502115","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43.04 H32 O5 S4 -","- C86.08 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1298","0.1216","","","0.3761","0.4127","","","","","","2.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502116","15.8002","0.0007","15.8002","0.0007","8.3491","0.0007","90","","90","","90","","2084.3","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H52 O6 S4 -","- C42 H36 O6 S4 -","- C84 H72 O12 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1124","0.105","","","0.3192","0.3539","","","","","","1.682","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502117","15.401","0.008","15.401","0.008","21.204","0.01","90","","90","","90","","5029","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C49 H66 O10 S4 -","- C49 H30 O10 S4 -","- C196 H120 O40 S16 -","4","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1152","0.1094","","","0.2935","0.2993","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502118","11.1147","0.0006","6.7725","0.0003","14.8896","0.0011","90","","108.29","0.004","90","","1064.18","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 N O S Si -","- C22 H25 N O S Si -","- C44 H50 N2 O2 S2 Si2 -","2","1","","Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin","Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.","Organic letters","2011","13","8","2094","2097","10.1021/ol200509c","","","1.54178","CuKα","","0.0449","0.0412","","","0.0982","0.1016","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502119","13.2943","0.0007","7.4099","0.0004","27.6216","0.0014","90","","90","","90","","2721","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam","Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.","Organic letters","2011","13","8","2102","2105","10.1021/ol200523a","","","0.71073","MoKα","","0.0952","0.0497","","","0.1191","0.1369","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502120","6.366","0.004","22.34","0.014","9.457","0.006","90","","96.44","0.01","90","","1336.5","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 Si2 -","- C30 H26 O2 Si2 -","- C60 H52 O4 Si4 -","2","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.1309","0.0764","","","0.1628","0.1876","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502121","7.419","0.003","7.535","0.003","16.904","0.006","87.087","0.006","82.826","0.006","79.38","0.006","921.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0744","0.0553","","","0.1412","0.1587","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502122","9.047","0.0011","10.1467","0.0012","13.3148","0.0016","79.768","0.002","78.065","0.002","69.549","0.002","1113","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0597","0.0469","","","0.1188","0.1301","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502123","10.5159","0.0007","12.1257","0.0008","12.5652","0.0008","86.115","0.001","75.775","0.001","74.108","0.001","1493.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl2 N O6 P -","- C33 H26 Cl2 N O6 P -","- C66 H52 Cl4 N2 O12 P2 -","2","1","","Deng, Jie-Cheng; Chuang, Shih-Ching","Three-component and nonclassical reaction of phosphines with enynes and aldehydes: formation of γ-lactones featuring α-phosphorus ylides.","Organic letters","2011","13","9","2248","2251","10.1021/ol200527t","","","0.71073","MoKα","","0.053","0.0438","","","0.1111","0.1194","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502124","14.2399","0.0015","8.1577","0.0009","15.2401","0.0016","90","","94.049","0.005","90","","1765.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1114","0.0625","","","0.1716","0.1937","","","","","","1.079","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502125","7.531","0.0009","13.2092","0.0014","25.014","0.003","91.805","0.005","91.456","0.005","95.53","0.005","2474.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I N3 O2 -","- C29 H22 I N3 O2 -","- C116 H88 I4 N12 O8 -","4","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1498","0.0593","","","0.1034","0.1198","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502126","17.8364","0.0019","13.0324","0.0014","21.83","0.003","90","","99.141","0.005","90","","5010","1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 I2 N6 O4 -","- C58 H44 I2 N6 O4 -","- C232 H176 I8 N24 O16 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1673","0.0713","","","0.1437","0.1663","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502127","11.1705","0.0012","25.888","0.003","9.2658","0.001","90","","95.121","0.005","90","","2668.8","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 I2 N3 O2 -","- C29 H21 I2 N3 O2 -","- C116 H84 I8 N12 O8 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.094","0.0516","","","0.1078","0.1205","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502128","25.06","0.003","8.2435","0.0009","23.26","0.003","90","","91.409","0.005","90","","4803.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O2.5 -","- C29 H24 N3 O2.5 -","- C232 H192 N24 O20 -","8","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1903","0.0678","","","0.1355","0.163","","","","","","0.939","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502129","13.4654","0.0014","14.177","0.0015","18.8934","0.0019","72.059","0.005","73.5","0.005","64.793","0.005","3055.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H69 Cl4 N11 O5 Zn2 -","- C46 H34 Cl4 N6 Zn2 -","- C92 H68 Cl8 N12 Zn4 -","2","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1129","0.0716","","","0.1905","0.2067","","","","","","0.941","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502130","30.119","0.004","20.405","0.003","16.284","0.0017","90","","100.895","0.005","90","","9827","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H68 Cu4 N20 O28 -","- C92 H68 Cu4 N20 O28 -","- C368 H272 Cu16 N80 O112 -","4","0.5","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.0984","0.088","","","0.2543","0.2662","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502131","8.4451","0.0003","10.5706","0.0004","11.3837","0.0006","73.5179","0.0016","74.6237","0.0014","73.8917","0.001","916.83","0.07","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C42 H46 Cl2 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Yoshida, Tetsuya; Imori, Yoichiro; Yamaguchi, Ryohei","Dehydrogenative oxidation of primary and secondary alcohols catalyzed by a Cp*Ir complex having a functional C,N-chelate ligand.","Organic letters","2011","13","9","2278","2281","10.1021/ol2005424","","","0.71075","MoKα","","","0.0235","","","","0.0325","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502132","5.0939","0.0004","11.4983","0.001","12.4598","0.0011","113.914","0.001","99.967","0.002","95.827","0.002","645.01","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Singh, Anand; Roth, Gregory P.","A [3+2] dipolar cycloaddition route to 3-hydroxy-3-alkyl oxindoles: an approach to pyrrolidinoindoline alkaloids.","Organic letters","2011","13","8","2118","2121","10.1021/ol200547m","","","0.71073","MoKα","","0.0394","0.0359","","","0.0937","0.0967","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502133","10.774","0.0006","14.2273","0.0008","19.8345","0.0011","90","","90","","90","","3040.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Br N2 O7 -","- C32 H29 Br N2 O7 -","- C128 H116 Br4 N8 O28 -","4","1","","Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing","Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade.","Organic letters","2011","13","9","2290","2293","10.1021/ol200550y","","","0.71073","MoKα","","0.0752","0.0438","","","0.1119","0.126","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502134","9.705","0.004","23.07","0.009","10.283","0.004","90","","113.342","0.004","90","","2113.9","1.5","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro[6,10-dimethyl-15b-phosphanaphtho [1,8-ab]perylene-kappaP15b] gold(I)","","","- C28 H19 Au Cl P -","- C28 H19 Au Cl P -","- C112 H76 Au4 Cl4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0471","0.0341","","","","0.0711","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502135","8.854","0.003","17.03","0.005","12.111","0.004","90","","96.124","0.005","90","","1815.7","1","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C26 H15 P S -","- C26 H15 P S -","- C104 H60 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0836","0.0478","","","","0.0979","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502136","9.4741","0.0017","12.37","0.003","17.179","0.004","90","","90","","90","","2013.3","0.8","173.1","","173.1","","","","","","","","","4","P n a 21","P 2c -2n","33","6,10-dimethyl-15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C28 H19 P S -","- C28 H19 P S -","- C112 H76 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0252","0.0233","","","","0.055","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502137","8.1709","0.0008","11.9296","0.0008","20.3704","0.0018","90.222","0.003","93.98","0.005","91.528","0.008","1980.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene","","","- C30 H19 P S -","- C30 H19 P S -","- C120 H76 P4 S4 -","4","2","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.71075","MoKα","","0.1658","0.0937","","","0.201","0.2419","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502138","7.2044","0.0015","20.622","0.004","13.225","0.003","90","","102.745","0.003","90","","1916.4","0.7","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,10-dimethyl-15b-(oxophospha)naphtho[1,8-ab]perylene","","","- C28 H19 O P -","- C28 H19 O P -","- C112 H76 O4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0559","0.0473","","","","0.1429","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502139","11.8709","0.0017","18.0107","0.0017","9.9332","0.0015","90","","117.349","0.0087","90","","1886.4","0.5","80","","80","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene","","","- C28 H19 P -","- C28 H19 P -","- C112 H76 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","powder diffraction","","1.3","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502140","8.8401","0.0013","13.1944","0.0019","15.906","0.002","95.193","0.007","98.155","0.007","96.746","0.007","1812.9","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","2","","Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diasteroselective preparation of cyclopropanols using methylene bis(iodozinc).","Organic letters","2011","13","9","2346","2349","10.1021/ol200597h","","","0.71073","MoKα","","0.0526","0.042","","","0.0993","0.1047","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502141","23.306","0.007","5.8518","0.0019","17.515","0.006","90","","91.215","0.005","90","","2388.2","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Br N O2 -","- C28 H26 Br N O2 -","- C112 H104 Br4 N4 O8 -","4","1","","Cao, Ziping; Liu, Yilin; Liu, Zhaoqun; Feng, Xiangqing; Zhuang, Minyang; Du, Haifeng","Pd-catalyzed asymmetric allylic alkylation of indoles and pyrroles by chiral alkene-phosphine ligands.","Organic letters","2011","13","9","2164","2167","10.1021/ol200602x","","","0.71073","MoKα","","0.0465","0.0411","","","0.0973","0.1078","","","","","","1.193","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502142","9.7809","0.0004","15.4141","0.0006","13.4965","0.0005","90","","97.714","0.001","90","","2016.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N2 Rh -","- C21 H30 Br N2 Rh -","- C84 H120 Br4 N8 Rh4 -","4","1","","Kim, Hyun Jin; Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed O-arylation of aryl bromides.","Organic letters","2011","13","9","2368","2371","10.1021/ol200603c","","","0.71073","MoKα","","0.0958","0.05","","","0.1108","0.1846","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502143","9.6818","0.0004","14.3637","0.0005","15.1077","0.0006","90","","90","","90","","2100.97","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine.","Organic letters","2011","13","10","2544","2547","10.1021/ol200625h","","","0.71073","MoKα","","0.0399","0.0362","","0.0904","0.0883","0.0904","","","","","","1.0132","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502144","5.997","0.006","19.04","0.019","14.366","0.015","90","","90.985","0.013","90","","1640","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie","Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.","Organic letters","2011","13","10","2552","2555","10.1021/ol200629y","","","0.71073","MoKα","","0.0601","0.0547","","","0.1426","0.1457","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502145","8.42633","0.00015","25.5835","0.0005","27.259","0.0005","80.7938","0.0016","85.1722","0.0015","83.6729","0.0015","5752.06","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O S3 -","- C21 H22 O S3 -","- C252 H264 O12 S36 -","12","6","","Nielsen, Christian B.; Fraser, Jamie M.; Schroeder, Bob C.; Du, Junping; White, Andrew J. P.; Zhang, Weimin; McCulloch, Iain","Benzotrithiophene‒a planar, electron-rich building block for organic semiconductors.","Organic letters","2011","13","9","2414","2417","10.1021/ol200643z","","","1.54184","CuKα","","0.1304","0.1193","","","0.2702","0.2744","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502146","8.066","0.005","8.898","0.005","34.816","0.005","90","0.005","90","0.005","90","0.005","2499","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O8 -","- C24 H25 Br N2 O8 -","- C96 H100 Br4 N8 O32 -","4","1","","Cheng, Mou-Nuo; Wang, Hao; Gong, Liu-Zhu","Asymmetic organocatalytic 1,3-dipolar cycloaddition of azomethine ylide to methyl 2-(2-nitrophenyl)acrylate for the synthesis of diastereoisomers of spirotryprostatin A.","Organic letters","2011","13","9","2418","2421","10.1021/ol200652j","","","0.71073","MoKα","","0.092","0.0499","","","0.1274","0.132","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502147","13.6059","0.0004","12.3268","0.0003","20.1794","0.0006","90","","105.299","0.002","90","","3264.5","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H17 F10 N3 -","- C40 H17 F10 N3 -","- C160 H68 F40 N12 -","4","1","","Anju, K. S.; Ramakrishnan, S.; Srinivasan, A.","meso-Aryl triphyrin(2.1.1).","Organic letters","2011","13","9","2498","2501","10.1021/ol200668a","","","0.71073","MoKα","","0.0994","0.0533","","","0.1546","0.1945","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502148","10.424","0.019","16.83","0.003","7.934","0.015","90","","94.025","0.019","90","","1388","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Qian, Bo; Xie, Pan; Xie, Yinjun; Huang, Hanmin","Iron-catalyzed direct alkenylation of 2-substituted azaarenes with N-sulfonyl aldimines via C-H bond activation.","Organic letters","2011","13","10","2580","2583","10.1021/ol200684b","","","0.71073","MoKα","","0.0895","0.0468","","","0.1035","0.1246","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502149","14.897","0.002","7.9148","0.0013","14.525","0.002","90","","90","","90","","1712.6","0.4","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 Br N2 O2 S -","- C15 H21 Br N2 O2 S -","- C60 H84 Br4 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0763","0.0446","","","0.096","0.1067","","","","","","0.975","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502150","9.2012","0.0005","10.9019","0.0006","20.4358","0.0011","90","","101.081","0.001","90","","2011.71","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0459","0.0414","","","0.109","0.1126","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502151","14.8341","0.001","8.296","0.0006","15.3758","0.001","90","","109.739","0.001","90","","1781","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C76 H104 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.04","0.0377","","","0.1026","0.1045","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502152","8.1392","0.001","9.2199","0.0011","10.1987","0.0012","101.018","0.001","99.441","0.001","93.082","0.001","738.19","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C28 H38 N6 O4 S2 -","2","1","","Meza-Aviña, Maria Elena; Patel, Mudita Kishor; Lee, Cylivia B.; Dietz, Thomas J.; Croatt, Mitchell P.","Selective formation of 1,5-substituted sulfonyl triazoles using acetylides and sulfonyl azides.","Organic letters","2011","13","12","2984","2987","10.1021/ol200696q","","","0.71073","MoKα","","0.044","0.0411","","","0.1115","0.1146","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502153","16.766","0.016","9.077","0.008","12.502","0.012","90","","107.494","0.01","90","","1815","3","103","","103","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 F3 N O3 S -","- C17 H22 F3 N O3 S -","- C68 H88 F12 N4 O12 S4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.7107","MoKα","","","0.045","","","","0.0747","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502154","8.9833","0.0002","10.722","0.0003","13.0616","0.0004","90","","90","","90","","1258.08","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.71075","MoKα","","","0.0229","","","","0.062","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502155","10.1029","0.0002","12.3851","0.0002","30.521","0.0006","90","","90","","90","","3818.95","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C192 H168 O36 -","12","3","","Hodgson, David M.; Talbot, Eric P. A.; Clark, Barry P.","Stereoselective synthesis of β-(hydroxymethylaryl/alkyl)-α-methylene-γ-butyrolactones.","Organic letters","2011","13","10","2594","2597","10.1021/ol200711f","","","1.54178","CuKα","","0.0404","0.0364","","","0.0964","0.1004","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502156","5.0952","0.0003","9.0989","0.0006","15.5967","0.001","90","","94.019","0.001","90","","721.3","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C34 H32 Cl2 N2 O2 -","2","1","","Klauber, Eric G.; Mittal, Nisha; Shah, Tejas K.; Seidel, Daniel","A dual-catalysis/anion-binding approach to the kinetic resolution of allylic amines.","Organic letters","2011","13","9","2464","2467","10.1021/ol200712b","","","0.71073","MoKα","","0.0374","0.0359","","","0.0889","0.0899","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502157","5.768","0.002","16.473","0.006","18.703","0.007","90","","92.573","0.004","90","","1775.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I N -","- C22 H16 I N -","- C88 H64 I4 N4 -","4","1","","Ali, Shaukat; Zhu, Hai-Tao; Xia, Xiao-Feng; Ji, Ke-Gong; Yang, Yan-Fang; Song, Xian-Rong; Liang, Yong-Min","Electrophile-driven regioselective synthesis of functionalized quinolines.","Organic letters","2011","13","10","2598","2601","10.1021/ol2007154","","","0.71073","MoKα","","0.0704","0.0411","","","0.066","0.0744","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502158","9.8593","0.0005","11.3699","0.0006","11.6474","0.0006","67.803","0.004","76.579","0.004","89.515","0.004","1171.33","0.11","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 N2 O3 S2 -","- C24 H24 N2 O3 S2 -","- C48 H48 N4 O6 S4 -","2","2","","Chen, Wen-Bing; Wu, Zhi-Jun; Hu, Jing; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic direct asymmetric aldol reactions of 3-isothiocyanato oxindoles to ketones: stereocontrolled synthesis of spirooxindoles bearing highly congested contiguous tetrasubstituted stereocenters.","Organic letters","2011","13","9","2472","2475","10.1021/ol200724q","","","1.54184","CuKα","","0.0468","0.0443","","","0.1231","0.1272","","","","","","1.029","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502159","6.8788","0.0004","11.8664","0.0007","28.2929","0.0016","90","","92.305","0.001","90","","2307.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0694","0.0646","","","0.161","0.1649","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502160","9.2454","0.0008","9.7345","0.0008","12.6526","0.001","92.626","0.002","90.209","0.002","90.577","0.002","1137.46","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0801","0.0582","","","0.1155","0.1256","","","","","","0.989","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502161","30.462","0.002","13.2317","0.0008","7.6817","0.0005","90","","95.312","0.004","90","","3082.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C160 H176 O16 -","8","2","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","1.54178","CuKα","","0.1104","0.0971","","","0.2769","0.2837","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502162","32.487","0.003","7.6214","0.0008","10.9285","0.0011","90","","90","","90","","2705.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H84 N4 O20 -","- C56 H80.02 N4 O20 -","- C112 H160.04 N8 O40 -","2","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0849","0.0532","","","0.1053","0.1295","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502163","30.274","0.003","12.6304","0.0013","9.3737","0.001","90","","97.186","0.002","90","","3556.1","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H56 N2 O2 -","- C38 H56 N2 O2 -","- C152 H224 N8 O8 -","4","1","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0772","0.0576","","","0.1437","0.1619","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502164","16.953","0.002","20.663","0.003","11.0738","0.0016","90","","107.751","0.002","90","","3694.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H56 Cu N2 O2.5 -","- C38 H54 Cu N2 O2 -","- C152 H216 Cu4 N8 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0561","0.0452","","","0.1152","0.1211","","","","","","1.078","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502165","16.768","0.003","20.434","0.003","11.1052","0.0018","90","","107.415","0.003","90","","3630.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 N2 Ni O2 -","- C38 H54 N2 Ni O2 -","- C152 H216 N8 Ni4 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0641","0.0487","","","0.1085","0.1161","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502166","14.0325","0.0015","10.2155","0.0011","26.161","0.003","90","","102.382","0.001","90","","3662.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 N2 O2.5 Pd -","- C39.5 H57 N2 O2.5 Pd -","- C158 H228 N8 O10 Pd4 -","4","2","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0339","0.0306","","","0.0673","0.0696","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502167","25.618","0.005","11.614","0.002","13.245","0.003","90","","99.86","0.03","90","","3882.5","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 O3 Si -","- C18 H34 O3 Si -","- C144 H272 O24 Si8 -","8","1","","Xu, Tao; Li, Chuang-chuang; Yang, Zhen","A concise approach for the total synthesis of pseudolaric acid A.","Organic letters","2011","13","10","2630","2633","10.1021/ol200741j","","","0.71073","MoKα","","0.078","0.0458","","","0.0953","0.0992","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502168","12.112","0.002","18.039","0.004","16.191","0.003","90","","94.77","0.03","90","","3525.3","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 S2 Si2 -","- C34 H46 N2 S2 Si2 -","- C136 H184 N8 S8 Si8 -","4","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.0922","0.0433","","","0.0637","0.0703","","","","","","0.994","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502169","7.7416","0.0015","13.653","0.003","17.403","0.004","96.55","0.03","96.65","0.03","101.67","0.03","1771.3","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 S2 Si2 -","- C38 H48 N2 S2 Si2 -","- C76 H96 N4 S4 Si4 -","2","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1777","0.0737","","","0.1645","0.1964","","","","","","0.826","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502170","6.7507","0.0019","13.625","0.004","33.905","0.01","85.906","0.008","89.31","0.009","83.324","0.008","3089.5","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 S2 Si2 -","- C32 H36 N2 S2 Si2 -","- C128 H144 N8 S8 Si8 -","4","2","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1358","0.1216","","","0.3056","0.3146","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502171","10.3359","0.0006","14.861","0.001","19.5709","0.0011","90","","90","","90","","3006.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O3 -","- C38 H39 N O3 -","- C152 H156 N4 O12 -","4","1","","Luan, Yi; Schaus, Scott E.","Multicomponent Mannich reactions with boron enolates derived from diazo esters and 9-BBN.","Organic letters","2011","13","9","2510","2513","10.1021/ol200766t","","","0.71073","MoKα","","0.0665","0.0437","","","0.084","0.0929","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502172","6.0074","0.0001","19.0009","0.0004","15.4033","0.0004","90","","90.4817","0.001","90","","1758.16","0.07","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O S -","- C20 H28 O S -","- C80 H112 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.065","0.0451","","","0.1184","0.1276","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502173","12.688","0.003","13.956","0.003","13.485","0.003","90","","113.862","0.002","90","","2183.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O S -","- C24 H36 O S -","- C96 H144 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.072","0.0457","","","0.1032","0.1143","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502174","5.954","0.0018","14.788","0.004","9.915","0.003","90","","92.977","0.005","90","","871.8","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0656","0.0461","","","0.1125","0.1209","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502175","12.824","0.002","11.2004","0.0016","14.99","0.002","90","","101.963","0.002","90","","2106.3","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O2 -","- C24 H36 O2 -","- C96 H144 O8 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0624","0.0496","","","0.1285","0.1365","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502176","5.9123","0.0018","9.604","0.003","16.264","0.005","102.265","0.005","94.527","0.005","97.214","0.004","889.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O S -","- C20 H30 O S -","- C40 H60 O2 S2 -","2","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0665","0.0464","","","0.1197","0.1341","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502177","9.585","0.002","15.461","0.003","23.811","0.005","90","","90","","90","","3528.6","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H58 O2 S2 -","- C40 H58 O2 S2 -","- C160 H232 O8 S8 -","4","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0884","0.072","","","0.1249","0.1321","","","","","","1.142","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502178","11.481","0.004","15.622","0.006","12.848","0.005","90","","92.794","0.006","90","","2301.6","1.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H31 O10.5 -","- C23 H31 O10.5 -","- C92 H124 O42 -","4","2","","Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng","Virgatolides A–C, Benzannulated Spiroketals from the Plant Endophytic Fungus Pestalotiopsis virgatula","Organic letters","2011","13","10","2670","2673","10.1021/ol200770k","","","0.71073","MoKα","","0.0539","0.0469","","","0.1051","0.1081","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502179","5.8625","0.0003","14.4664","0.0007","14.8726","0.0007","90","","98.613","0.003","90","","1247.11","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O S -","- C13 H21 N O S -","- C52 H84 N4 O4 S4 -","4","1","","Glass, Richard S.; Schöneich, Christian; Wilson, George S.; Nauser, Thomas; Yamamoto, Takuhei; Lorance, Edward; Nichol, Gary S.; Ammam, Malika","Neighboring pyrrolidine amide participation in thioether oxidation. Methionine as a ""hopping"" site.","Organic letters","2011","13","11","2837","2839","10.1021/ol200793z","","","0.71073","MoKα","","0.0466","0.0332","","","0.0844","0.092","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502180","3.9157","0.0002","11.6386","0.0005","29.2309","0.0011","90","","91.618","0.002","90","","1331.62","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.078","0.0719","","","0.2025","0.2069","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502181","16.095","0.002","7.1088","0.0009","7.0468","0.0009","90","","102.5","0.007","90","","787.16","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.0647","0.0621","","","0.1608","0.1636","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502182","8.4027","0.0013","13.081","0.002","13.958","0.002","90","","99.794","0.003","90","","1511.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F4 N4 -","- C36 H32 B2 F4 N4 -","- C72 H64 B4 F8 N8 -","2","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0677","0.0573","","","0.1619","0.171","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502183","7.602","0.002","24.077","0.006","14.334","0.004","90","","102.602","0.005","90","","2560.4","1.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 B F2 N4 O4 -","- C30 H23 B F2 N4 O4 -","- C120 H92 B4 F8 N16 O16 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0881","0.0605","","","0.1337","0.1484","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502184","57.842","0.005","7.955","0.005","29.332","0.005","90","0.005","113.676","0.005","90","0.005","12361","8","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H140 B4 Cl6 F8 N16 -","- C138 H140 B4 Cl6 F8 N16 -","- C552 H560 B16 Cl24 F32 N64 -","4","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.1571","0.0545","","","0.116","0.1536","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502185","7.676","0.005","24.661","0.005","14.676","0.005","90","0.005","100.684","0.005","90","0.005","2730","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 B F2 N4 O2 -","- C32 H29 B F2 N4 O2 -","- C128 H116 B4 F8 N16 O8 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.146","0.0794","","","0.1503","0.1739","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502186","49.52","0.06","4.861","0.006","40.62","0.05","90","","116.289","0.015","90","","8767","19","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 O -","- C23 H14 O -","- C552 H336 O24 -","24","3","","Xiao, Jinchong; Yang, Bo; Wong, Jen It; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Teng, Xue; Wu, Yuechao; Huang, Ling; Kloc, Christian; Boey, Freddy; Ma, Jan; Zhang, Hua; Yang, Hui Ying; Zhang, Qichun","Synthesis, characterization, self-assembly, and physical properties of 11-methylbenzo[d]pyreno[4,5-b]furan.","Organic letters","2011","13","12","3004","3007","10.1021/ol2008186","","","0.71073","MoKα","","0.1504","0.0788","","","0.2083","0.2513","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502187","5.7541","0.0003","12.5905","0.0007","28.0403","0.0015","90","","90","","90","","2031.44","0.19","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C88 H88 Br8 O16 -","8","2","","Tan, Chong Kiat; Zhou, Ling; Yeung, Ying-Yeung","Aminothiocarbamate-catalyzed asymmetric bromolactonization of 1,2-disubstituted olefinic acids.","Organic letters","2011","13","10","2738","2741","10.1021/ol200840e","","","0.71073","MoKα","","0.0438","0.0352","","","0.0783","0.0811","","","","","","0.992","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502188","6.423","0.0004","7.4429","0.0005","17.9557","0.0012","90","","90.051","0.006","90","","858.39","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0516","0.0407","","","0.0894","0.0921","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502189","6.4067","0.0002","13.1037","0.0004","21.1126","0.0006","90","","90","","90","","1772.43","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C84 H88 O8 S4 -","4","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0373","0.0316","","","0.072","0.075","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502190","12.9107","0.0004","15.5761","0.0004","17.5681","0.0004","90","","94.303","0.0015","90","","3522.96","0.16","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B2 N O6 -","- C35 H51 B2 N O6 -","- C140 H204 B8 N4 O24 -","4","1","","Battagliarin, Glauco; Li, Chen; Enkelmann, Volker; Müllen, Klaus","2,5,8,11-Tetraboronic ester perylenediimides: a next generation building block for dye-stuff synthesis.","Organic letters","2011","13","12","3012","3015","10.1021/ol2008457","","","0.71073","MoKα","","0.0957","0.069","","0.0961","0.0794","0.0794","","","","","","1.0304","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502191","15.6","0.002","15.6","0.002","33.184","0.007","90","","90","","120","","6993.7","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H42 N4 O4.5 -","- C60 H42 N4 O4.5 -","- C360 H252 N24 O27 -","6","0.333333","","Zhou, Ying; Jung, Ji Young; Jeon, Hye Ryeong; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","A novel supermolecular tetrameric vanadate-selective colorimetric and ""off-on"" sensor with pyrene ligand.","Organic letters","2011","13","10","2742","2745","10.1021/ol200846a","","","0.71073","MoKα","","0.202","0.1018","","","0.3049","0.3796","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502192","10.5344","0.0002","14.9966","0.0003","24.4556","0.0017","90","","96.476","0.007","90","","3838.8","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C184 H160 O32 S8 -","8","2","","Kuninobu, Yoichiro; Matsuzaki, Hironori; Nishi, Mitsumi; Takai, Kazuhiko","Rhenium-catalyzed regio- and stereoselective addition of two carbon units to terminal alkynes via carbon-carbon bond cleavage of β-keto sulfones.","Organic letters","2011","13","11","2959","2961","10.1021/ol2008507","","","1.54187","CuKα","","","0.056","","","","0.0871","","","","","","1.123","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502193","13.2069","0.0007","14.6494","0.0007","15.7541","0.0009","72.654","0.004","76.898","0.004","64.857","0.004","2616","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H48 Cl3 N5 Ni O4 -","- C67 H48 Cl3 N5 Ni O4 -","- C134 H96 Cl6 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1192","0.0899","","","0.2263","0.2462","","","","","","1.598","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502194","13.96","0.002","14.0133","0.0011","16.0894","0.0013","112.417","0.005","107.325","0.007","97.545","0.007","2668.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H45.65 N5 Ni O4 -","- C66 H45.65 N5 Ni O4 -","- C132 H91.3 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1262","0.0868","","","0.2548","0.2716","","","","","","1.652","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502195","22.2786","0.0013","13.2257","0.0005","17.1649","0.0011","90","","118.54","0.008","90","","4443.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 N2 O10 -","- C54 H58 N2 O10 -","- C216 H232 N8 O40 -","4","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0537","0.0399","","","0.1041","0.1099","","","","","","1.065","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502196","15.8655","0.0006","16.864","0.0007","19.0778","0.0007","69.1","0.004","79.47","0.003","77.127","0.004","4618.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H107 F24 N6 O14.5 P4 -","- C87 H104 F23.988 N6 O14.501 P3.998 -","- C174 H208 F47.976 N12 O29.002 P7.996 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.088","0.067","","","0.1882","0.2036","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502197","11.2453","0.0003","20.5407","0.0005","32.2584","0.001","90","","99.838","0.003","90","","7341.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H82 F12 N4 O13 P2 -","- C71 H82 F12 N4 O13 P2 -","- C284 H328 F48 N16 O52 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","0.71073","MoKα","","0.1045","0.0765","","","0.1912","0.208","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502198","11.8405","0.0003","21.1915","0.0005","14.7699","0.0004","90","","102.588","0.003","90","","3616.95","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H73.04 F12 N4 O10.52 P2 -","- C66 H72 F12 N4 O10.518 P2 -","- C132 H144 F24 N8 O21.036 P4 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0547","0.0512","","","0.1378","0.141","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502199","8.4887","0.0013","10.4646","0.0016","16.491","0.003","90","","90","","90","","1464.9","0.4","571","2","571","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.0996","0.0542","","","0.1007","0.1191","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502200","13.27","0.004","13.618","0.005","16.073","0.005","90","","90","","90","","2904.6","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C120 H184 O24 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.3375","0.0803","","","0.1159","0.1805","","","","","","0.898","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502201","8.6606","0.0004","7.5271","0.0004","11.6989","0.0005","90","","109.834","0.003","90","","717.4","0.06","93.1","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","","Satoh, Nobuhiro; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-salinosporamide A.","Organic letters","2011","13","12","3028","3031","10.1021/ol200886j","","","1.54187","CuKα","","","0.0537","","","","0.1617","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502202","8.054","0.007","15.351","0.013","17.569","0.015","78.327","0.016","87.401","0.017","88.636","0.014","2125","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 Br2 N Si2 -","- C43 H51 Br2 N Si2 -","- C86 H102 Br4 N2 Si4 -","2","1","","Song, Cheng-Li; Ma, Chong-Bo; Yang, Feng; Zeng, Wei-Jing; Zhang, Hao-Li; Gong, Xiong","Synthesis of tetrachloro-azapentacene as an ambipolar organic semiconductor with high and balanced carrier mobilities.","Organic letters","2011","13","11","2880","2883","10.1021/ol2008999","","","0.71073","MoKα","","0.3335","0.0945","","","0.1976","0.2607","","","","","","1.018","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502203","9.1415","0.0008","11.9955","0.0011","12.379","0.0011","114.061","0.002","92.973","0.002","103.834","0.002","1186.34","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Lage, Marta L.; Fernández, Israel; Sierra, Miguel A.; Torres, M. Rosario","Trapping intermediates in an [8 + 2] cycloaddition reaction with the help of DFT calculations.","Organic letters","2011","13","11","2892","2895","10.1021/ol200910z","","","0.71073","MoKα","","0.0682","0.0385","","","0.0921","0.1045","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502204","5.8864","0.0002","13.4539","0.0004","20.4973","0.0006","90","","90","","90","","1623.28","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0356","0.035","","","0.0949","0.0954","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502205","5.004","0.0001","20.1705","0.0004","15.9818","0.0003","90","","96.053","0.002","90","","1604.1","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0513","0.0397","","","0.0806","0.0857","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502206","8.6811","0.0003","13.9912","0.0004","48.0454","0.0015","90","","90","","90","","5835.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O3 Se -","- C23 H19 N O3 Se -","- C276 H228 N12 O36 Se12 -","12","3","","Marcos, Vanesa; Alemán, Jose; Ruano, Jose L Garcia; Marini, Francesca; Tiecco, Marcello","Asymmetric synthesis of α-alkyl α-selenocarbonyl compounds catalyzed by bifunctional organocatalysts.","Organic letters","2011","13","12","3052","3055","10.1021/ol200923p","","","1.54178","CuKα","","0.0287","0.0277","","","0.0673","0.0679","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502207","10.509","","13.97","","10.942","","90","","103","","90","","1565.23","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","2","","Sanchez Duque, Maria del Mar; Baslé, Olivier; Isambert, Nicolas; Gaudel-Siri, Anouk; Génisson, Yves; Plaquevent, Jean-Christophe; Rodriguez, Jean; Constantieux, Thierry","A Cooperative Participation of the Amido Group in the Organocatalytic Construction of All-Carbon Quaternary Stereocenters by Michael Addition with β-Ketoamides","Organic Letters","2011","13","13","3296","3299","10.1021/ol200924e","","x-ray","0.71073","MoKα","","0.1217","0.08","","","0.1992","0.2363","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502208","10.487","0.0008","11.7829","0.0008","12.0638","0.0008","90","","90","","90","","1490.69","0.18","293","2","292.85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Zhou, Lin; Lin, Lili; Ji, Jie; Xie, Mingsheng; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone.","Organic letters","2011","13","12","3056","3059","10.1021/ol200939t","","","0.7107","MoKα","","0.065","0.0475","","","0.1031","0.1146","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502209","15.457","0.002","15.457","0.002","42.11","0.008","90","","90","","120","","8713","2","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C258 H336 Cl24 N12 O24 Rh12 S12 -","6","1","","Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng","Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.","Organic letters","2011","13","13","3300","3303","10.1021/ol2009494","","","0.71073","MoKα","","0.0701","0.0646","","","0.166","0.1702","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502210","15.09","0.004","15.095","0.007","15.132","0.004","96.611","0.004","116.223","0.003","108.05","0.004","2808.6","1.7","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H84 O8 -","- C56 H84 O8 -","- C112 H168 O16 -","2","2","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A.; Chen, Xueyi; Dias, Jerry Ray","Bile Acid-Based Cage Compounds with Lipophilic Outer Shells and Inner Cavities","Organic Letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.0889","0.0756","","","0.2006","0.2132","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502211","18.3457","0.0009","24.3333","0.0012","24.9713","0.0012","90","","90","","90","","11147.5","0.9","173","2","173","2","","","","","","","chemical synthesis","4","C 2 2 21","C 2c 2","20","","cyclobis[7-O-(4-pentenoyl)chenodeoxycholate] chloroform-acetone solvate","","- C59.95 H91.375 Cl1.575 O8.475 -","- C59.95 H91.375 Cl1.575 O8.475 -","- C479.6 H731 Cl12.6 O67.8 -","8","1","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A; Chen, Xueyi; Dias, Jerry Ray","Bile acid-based cage compounds with lipophilic outer shells and inner cavities.","Organic letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.1299","0.0614","","","0.1296","0.1637","","","","1.127","1.127","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502212","12.322","0.002","10.019","0.002","15.678","0.003","90","","112.203","0.003","90","","1792","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","2","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.12","0.0609","","","0.1431","0.1626","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502213","8.7316","0.0008","11.9598","0.0011","16.9623","0.0015","90","","90","","90","","1771.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O7 -","- C17 H25 N O7 -","- C68 H100 N4 O28 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.0504","0.0397","","","0.1089","0.1215","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502214","8.7187","0.0002","10.0275","0.0002","12.7718","0.0003","90","","103.938","0.002","90","","1083.72","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C42 H54 N2 O14 -","2","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","1.54178","CuKα","","0.0561","0.0473","","","0.1449","0.16","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502215","9.897","0.006","11.401","0.008","24.683","0.016","90","","90","","90","","2785","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O8 -","- C31 H29 N O8 -","- C124 H116 N4 O32 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.1712","0.0781","","","0.1676","0.2127","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502216","9.2743","0.0002","20.2718","0.0004","10.6622","0.0002","90","","90.193","0.001","90","","2004.55","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Wang, Jingqi; Crane, Erika A.; Scheidt, Karl A.","Highly stereoselective Brønsted acid catalyzed synthesis of spirooxindole pyrans.","Organic letters","2011","13","12","3086","3089","10.1021/ol200987c","","","1.54178","CuKα","","0.0377","0.0322","","","0.096","0.1016","","","","","","0.728","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502217","21.881","0.003","21.881","0.003","21.626","0.003","90","","90","","120","","8967","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H32 O2 Si -","- C18 H32 O2 Si -","- C324 H576 O36 Si18 -","18","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.1242","0.0902","","","0.2521","0.2916","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502218","16.731","0.008","12.758","0.006","13.573","0.006","90","","104.046","0.01","90","","2811","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 O3 Si -","- C30 H43 O3 Si -","- C120 H172 O12 Si4 -","4","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.0976","0.0743","","","0.2026","0.2263","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502219","10.3798","0.0009","14.597","0.0014","18.4891","0.0018","90","","90","","90","","2801.4","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl F O4 -","- C30 H32 Cl F O4 -","- C120 H128 Cl4 F4 O16 -","4","1","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","","0.71069","MoKα","","0.0785","0.0631","","","0.147","0.1569","","","","","","1.158","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502220","8.37","0.0012","11.7321","0.0019","12.65","0.002","84.709","0.011","76.761","0.01","81.899","0.009","1194.8","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl F O4 -","- C11 H10 Cl F O4 -","- C44 H40 Cl4 F4 O16 -","4","2","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","x-ray","0.71069","MoKα","","0.0461","0.0414","","","0.1076","0.1123","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502221","15.9696","0.0015","11.2841","0.0011","9.6423","0.001","90","","96.361","0.003","90","","1726.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Br N2 O2 -","- C18 H23 Br N2 O2 -","- C72 H92 Br4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71075","MoKα","","0.0484","0.0351","","","0.0715","0.0775","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502222","16.431","0.002","9.5653","0.0012","14.1865","0.0015","90","","106.411","0.008","90","","2138.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N2 O2 -","- C23 H27 I N2 O2 -","- C92 H108 I4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71074","MoKα","","0.1255","0.0799","","","0.175","0.1929","","","","","","1.337","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502223","7.2964","0.0003","13.4415","0.0006","27.0296","0.0012","90","","90","","90","","2650.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 F6 N3 O3 -","- C30 H25 F6 N3 O3 -","- C120 H100 F24 N12 O12 -","4","1","","Knight, John D.; Sauer, Scott J.; Coltart, Don M.","Asymmetric total synthesis of the antimalarial drug (+)-mefloquine hydrochloride via chiral N-amino cyclic carbamate hydrazones.","Organic letters","2011","13","12","3118","3121","10.1021/ol2010193","","","0.71073","MoKα","","0.0459","0.0428","","","0.1002","0.1018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502224","12.1781","0.0003","18.093","0.0004","18.6755","0.0004","94.0274","0.0017","108.251","0.0019","99.0435","0.0017","3827.91","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H65 F15 N8 Ni O10 -","- C72 H65 F15 N8 Ni O10 -","- C144 H130 F30 N16 Ni2 O20 -","2","1","","Lo, Mamadou; Lefebvre, Jean-François; Leclercq, Dominique; van der Lee, Arie; Richeter, Sébastien","Stepwise fusion of porphyrin β,β'-pyrrolic positions to imidazole rings.","Organic letters","2011","13","12","3110","3113","10.1021/ol2010215","","","0.71073","MoKα","","0.09","0.0655","","0.1034","0.0746","0.0746","","","","","","0.9552","","","","has coordinates","288254","2023-12-12","15:21:32",""
"1502225","6.886","0.002","9.127","0.003","12.929","0.004","89.976","0.004","88.253","0.004","75.849","0.004","787.5","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","11018c","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C32 H40 N4 O8 S2 -","2","1","","Feltenberger, John B.; Hsung, Richard P.","Oppolzer-type intramolecular Diels-Alder cycloadditions via isomerizations of allenamides.","Organic letters","2011","13","12","3114","3117","10.1021/ol2010227","","","0.71073","MoKα","","0.0516","0.0418","","","0.1195","0.1252","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502226","10.792","0.009","15.356","0.012","17.73","0.014","90","","90","","90","","2938","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N2 O8 S -","- C29 H32 N2 O8 S -","- C116 H128 N8 O32 S4 -","4","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.109","0.0509","","","0.0994","0.1218","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502227","9.071","0.003","13.012","0.005","13.847","0.005","105.575","0.004","96.749","0.004","103.098","0.004","1505.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 N2 O6 S2 Si -","- C26 H38 N2 O6 S2 Si -","- C52 H76 N4 O12 S4 Si2 -","2","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.1119","0.0707","","","0.1783","0.1963","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502228","26.9423","0.0019","11.5811","0.0009","12.2531","0.0011","90","","98.789","0.006","90","","3778.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C144 H200 N8 O16 S8 Si8 -","8","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.1252","0.0531","","","0.1237","0.1494","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502229","11.2195","0.0009","12.8091","0.0007","13.7031","0.0012","92.225","0.006","91.911","0.007","92.52","0.005","1964.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.0931","0.0495","","","0.1183","0.1373","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502230","10.024","0.004","7.592","0.003","23.625","0.009","90","","93.264","0.004","90","","1795","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Zhang, Ling; Xie, Xingang; Liu, Jian; Qi, Jing; Ma, Donghui; She, Xuegong","Concise total synthesis of (±)-dasyscyphin D.","Organic letters","2011","13","11","2956","2958","10.1021/ol201047m","","","0.71073","MoKα","","0.0894","0.0513","","","0.1148","0.1332","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502231","10.7041","0.0002","6.703","0.0002","13.9287","0.0003","90","","92.639","0.002","90","","998.32","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Fe O7 Si -","- C17 H24 Fe O7 Si -","- C34 H48 Fe2 O14 Si2 -","2","1","","Palframan, Matthew J.; Kociok-Köhn, Gabriele; Lewis, Simon E.","Total synthesis of (+)-grandifloracin by iron complexation of a microbial arene oxidation product.","Organic letters","2011","13","12","3150","3153","10.1021/ol201057r","","","0.71073","MoKα","","0.0345","0.0272","","","0.0576","0.0603","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502232","32.8336","0.0013","3.9719","0.0002","25.7332","0.001","90","","103.456","0.002","90","","3263.8","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Br O3 -","- C21 H13 Br O3 -","- C168 H104 Br8 O24 -","8","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0397","0.0277","","","0.0766","0.1131","","","","","","0.717","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502233","14.7694","0.0009","9.5633","0.0007","17.9026","0.0016","90","","104.874","0.003","90","","2443.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.2267","0.1015","","","0.2623","0.332","","","","","","0.869","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502234","6.896","0.0002","8.462","0.0002","18.512","0.0006","86.812","0.001","86.196","0.001","82.011","0.001","1066.23","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O2 -","- C28 H20 Cl N O2 -","- C56 H40 Cl2 N2 O4 -","2","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0751","0.0536","","","0.143","0.1675","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502235","10.647","0.003","6.0513","0.0016","35.119","0.009","90","","97.762","0.005","90","","2241.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.1459","0.0611","","","0.1138","0.1479","","","","","","0.96","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502236","9.165","0.0011","18.929","0.002","30.39","0.004","90","","90","","90","","5272.2","1.1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H22 N4 O5 -","- C30 H22 N4 O5 -","- C240 H176 N32 O40 -","8","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.059","0.0476","","","0.1226","0.129","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502237","16.2244","0.0016","13.6922","0.0014","13.2558","0.0013","90","","109.666","0.002","90","","2773","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O7 -","- C32 H27 N3 O7 -","- C128 H108 N12 O28 -","4","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.0514","0.0398","","","0.1098","0.1214","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502238","14.4437","0.0002","5.7383","0.0001","19.0506","0.0003","90","","112.178","0.001","90","","1462.14","0.04","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Chlorophenyl)sulfinyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O3 S2 -","- C14 H13 Cl O3 S2 -","- C56 H52 Cl4 O12 S8 -","4","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.04","0.032","","","0.0875","0.0945","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502239","32.4723","0.0007","5.3295","0.0001","19.7631","0.0005","90","","123.424","0.001","90","","2854.58","0.11","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(4-Chlorophenyl)sulfanyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O2 S2 -","- C14 H13 Cl O2 S2 -","- C112 H104 Cl8 O16 S16 -","8","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.0375","0.0305","","","0.0809","0.0879","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502240","14.78","0.005","17.617","0.006","6.08","0.002","90","","90","","90","","1583.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane.","Organic letters","2011","13","12","3190","3193","10.1021/ol2011067","","","0.71073","MoKα","","0.0625","0.0586","","","0.1498","0.1533","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502241","6.9188","0.0003","27.2416","0.0013","14.3296","0.0007","90","","99.112","0.001","90","","2666.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N6 O8 -","- C28 H26 N6 O8 -","- C112 H104 N24 O32 -","4","1","","Ong, Wei Qiang; Zhao, Huaiqing; Fang, Xiao; Woen, Susanto; Zhou, Feng; Yap, Weiliang; Su, Haibin; Li, Sam F. Y.; Zeng, Huaqiang","Encapsulation of conventional and unconventional water dimers by water-binding foldamers.","Organic letters","2011","13","12","3194","3197","10.1021/ol2011083","","","0.71073","MoKα","","0.0786","0.0687","","","0.1771","0.1849","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502242","10.639","0.003","15.23","0.003","10.594","0.002","90","","107.204","0.004","90","","1639.8","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.","Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.","Organic letters","2011","13","12","3214","3217","10.1021/ol201122f","","","0.71073","MoKα","","0.0348","0.0332","","","0.075","0.0758","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502243","11.6158","0.0005","10.8562","0.0004","14.9637","0.0006","90","","98.5362","0.0005","90","","1866.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (1,3-dimethyl-2-oxo-4,5-diphenylcyclopentyl)acetate","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0419","0.0371","","","0.0976","0.1012","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502244","8.9761","0.0004","11.3076","0.0005","12.297","0.0005","63.7884","0.0005","78.2742","0.0005","73.1019","0.0005","1067.35","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C54 H52 O6 -","2","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0511","0.0384","","","0.0895","0.0968","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502245","10.0314","0.0008","10.7337","0.0009","14.5403","0.0012","77.379","0.001","77.553","0.001","84.994","0.001","1490.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O7 W -","- C32 H24 N2 O7 W -","- C64 H48 N4 O14 W2 -","2","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.0466","0.0404","","","0.0918","0.0944","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502246","10.8866","0.0013","24.184","0.003","12.4957","0.0015","90","","108.261","0.002","90","","3124.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cr N2 O6 -","- C33 H26 Cr N2 O6 -","- C132 H104 Cr4 N8 O24 -","4","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.1317","0.0502","","","0.1035","0.13","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502247","18.698","0.003","6.3535","0.0004","13.0976","0.0017","90","","123.74","0.009","90","","1293.9","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-difluoro-3-(4-methoxyphenyl)-2H-benzo[e][1,3,2] oxazaborinin-3-ium-2-uide","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C56 H48 B4 F8 N4 O8 -","4","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.1443","0.0849","","","0.2289","0.2804","","","","","","0.881","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502248","8.9782","0.0006","10.5876","0.0007","12.1442","0.0008","73.134","0.005","83.769","0.006","71.394","0.005","1046.84","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-methoxyphenyl)-2,2-diphenyl-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide","","- C26 H22 B N O2 -","- C26 H22 B N O2 -","- C52 H44 B2 N2 O4 -","2","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.0658","0.0461","","","0.1204","0.1497","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502249","5.03","0.002","8.843","0.004","11.54","0.005","90","","95.42","0.008","90","","511","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 N O -","- C10 H19 N O -","- C20 H38 N2 O2 -","2","1","","Song, Liyan; Liu, Kun; Li, Chaozhong","Efficient and regioselective 9-endo cyclization of α-carbamoyl radicals.","Organic letters","2011","13","13","3434","3437","10.1021/ol201180g","","","0.71073","MoKα","","0.0739","0.0703","","","0.1626","0.1644","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502250","8.9146","0.0001","8.5388","0.0002","10.1252","0.0002","90","","106.47","0.001","90","","739.11","0.02","180","2","180","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Stambuli1810","","","- C13 H26 O5 -","- C13 H26 O5 -","- C26 H52 O10 -","2","1","","Chellat, Mathieu F.; Proust, Nicolas; Lauer, Matthew G.; Stambuli, James P.","Synthesis of key fragments of leiodelide A.","Organic letters","2011","13","12","3246","3249","10.1021/ol201183f","","x-ray","0.71073","MoKα","","0.0443","0.0358","","","0.082","0.0865","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502251","10.3475","0.0007","26.926","0.0015","11.5981","0.0006","90","","107.361","0.006","90","","3084.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52 B F4 O10 P2 Rh -","- C54 H52 B F4 O10 P2 Rh -","- C108 H104 B2 F8 O20 P4 Rh2 -","2","1","","Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique","Efficient route to atropisomeric ligands–application to the synthesis of MeOBIPHEP analogues.","Organic letters","2011","13","12","3250","3253","10.1021/ol2011874","","","0.7107","MoKα","","0.0761","0.0637","","","0.1757","0.1831","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502252","6.0126","0.0003","10.4102","0.0005","10.6716","0.0005","65.453","0.006","88.454","0.006","84.712","0.007","604.96","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MOKα","","0.0436","0.0407","","","0.1122","0.1154","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502253","8.3176","0.0003","16.6568","0.0004","13.6584","0.0004","90","","90.566","0.007","90","","1892.21","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MoKα","","0.0503","0.039","","","0.0968","0.1061","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502254","9.135","0.006","10.753","0.007","13.533","0.008","78.378","0.008","85.363","0.008","84.178","0.008","1292.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1572","0.0822","","","0.1683","0.1992","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502255","14.625","0.005","18.877","0.006","15.507","0.006","90","","112.404","0.004","90","","3958","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1528","0.0532","","","0.1347","0.2007","","","","","","0.926","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502256","6.5965","0.0018","31.133","0.009","11.021","0.003","90","","100.454","0.002","90","","2225.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24.25 N2 O5 S -","- C24 H24.683 N2 O5 S -","- C96 H98.732 N8 O20 S4 -","4","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.0737","0.049","","","0.0947","0.106","","","","","","0.965","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502257","7.8508","0.0003","6.932","0.0003","10.6342","0.0004","90","","90.905","0.003","90","","578.66","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Peed, Jennifer; Domínguez, Ignacio Periñán; Davies, Iwan R.; Cheeseman, Matt; Taylor, James E.; Kociok-Köhn, Gabriele; Bull, Steven D.","Asymmetric synthesis of chiral δ-lactones containing multiple contiguous stereocenters.","Organic letters","2011","13","14","3592","3595","10.1021/ol2012023","","","0.71073","MoKα","","0.0516","0.0392","","","0.0911","0.0975","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502258","10.7469","0.0004","12.9651","0.0005","17.9436","0.0008","88.426","0.003","87.15","0.003","68.296","0.004","2319.94","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0646","0.0434","","","0.0986","0.1093","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502259","11.8881","0.0008","12.18","0.0007","12.2791","0.0007","110.189","0.005","102.272","0.005","113.776","0.006","1393.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O2 S -","- C34 H26 N2 O2 S -","- C68 H52 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0749","0.0444","","","0.0959","0.1098","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502260","9.6548","0.0007","10.4292","0.0008","12.491","0.001","102.367","0.007","103.256","0.006","95.325","0.006","1182.43","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C56 H44 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","1.54184","CuKα","","0.0494","0.0415","","","0.1092","0.1161","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502261","9.3604","0.0005","11.8162","0.0006","16.8778","0.001","96.449","0.004","100.349","0.004","112.149","0.004","1667.34","0.17","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0987","0.0514","","","0.1231","0.1439","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502262","12.203","0.002","12.71","0.003","15.086","0.003","96.685","0.013","92.7","0.013","114.363","0.012","2105.3","0.8","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H42 O2 -","- C58 H42 O2 -","- C116 H84 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0989","0.0484","","","0.1115","0.1305","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502263","12.969","0.004","8.948","0.002","15.068","0.004","90","","93.586","0.006","90","","1745.2","0.8","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C92 H68 O4 -","2","0.5","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1306","0.0544","","","0.1289","0.1625","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502264","14.327","0.004","20.05","0.004","18.357","0.004","90","","93.811","0.011","90","","5262","2","275","2","275","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H50 O2 -","- C70 H50 O2 -","- C280 H200 O8 -","4","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1535","0.0901","","","0.2472","0.3082","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502265","7.2726","0.0013","11.545","0.002","11.673","0.002","101.193","0.002","98.439","0.002","101.886","0.002","922.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","10154","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C38 H40 Br2 N2 O10 -","2","1","","Volp, Kelly A.; Johnson, Diane M.; Harned, Andrew M.","A concise synthetic approach to the sorbicillactones: total synthesis of sorbicillactone A and 9-epi-sorbicillactone A.","Organic letters","2011","13","17","4486","4489","10.1021/ol201211f","","","0.71073","MoKα","","0.0644","0.0384","","","0.0861","0.1001","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502266","5.8247","0.0005","13.4193","0.0012","19.193","0.0017","90","","90","","90","","1500.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0409","0.0386","","","0.1066","0.1084","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502267","5.5936","0.0005","13.6523","0.0012","20.192","0.0017","90","","90","","90","","1542","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.04","0.0363","","","0.0875","0.0897","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502268","10.4555","0.0008","12.6948","0.001","15.6289","0.0012","83.987","0.001","80.628","0.001","89.673","0.001","2035.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","2","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0773","0.0582","","","0.1625","0.1765","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502269","7.927","0.002","8.405","0.002","17.286","0.005","100.81","0.006","92.514","0.005","108.286","0.005","1067.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.1316","0.0767","","","0.2162","0.2527","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502270","7.646","0.003","8.643","0.003","14.822","0.003","78.542","0.011","86.513","0.015","63.789","0.008","860.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 F3 O4 -","- C19 H17 F3 O4 -","- C38 H34 F6 O8 -","2","1","","Kawatsura, Motoi; Namioka, Junya; Kajita, Koji; Yamamoto, Mitsuaki; Tsuji, Hiroaki; Itoh, Toshiyuki","Ruthenium-catalyzed regio- and stereoselective addition of carboxylic acids to aryl and trifluoromethyl group substituted unsymmetrical internal alkynes.","Organic letters","2011","13","12","3285","3287","10.1021/ol201238u","","","0.71075","MoKα","","","0.0466","","","","0.0994","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502271","11.5532","0.0007","12.746","0.0008","11.7436","0.0007","90","","91.738","0.002","90","","1728.53","0.18","173.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Yoshida, Masahiro; Sugimura, Chiyuki; Shishido, Kozo","Diastereoselective construction of 7-methylenebicyclo[3.2.1]oct-3-en-2-one derivatives by palladium-catalyzed cyclization of propargylic acetates with 2-oxocyclohex-3-enecarboxylates.","Organic letters","2011","13","13","3482","3485","10.1021/ol201243u","","","0.7107","MoKα","","","0.064","","","","0.093","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502272","10.1633","0.0002","9.93","0.0002","12.1706","0.0003","90","","96.277","0.001","90","","1220.91","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O3 -","- C23 H41 N5 O3 -","- C46 H82 N10 O6 -","2","1","","Medda, Amiya K.; Park, Chul Min; Jeon, Aram; Kim, Hyunwoo; Sohn, Jeong-Hun; Lee, Hee-Seung","A nonpeptidic reverse-turn scaffold stabilized by urea-based dual intramolecular hydrogen bonding.","Organic letters","2011","13","13","3486","3489","10.1021/ol201247x","","","0.71073","MoKα","","0.0417","0.0357","","","0.086","0.0904","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502273","9.928","0.003","10.295","0.003","17.911","0.005","90","","90","","90","","1830.7","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Shacklady-McAtee, Danielle M; Dasgupta, Srimoyee; Watson, Mary P.","Nickel(0)-catalyzed cyclization of N-benzoylaminals for isoindolinone synthesis.","Organic letters","2011","13","13","3490","3493","10.1021/ol201248c","","","0.71073","MoKα","","0.1002","0.0474","","","0.0819","0.098","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502274","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Nakamura, Itaru; Araki, Toshiharu; Zhang, Dong; Kudo, Yu; Kwon, Eunsang; Terada, Masahiro","Regioselective transformation of O-propargylic arylaldoximes to four-membered cyclic nitrones by copper-catalyzed skeletal rearrangement.","Organic letters","2011","13","14","3616","3619","10.1021/ol2012583","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502275","12.1885","0.0002","21.5857","0.0004","23.1276","0.0004","90","","90","","90","","6084.81","0.18","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C264 H336 N24 O24 S12 -","12","3","","Hatcher, John M.; Kohler, Mark C.; Coltart, Don M.","Catalytic asymmetric addition of thiols to nitrosoalkenes leading to chiral non-racemic α-sulfenyl ketones.","Organic letters","2011","13","15","3810","3813","10.1021/ol2012633","","","0.71073","MoKα","","0.0582","0.0449","","","0.0987","0.1048","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502276","6.3321","0.0001","9.3119","0.0001","21.7921","0.0004","90","","90","","90","","1284.95","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0176","0.0166","","","0.0409","0.0418","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502277","9.1006","0.0001","10.0753","0.0002","14.3954","0.0002","90","","90","","90","","1319.93","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0173","0.0161","","","0.0399","0.0406","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502278","10.36","0.03","14.78","0.04","13.66","0.04","90","","102.5","0.03","90","","2042","10","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N3 O5 -","- C18 H17 Br N3 O5 -","- C72 H68 Br4 N12 O20 -","4","1","","Zhang, Gen; Zhang, Yaohu; Jiang, Xianxing; Yan, Wenjin; Wang, Rui","Highly enantioslective synthesis of multisubstituted polyfunctional dihydropyrrole via an organocatalytic tandem Michael/cyclization sequence.","Organic letters","2011","13","15","3806","3809","10.1021/ol201299u","","","0.71073","MoKα","","0.1381","0.0594","","","0.119","0.1545","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502279","8.5637","0.0013","12.1843","0.0018","15.3","0.002","90","","90","","90","","1596.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Kuang, Yulong; Liu, Xiaohua; Chang, Lu; Wang, Min; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric conjugate allylation of coumarins.","Organic letters","2011","13","15","3814","3817","10.1021/ol201312y","","","1.54186","CuKα","","0.0352","0.0338","","","0.0718","0.0726","","","","","","1.15","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502280","10.4374","0.0004","10.5171","0.0004","11.037","0.0005","104.297","0.004","97.447","0.004","117.915","0.004","993.96","0.09","90","2","90","2","","","","","","","","2","P -1","-P 1","2","Compound 1","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.044","0.04","","","0.1162","0.1209","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502281","10.0288","0.0004","15.9042","0.0006","15.9492","0.0006","115.647","0.002","107.906","0.002","91.763","0.002","2142.01","0.15","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Compound 5a","","","- C61 H38 Cl2 -","- C61 H38 Cl2 -","- C122 H76 Cl4 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.0585","0.0462","","","0.1197","0.1284","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502282","9.144","0.0018","8.9795","0.0018","11.155","0.002","90","","91.71","0.03","90","","915.5","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N0 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","Yang, Haishen; Gao, Yuzhe; Qiao, Xiaoxiao; Xie, Longguan; Xu, Xiaohua","Concise total synthesis of (-)-8-epigrosheimin.","Organic letters","2011","13","14","3670","3673","10.1021/ol201322w","","","0.71073","MoKα","","0.0393","0.0328","","","0.0784","0.081","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502283","10.645","0.002","10.645","0.002","22.016","0.006","90","","90","","120","","2160.5","0.8","123.1","","123.1","","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C90 H114 N6 O12 S6 -","6","1","","Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio","Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.","Organic letters","2011","13","14","3674","3677","10.1021/ol2013236","","","0.71075","MoKα","","","0.0448","","","","0.1224","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502284","9.9605","0.0002","11.4468","0.0003","13.0628","0.0003","111.413","0.002","100.86","0.0019","101.302","0.002","1303.38","0.06","100.3","","100.3","","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Br Cl3 N2 O2 -","- C27 H26 Br Cl3 N2 O2 -","- C54 H52 Br2 Cl6 N4 O4 -","2","2","","Jensen, Kim L.; Dickmeiss, Gustav; Donslund, Bjarke S.; Poulsen, Pernille H.; Jørgensen, Karl Anker","Asymmetric organocatalytic synthesis of complex cyclopenta[b]quinoline derivatives.","Organic letters","2011","13","14","3678","3681","10.1021/ol201328s","","x-ray","0.7107","MoKα","Kα","0.0362","0.0324","","","0.0793","0.0827","","","","","","1.009","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502285","10.376","0.003","7.525","0.002","11.906","0.004","90","","98.198","0.005","90","","920.1","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","Chinnar","","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Kurhade, Suresh E.; Sanchawala, Abbas I.; Ravikumar, Velayutham; Bhuniya, Debnath; Reddy, D. Srinivasa","Total synthesis of isofregenedadiol.","Organic letters","2011","13","14","3690","3693","10.1021/ol201336x","","","0.71073","MoKα","","0.0845","0.0537","","","0.1286","0.1434","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502286","10.3327","0.0006","15.1209","0.0008","11.5507","0.0006","90","","93.507","0.001","90","","1801.3","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka173","","- C22 H16 O4 Se -","- C22 H16 O4 Se -","- C88 H64 O16 Se4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0363","0.0307","","","0.0802","0.0832","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502287","10.2288","0.0006","14.8538","0.0008","11.6838","0.0006","90","","93.302","0.001","90","","1772.25","0.17","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka241","","- C22 H16 O4 S -","- C22 H16 O4 S -","- C88 H64 O16 S4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0485","0.0432","","","0.1023","0.1056","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502288","11.107","0.003","11.293","0.003","17.863","0.004","99.8139","0.0017","103.735","0.003","106.164","0.003","2022.2","0.9","113.1","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Cl2 N3 O9 Pd -","- C43 H47 Cl2 N3 O9 Pd -","- C86 H94 Cl4 N6 O18 Pd2 -","2","1","","Suzaki, Yuji; Shimada, Kyoichi; Chihara, Eriko; Saito, Takashi; Tsuchido, Yoshitaka; Osakada, Kohtaro","[3]Rotaxane-based dinuclear palladium catalysts for ring-closure Mizoroki-Heck reaction.","Organic letters","2011","13","15","3774","3777","10.1021/ol201357b","","","0.7107","MoKα","","","0.0403","","","","0.0475","","","","","","0.766","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502289","4.8822","0.0005","14.1165","0.0015","10.0699","0.0011","90","","93.89","0.002","90","","692.41","0.13","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 F2 N2 O5 -","- C15 H10 F2 N2 O5 -","- C30 H20 F4 N4 O10 -","2","1","","Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang","Planar macrocyclic fluoropentamers as supramolecular organogelators.","Organic letters","2011","13","15","3840","3843","10.1021/ol201361f","","","0.71073","MoKα","","0.0648","0.0552","","","0.1425","0.1498","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502290","11.1986","0.0002","12.092","0.0002","23.6","0.0004","90","","90","","90","","3195.76","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O14 -","- C29 H36 O14 -","- C116 H144 O56 -","4","1","","Shi, Yi-Ming; Li, Xing-Yao; Li, Xiao-Nian; Luo, Xiao; Xue, Yong-Bo; Liang, Cheng-Qin; Zou, Juan; Kong, Ling-Mei; Li, Yan; Pu, Jian-Xin; Xiao, Wei-Lie; Sun, Han-Dong","Schicagenins A-C: three cagelike nortriterpenoids from leaves and stems of Schisandra chinensis.","Organic letters","2011","13","15","3848","3851","10.1021/ol201366d","","","1.54178","CuKα","","0.0538","0.0527","","","0.1589","0.1606","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502291","9.1634","0.0018","15.94","0.003","28.513","0.006","90","","90","","90","","4164.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 Cl3 N2 O18 -","- C34 H43 Cl3 N2 O18 -","- C136 H172 Cl12 N8 O72 -","4","1","","Jung, Michael E.; Koch, Pierre","An efficient synthesis of the protected carbohydrate moiety of Brasilicardin A.","Organic letters","2011","13","14","3710","3713","10.1021/ol2013704","","","0.71073","MoKα","","0.077","0.0503","","","0.0992","0.1074","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502292","10.813","0.0007","6.7024","0.0004","20.2381","0.0011","90","","92.626","0.004","90","","1465.18","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K-75 2-chloro-3-(4-methoxyphenyl)-4-aminoquinazolinium chloride","","- C15 H13 Cl2 N3 O -","- C15 H13 Cl2 N3 O -","- C60 H52 Cl8 N12 O4 -","4","1","","Naganaboina, Vijaya Kumar; Chandra, Kusum Lata; Desper, John; Rayat, Sundeep","An easy entry into 2-halo-3-aryl-4(3H)-quinazoliniminium halides from heteroenyne-allenes.","Organic letters","2011","13","14","3718","3721","10.1021/ol201372n","","","0.71073","MoKα","","0.1058","0.0756","","","0.1805","0.1983","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502293","5.1581","0.0012","9.443","0.002","12.776","0.003","90","","94.844","0.016","90","","620.1","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Lin, Lili; Kuang, Yulong; Liu, Xiaohua; Feng, Xiaoming","Indium(III)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard-type diene with aliphatic aldehydes.","Organic letters","2011","13","15","3868","3871","10.1021/ol2013999","","","1.54186","CuKα","","0.1002","0.0668","","","0.1051","0.125","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502294","5.9124","0.0001","11.5275","0.0002","30.0634","0.0004","90","","90","","90","","2048.98","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, two new dimeric indolizidine alkaloids from Flueggea virosa.","Organic letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0242","0.0236","","","0.0597","0.0601","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502295","7.4783","0.0006","11.5713","0.0008","13.3812","0.0009","107.895","0.006","90.072","0.006","93.959","0.006","1098.97","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N2 O6.5 -","- C24 H31 N2 O6.5 -","- C48 H62 N4 O13 -","2","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa","Organic Letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0492","0.0441","","","0.1078","0.1172","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502296","14.318","0.003","14.58","0.003","33.48","0.007","96.488","0.004","91.367","0.004","114.487","0.004","6300","2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H63 N3 S18 -","- C54 H9 N3 S18 -","- C216 H36 N12 S72 -","4","2","","Takase, Masayoshi; Yoshida, Naofumi; Nishinaga, Tohru; Iyoda, Masahiko","Star-shaped pyrrole-fused tetrathiafulvalene oligomers: synthesis and redox, self-assembling, and conductive properties.","Organic letters","2011","13","15","3896","3899","10.1021/ol2014279","","","0.71073","MoKα","","0.3186","0.1044","","","0.1944","0.2993","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502297","9.892","0.002","11.591","0.002","14.767","0.003","90","","98.618","0.005","90","","1674","0.6","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H39 Cl N2 O3 S -","- C37 H33 Cl N2 O2 S -","- C74 H66 Cl2 N4 O4 S2 -","2","1","","Jung, Hyung Hoon; Buesking, Andrew W.; Ellman, Jonathan A.","Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines.","Organic letters","2011","13","15","3912","3915","10.1021/ol201438k","","","0.71075","MoKα","","0.1223","0.0738","","","0.1314","0.1479","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502298","9.7813","0.0005","7.8382","0.0004","18.103","0.001","90","","90.163","0.004","90","","1387.91","0.13","90","0.3","90","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N10 O13 -","- C23 H26 N10 O13 -","- C46 H52 N20 O26 -","2","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0656","0.0555","","","0.1382","0.145","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502299","7.9106","0.0002","11.5982","0.0003","22.2085","0.0006","90","","90","","90","","2037.6","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O8 -","- C19 H23 N3 O8 -","- C76 H92 N12 O32 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0262","0.026","","","0.0662","0.0664","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502300","53.785","0.003","8.059","0.0004","18.4575","0.0009","90","","107.258","0.003","90","","7640.3","0.7","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21.5 N6.5 O7 -","- C16 H21.5 N6.5 O7 -","- C256 H344 N104 O112 -","16","4","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0654","0.0533","","","0.1225","0.1305","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502301","6.8458","0.0002","8.1555","0.0003","27.3235","0.0009","90","","90","","90","","1525.5","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O7 -","- C13 H17 N3 O7 -","- C52 H68 N12 O28 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0233","0.0232","","","0.0626","0.0627","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502302","11.3164","0.0005","12.8458","0.0006","17.4968","0.0007","104.458","0.0013","99.5137","0.0013","92.1125","0.0014","2420.91","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H54 N O7 P2 Rh -","- C57 H54 N O7 P2 Rh -","- C114 H108 N2 O14 P4 Rh2 -","2","1","","Sakai, Kazunori; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov addition of secondary amines to arylacetylenes at room temperature.","Organic letters","2011","13","15","3928","3931","10.1021/ol201453h","","","0.71075","MoKα","","0.0712","0.0448","","","0.0805","0.1099","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502303","9.2779","0.0013","9.5225","0.0013","12.6163","0.0014","90.857","0.01","99.261","0.01","113.392","0.013","1005.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F O2 S2 -","- C23 H19 F O2 S2 -","- C46 H38 F2 O4 S4 -","2","1","","Chowdhury, Sushobhan; Nandi, Ganesh Chandra; Samai, Subhasis; Singh, Maya Shankar","Regioselective synthesis of tetrahydrothiochromen-5-ones via a one-pot three-component solvent-free domino protocol.","Organic letters","2011","13","14","3762","3765","10.1021/ol201458q","","","0.71073","MoKα","","0.1922","0.0853","","","0.1905","0.2663","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502304","8.3376","0.0002","10.1962","0.0002","16.0046","0.0003","77.913","0.001","85.229","0.001","89.651","0.001","1325.72","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O6 S3 -","- C27 H24 O6 S3 -","- C54 H48 O12 S6 -","2","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","0.71073","MoKα","","0.1021","0.0586","","","0.1552","0.1959","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502305","22.5627","0.0001","22.5627","0.0001","43.5749","0.0005","90","","90","","120","","19211","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C155 H135 Cl9 O2 S6 -","- C154.98 H135 Cl9 O1.99 S6 -","- C929.88 H810 Cl54 O11.94 S36 -","6","0.333333","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.085","0.0642","","","0.1852","0.2016","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502306","48.802","0.001","9.1918","0.0002","39.5359","0.0007","90","","123.36","0.002","90","","14812.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 S3 Si3 -","- C84 H96 S3 Si3 -","- C672 H768 S24 Si24 -","8","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.0658","0.0572","","","0.1584","0.1675","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502307","7.03389","0.00014","8.73956","0.00018","32.833","0.0007","90","","93.7759","0.0018","90","","2013.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O14 -","- C42 H50 N2 O14 -","- C84 H100 N4 O28 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.0452","0.041","","","0.1069","0.1108","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502308","20.4716","0.0003","12.92677","0.00017","26.7661","0.0004","90","","93.5313","0.0013","90","","7069.71","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H77 F18 N5 O15 P3 -","- C63 H77 F18 N5 O15 P3 -","- C252 H308 F72 N20 O60 P12 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.074","0.0638","","","0.1792","0.1892","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502309","10.4472","0.0003","31.1654","0.0017","21.6799","0.0009","90","","98.224","0.004","90","","6986.2","0.5","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 F12 N6 O14 P2 -","- C60 H66 F12 N6 O14 P2 -","- C240 H264 F48 N24 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.1292","0.0938","","","0.2604","0.2844","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502310","10.677","0.0002","31.7992","0.0007","21.0198","0.0005","90","","97.495","0.002","90","","7075.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.56 H76.33 F12 N6.78 O14 P2 -","- C67.556 H76.334 F12 N6.778 O14 P2 -","- C270.224 H305.336 F48 N27.112 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","0.71073","MoKα","","0.0913","0.0646","","","0.1619","0.1837","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502311","9.9829","0.0003","7.6696","0.0003","19.7014","0.0006","90","","93.905","0.002","90","","1504.93","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Briones, John F.; Davies, Huw M. L.","Silver triflate-catalyzed cyclopropenation of internal alkynes with donor-/acceptor-substituted diazo compounds.","Organic letters","2011","13","15","3984","3987","10.1021/ol201503j","","","1.54178","CuKα","","0.0369","0.0356","","","0.0932","0.0944","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502312","7.0411","0.0005","8.8042","0.0005","13.9063","0.0009","90","","92.013","0.004","90","","861.54","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Söderman, Stefan C; Schwan, Adrian L.","The diastereoselective alkylation of arenesulfenate anions using homochiral electrophiles.","Organic letters","2011","13","16","4192","4195","10.1021/ol201508e","","","0.71073","MoKα","","0.081","0.0544","","","0.1233","0.139","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502313","13.2033","0.0003","19.022","0.0004","30.5196","0.0006","87.879","0.002","86.34","0.002","75.761","0.002","7412.7","0.3","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H199 Cl2 N29 O14.93 -","- C156 H199 Cl2 N29 O14.93 -","- C312 H398 Cl4 N58 O29.86 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.5418","CuKα","","0.166","0.1493","","","0.3857","0.3947","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502314","13.2454","","13.5102","","29.984","","85.77","","83.333","","66.044","","4868.12","","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H149 I N25 O17 -","- C84.9999 H149 I N25 O17 -","- C170 H298 I2 N50 O34 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54178","CuKα","","0.1873","0.1504","","","0.1838","0.1876","","","","5.22","5.22","4.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502315","11.8221","0.0004","14.9512","0.0004","21.7562","0.0005","90.37","0.002","96.069","0.002","110.902","0.003","3568.27","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H79.59 N18 O8.79 -","- C80 H79.588 N18 O8.794 -","- C160 H159.176 N36 O17.588 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54184","CuKα","","0.0522","0.0398","","","0.1049","0.1116","","","","1.92","1.92","1.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502316","5.176","0.0002","9.5637","0.0004","44.8293","0.0018","90","","90","","90","","2219.13","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O5 S -","- C23 H24 Cl N O5 S -","- C92 H96 Cl4 N4 O20 S4 -","4","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.039","0.0384","","","0.1022","0.1027","","","","","","1.145","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502317","13.8192","0.0006","5.693","0.0002","14.7334","0.0006","90","","116.69","0.001","90","","1035.61","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.0235","0.0234","","","0.0609","0.0611","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502318","10.9585","0.0014","8.8553","0.0012","15.429","0.002","90","","109.564","0.002","90","","1410.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N2 -","- C18 H11 Cl N2 -","- C72 H44 Cl4 N8 -","4","1","","Wang, Chao; Flanigan, Darrin M.; Zakharov, Lev N.; Blakemore, Paul R.","Synthesis of 7,7'-dihydroxy-8,8'-biquinolyl (azaBINOL) via Pd-catalyzed directed double C-H functionalization of 8,8'-biquinolyl: emergence of an atropos from a tropos state.","Organic letters","2011","13","15","4024","4027","10.1021/ol201539d","","","0.71073","MoKα","","0.0597","0.0514","","","0.1427","0.1493","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502319","11.968","0.0008","19.9487","0.0013","9.6958","0.0007","90","","106.578","0.001","90","","2218.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Inami, Tasuku; Sako, Saori; Kurahashi, Takuya; Matsubara, Seijiro","Methylenecyclopropanes in [4+1] cycloaddition with enones.","Organic letters","2011","13","15","3837","3839","10.1021/ol201540b","","","0.71073","MoKα","","0.0764","0.0628","","","0.219","0.2446","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502320","8.265","0.0017","6.753","0.0014","14.254","0.003","90","","103.68","0.03","90","","773","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H12 Cl N O2 -","- C20 H12 Cl N O2 -","- C40 H24 Cl2 N2 O4 -","2","0.5","","Fei, Na; Yin, Hao; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","CuCl2-promoted 6-endo-dig chlorocyclization and oxidative aromatization cascade: efficient construction of 1-azaanthraquinones from N-propargylaminoquinones.","Organic letters","2011","13","16","4208","4211","10.1021/ol201542h","","","0.71073","MoKα","","0.0777","0.0533","","","0.1362","0.1538","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502321","27.989","0.003","9.0736","0.0009","9.4414","0.001","90","","90","","90","","2397.7","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0886","0.0607","","","0.1641","0.1818","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502322","9.0867","0.0018","12.11","0.002","13.383","0.003","90","","90","","90","","1472.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0489","0.0432","","","0.1077","0.1119","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502323","9.481","0.0003","12.997","0.0004","21.734","0.0005","97.541","0.0017","100.665","0.0017","110.165","0.0012","2414.73","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 F6 O10 S6 -","- C42 H50 F6 O10 S6 -","- C84 H100 F12 O20 S12 -","2","1","","Kundrat, Ondrej; Eigner, Vaclav; Dvorakova, Hana; Lhotak, Pavel","S-alkylation of thiacalixarenes: a long-neglected possibility in the calixarene family.","Organic letters","2011","13","15","4032","4035","10.1021/ol201546y","","","0.71073","MoKα","","0.1064","0.0846","","0.2798","0.2697","0.2798","","","","","","0.9736","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502324","13.505","0.003","6.1813","0.0011","15.804","0.003","90","","93.51","0.004","90","","1316.8","0.5","108","2","108","2","","","","","","","","5","P 1 21 1","P 2yb","4","l-8a.p-Br-benzoic acid 1:0.25 clathrate","","","- C25.75 H23 Br0.25 N2 O5.5 -","- C25.75 H23 Br0.25 N2 O5.5 -","- C51.5 H46 Br0.5 N4 O11 -","2","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","0.56089","AgKα","","0.1179","0.0971","","","0.2565","0.2759","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502325","6.0225","0.0001","19.0267","0.0004","21.5818","0.0004","90","","90","","90","","2473.02","0.08","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C104 H120 N8 O28 -","4","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","1.54187","CuKα","","0.0989","0.0539","","","0.1157","0.1688","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502326","8.1082","0.0003","8.129","0.0003","12.9822","0.0005","79.872","0.002","85.732","0.002","61.496","0.002","740.19","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O8 -","- C17 H14 O8 -","- C34 H28 O16 -","2","1","","Yu, Min; Snider, Barry B.","Syntheses of chloroisosulochrin and isosulochrin and biomimetic elaboration to maldoxin, maldoxone, dihydromaldoxin, and dechlorodihydromaldoxin.","Organic letters","2011","13","16","4224","4227","10.1021/ol201561w","","","0.71073","MoKα","","0.0376","0.0362","","0.0937","0.0896","0.0937","","","","","","1.0193","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502327","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Vu, Jenny M Baxter; Leighton, James L.","A new synthesis of pyrrolidines by way of an enantioselective Mannich/diastereoselective hydroamination reaction sequence.","Organic letters","2011","13","15","4056","4059","10.1021/ol201566u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502328","10.1304","0.0017","11.4","0.002","17.702","0.003","76.36","0.003","85.057","0.003","71.691","0.003","1886","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","2","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.1603","0.0843","","","0.1694","0.1994","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502329","9.415","0.002","9.448","0.002","20.671","0.004","76.93","0.02","82.6","0.02","62.75","0.02","1591.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek-61(Ahmed)","","","- C38 H36 O2 Si -","- C38 H36 O2 Si -","- C76 H72 O4 Si2 -","2","1","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.0732","0.0589","","","0.1509","0.1598","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502330","20.496","0.007","18.931","0.005","15.444","0.005","90","","108.178","0.006","90","","5693","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C248 H176 O40 -","8","1","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.1152","0.0827","","","0.2337","0.2539","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502331","7.7247","0.0015","14.258","0.003","22.761","0.005","84.359","0.006","87.427","0.007","87.679","0.006","2490.6","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.098","0.0825","","","0.1774","0.1859","","","","","","1.159","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502332","8.1397","0.0008","32.018","0.003","9.9603","0.0011","90","","97.59","0.007","90","","2573.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","1.54186","CuKα","","0.0649","0.0579","","","0.1397","0.1469","","","","","","1.144","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502333","7.5028","0.0004","5.9354","0.0003","25.0935","0.0014","90","","90.569","0.004","90","","1117.41","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O6 S -","- C23 H30 N2 O6 S -","- C46 H60 N4 O12 S2 -","2","1","","Peña-López, Miguel; Martínez, M. Montserrat; Sarandeses, Luis A.; Sestelo, José Pérez","A Versatile Enantioselective Synthesis of Barrenazines","Organic Letters","2011","13","15","4151","","10.1021/ol201592g","","","0.71073","MoKα","","0.0604","0.0504","","","0.1137","0.1205","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502334","7.6826","0.0007","11.6731","0.0011","21.484","0.002","90","","90","","90","","1926.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br O3 -","- C24 H17 Br O3 -","- C96 H68 Br4 O12 -","4","1","","Rong, Zi-Qiang; Jia, Min-Qiang; You, Shu-Li","Enantioselective N-heterocyclic carbene-catalyzed Michael addition to α,β-unsaturated aldehydes by redox oxidation.","Organic letters","2011","13","15","4080","4083","10.1021/ol201595f","","","0.71073","MoKα","","0.0334","0.0287","","","0.069","0.0707","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502335","8.429","0.007","9.844","0.007","27.51","0.02","90","","105.68","0.05","90","","2198","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-(dimethylamino)styryl)-5,5-difluoro-8-iodo-1,7,9,10- tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide","","- C23 H25 B F2 I N3 -","- C23 H25 B F2 I N3 -","- C92 H100 B4 F8 I4 N12 -","4","1","","Niu, Songlin; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Regioselective synthesis of 5-monostyryl and 2-tetracyanobutadiene BODIPY dyes.","Organic letters","2011","13","19","4996","4999","10.1021/ol201600s","","","1.54187","CuKα","","0.0713","0.0432","","","0.0903","0.1273","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502336","8.492","0.003","8.849","0.003","15.021","0.006","92.659","0.007","91.269","0.007","102.379","0.007","1100.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0742","0.0571","","","0.1466","0.1824","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502337","8.996","0.004","17.247","0.006","11.869","0.005","90","","110.366","0.005","90","","1726.4","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0642","0.051","","","0.1358","0.1533","","","","","","0.931","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502338","11.004","0.004","11.586","0.005","12.288","0.006","93.336","0.007","101.165","0.006","114.297","0.005","1384.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Br N2 O4 S -","- C29 H33 Br N2 O4 S -","- C58 H66 Br2 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0871","0.0622","","","0.1554","0.1966","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502339","9.314","0.005","12.85","0.005","9.334","0.005","90","0.005","95.772","0.005","90","0.005","1111.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C52 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0651","0.0526","","","0.1086","0.1405","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502340","14.1502","0.0006","21.6375","0.001","27.7335","0.0012","90","","95.86","0.004","90","","8446.9","0.6","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H208 F12 N8 O34 P2 -","- C152 H208 F12 N8 O34 P2 -","- C304 H416 F24 N16 O68 P4 -","2","0.5","","Jiang, Wei; Sattler, Dominik; Rissanen, Kari; Schalley, Christoph A.","[4]Pseudorotaxanes with remarkable self-sorting selectivities.","Organic letters","2011","13","17","4502","4505","10.1021/ol201618f","","x-ray","1.54183","CuKα","","0.2472","0.1646","","","0.3976","0.4406","","","","","","1.336","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502341","7.7751","0.0006","10.3561","0.0008","30.771","0.002","90","","90","","90","","2477.7","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C96 H104 N8 O24 S8 -","8","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0585","0.0524","","","0.1322","0.1357","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502342","10.5132","0.0012","10.9768","0.0012","12.1803","0.0014","106.285","0.002","91.85","0.002","90.48","0.002","1348.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and Stereoselective Synthesis of Multisubstituted Olefins and Conjugate Dienes by Using α-Oxo Ketene Dithioacetals as the Building Blocks","Organic Letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0817","0.063","","","0.1768","0.1909","","","","","","1.078","","","","has coordinates","210339","2020-10-21","18:00:00",""
"1502343","13.017","0.0011","9.1064","0.0008","13.6673","0.0011","90","","105.084","0.001","90","","1564.3","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O S -","- C19 H13 Cl O S -","- C76 H52 Cl4 O4 S4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0417","0.0334","","","0.084","0.0898","","","","","","1.066","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502344","10.4782","0.0017","12.795","0.002","12.858","0.002","90","","90","","90","","1723.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0405","0.032","","","0.0663","0.0691","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502345","18.9697","0.0009","6.1032","0.0003","12.078","0.0006","90","","95.162","0.003","90","","1392.67","0.12","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Ovalles, Stephanie R.; Hansen, Jørn H; Davies, Huw M. L.","Thermally induced cycloadditions of donor/acceptor carbenes.","Organic letters","2011","13","16","4284","4287","10.1021/ol201628d","","","1.54178","CuKα","","0.0677","0.0589","","","0.1853","0.2174","","","","","","1.137","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502346","9.1072","0.0003","9.1072","0.0003","42.969","0.003","90","","90","","90","","3563.9","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Giovanelli, Emerson; Leroux, Sébastien; Moisan, Lionel; Carreyre, Hélène; Thuéry, Pierre; Buisson, David-Alexandre; Meddour, Abdelkrim; Coustard, Jean-Marie; Thibaudeau, Sébastien; Rousseau, Bernard; Nicolas, Marc; Hellier, Paul; Doris, Eric","On the elucidation of the mechanism of Vinca alkaloid fluorination in superacidic medium.","Organic letters","2011","13","15","4116","4119","10.1021/ol201637m","","","0.71073","MoKα","","0.0605","0.0442","","","0.098","0.1054","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502347","7.9868","0.0014","16.291","0.003","15.104","0.003","90","","100.77","0.002","90","","1930.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Br O Si -","- C18 H31 Br O Si -","- C72 H124 Br4 O4 Si4 -","4","1","","Liang, Huan; Hu, Lin; Corey, E. J.","Di-tert-butylisobutylsilyl, another useful protecting group.","Organic letters","2011","13","15","4120","4123","10.1021/ol201640y","","","0.71073","MoKα","","0.0355","0.0259","","","0.0589","0.0624","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502348","9.9752","0.0002","10.52392","0.00016","11.2107","0.0002","90","","116.107","0.003","90","","1056.81","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 S -","- C24 H32 O4 S -","- C48 H64 O8 S2 -","2","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","0.71073","MoKα","","0.0319","0.0289","","","0.071","0.0718","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502349","10.3318","0.0003","18.3947","0.0005","14.2896","0.0004","90","","108.039","0.003","90","","2582.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O -","- C36 H34 O -","- C144 H136 O4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0479","0.0434","","","0.1098","0.1143","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502350","7.43712","0.00009","8.62914","0.00009","36.4793","0.0004","90","","90","","90","","2341.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0335","0.0333","","","0.0839","0.0841","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502351","7.5858","0.0003","13.6821","0.0007","18.7826","0.0009","74.53","0.002","88.182","0.003","87.442","0.003","1876.54","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 S4 -","- C48 H46 S4 -","- C96 H92 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.089","0.0719","","0.076","0.0743","0.0743","","","","","","1.1425","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502352","14.1748","0.0003","23.6414","0.0006","20.9266","0.0003","90","","100.256","0.0012","90","","6900.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 O S4 -","- C44 H38 O S4 -","- C352 H304 O8 S32 -","8","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0666","0.0455","","0.056","0.0545","0.0545","","","","","","1.0498","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502353","5.0041","0.0002","9.4388","0.0005","14.0451","0.0008","101.515","0.003","96.482","0.003","97.466","0.003","637.91","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 F6 O6 S2 -","- C10 H3 F6 O6 S2 -","- C20 H6 F12 O12 S4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0512","0.0368","","0.0485","0.0444","0.0444","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502354","10.9121","0.0002","13.4556","0.0003","21.4689","0.0005","101.749","0.0009","92.3718","0.0012","92.6724","0.0011","3078.67","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 F6 O6 S2 -","- C18 H6 Br2 F6 O6 S2 -","- C108 H36 Br12 F36 O36 S12 -","6","3","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.072","0.0501","","0.0612","0.0584","0.0584","","","","","","1.0832","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502355","9.5284","0.0006","14.0861","0.0007","16.0076","0.0009","71.062","0.004","88.429","0.003","80.284","0.004","2002.2","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 S4 -","- C48 H50 S4 -","- C96 H100 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.1014","0.0583","","0.0584","0.0563","0.0563","","","","","","1.1009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502356","6.6296","0.0005","11.8971","0.0009","23.4759","0.0005","90","","90","","90","","1851.6","0.2","295","2","295","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra","A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor.","Organic letters","2011","13","17","4510","4513","10.1021/ol201652r","","","0.71069","MoKα","","0.1861","0.07","","","0.174","0.2649","","","","","","1.514","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502357","10.497","0.003","10.773","0.003","12.762","0.004","104.976","0.004","109.023","0.004","107.143","0.004","1199.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C60 H46 N6 O4 S2 -","2","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","Three-component reaction of N'-(2-alkynylbenzylidene)hydrazide, alkyne, with sulfonyl azide via a multicatalytic process: a novel and concise approach to 2-amino-H-pyrazolo[5,1-a]isoquinolines.","Organic letters","2011","13","16","4312","4315","10.1021/ol201653j","","","0.71073","MoKα","","0.0616","0.0482","","","0.1283","0.1376","","","","","","0.988","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502358","8.3369","0.0002","10.0978","0.0003","12.2085","0.0003","79.814","0.001","84.022","0.001","74.014","0.001","970.78","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O -","- C28 H20 O -","- C56 H40 O2 -","2","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0392","0.0362","","","0.0969","0.0996","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502359","11.1319","0.0002","17.695","0.0002","13.8306","0.0002","90","","113.704","0.001","90","","2494.5","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0444","0.0412","","","0.128","0.1313","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502360","12.6439","0.0006","9.4682","0.0004","12.7332","0.0005","90","","90.963","0.004","90","","1524.14","0.11","293","2","297.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Fañanás, Francisco J; Arto, Tamara; Mendoza, Abraham; Rodríguez, Félix","Synthesis of 2,5-dihydropyridine derivatives by gold-catalyzed reactions of β-ketoesters and propargylamines.","Organic letters","2011","13","16","4184","4187","10.1021/ol201655u","","","1.54184","CuKα","","0.1117","0.0847","","","0.2328","0.2773","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502361","34.5471","0.0019","10.8695","0.0006","20.1542","0.0011","90","","117.093","0.001","90","","6737.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34.5 N1.5 O4 -","- C44 H34.5 N1.5 O4 -","- C352 H276 N12 O32 -","8","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0836","0.0426","","","0.0728","0.0851","","","","","","0.868","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502362","9.9283","0.0005","29.9924","0.0015","11.1441","0.0006","90","","107.54","0.001","90","","3164.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N2 O5 -","- C43 H32 N2 O5 -","- C172 H128 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0567","0.041","","","0.0991","0.1056","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502363","10.1874","0.0005","10.7672","0.0006","11.9335","0.0006","90","","90","","90","","1308.98","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0337","0.0325","","","0.0867","0.0879","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502364","9.6496","0.0006","21.2791","0.0013","17.3549","0.0011","90","","92.255","0.001","90","","3560.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O5 -","- C45 H36 N2 O5 -","- C180 H144 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0525","0.0443","","","0.1079","0.1138","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502365","8.293","0.0006","11.2021","0.0009","16.2621","0.0012","81.447","0.002","75.918","0.002","70.351","0.002","1376.3","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O6 -","- C34 H29 N O6 -","- C68 H58 N2 O12 -","2","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0909","0.0477","","","0.0894","0.1007","","","","","","0.863","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502366","10.102","0.01","10.247","0.01","10.715","0.01","67.098","0.012","63.868","0.013","77.085","0.013","915.5","1.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Wang, Wen; Shen, Yongwen; Meng, Xu; Zhao, Mingming; Chen, Yongxin; Chen, Baohua","Copper-catalyzed synthesis of quinoxalines with o-phenylenediamine and terminal alkyne in the presence of bases.","Organic letters","2011","13","17","4514","4517","10.1021/ol201664x","","","0.71073","MoKα","","0.2653","0.1396","","","0.1368","0.1679","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502367","8.7653","0.0002","11.1641","0.0002","12.7663","0.0003","70.5552","0.0012","70.5023","0.001","89.8715","0.0014","1102.1","0.04","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C23 H23 Br I N O4 -","- C23 H23 Br I N O4 -","- C46 H46 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.034","0.026","","0.141","0.082","0.082","","","1.183","0.921","0.921","0.92","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502368","8.2215","0.0002","9.6598","0.0004","13.0019","0.0003","88.038","0.002","75.417","0.002","87.053","0.0012","997.76","0.05","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C40 H38 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.055","0.035","","0.148","0.07","0.07","","","1.703","1.378","1.378","1.377","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502369","12.589","0.0003","9.3093","0.0002","18.3114","0.0005","90","","105.36","","90","","2069.35","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.142","0.0699","","","0.1736","0.2219","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502370","13.4677","0.0002","11.5567","0.0002","13.588","0.0003","90","","91.659","0.001","90","","2113.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1149","0.0713","","","0.1596","0.188","","","","","","1.036","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502371","10.7346","0.0003","9.4995","0.0003","18.7661","0.0005","90","","95.215","0.002","90","","1905.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1631","0.0801","","","0.2384","0.3224","","","","","","1.124","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502372","11.6527","0.0018","9.7093","0.0015","12.4847","0.0019","90","","110.86","0.003","90","","1319.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 N O2 S2 -","- C29 H29 N O2 S2 -","- C58 H58 N2 O4 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.0366","0.0332","","","0.0881","0.0921","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502373","9.403","0.003","10.746","0.003","14.25","0.005","90","","98.438","0.006","90","","1424.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C60 H56 N4 O10 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.1815","0.048","","","0.0689","0.0944","","","","","","0.793","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502374","8.3672","0.0006","8.3672","0.0006","41.378","0.006","90","","90","","120","","2508.8","0.4","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C108 H150 N6 O6 S6 -","6","1","","Collett, Nathan D.; Carter, Rich G.","Stereoselective synthesis of the eastern quinolizidine portion of himeradine A.","Organic letters","2011","13","15","4144","4147","10.1021/ol201704g","","","0.71073","MoKα","","0.0384","0.0327","","","0.0699","0.0737","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502375","7.1044","0.0006","9.9689","0.0009","17.0887","0.0015","90","","90","","90","","1210.27","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Xi; Lin, Aijun; Shi, Yan; Guo, Jingyu; Zhu, Chengjian; Cheng, Yixiang","Enantioselective synthesis of polycyclic coumarin derivatives catalyzed by an in situ formed primary amine-imine catalyst.","Organic letters","2011","13","16","4382","4385","10.1021/ol201715h","","","0.71073","MoKα","","0.0444","0.0338","","","0.0845","0.0907","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502376","7.4994","0.0008","10.5825","0.0008","18.5973","0.0019","74.566","0.005","88.478","0.006","87.88","0.003","1421.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 Fe2 N6 -","- C34 H32 Fe2 N6 -","- C68 H64 Fe4 N12 -","2","1","","Cao, Qian-Yong; Pradhan, Tuhin; Kim, Sungtae; Kim, Jong Seung","Ferrocene-appended aryl triazole for electrochemical recognition of phosphate ions.","Organic letters","2011","13","16","4386","4389","10.1021/ol201722d","","","0.71073","MoKα","","0.1315","0.0582","","","0.125","0.155","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502377","20.685","0.002","9.8517","0.0011","20.938","0.002","90","","94.334","0.002","90","","4254.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N3 O S Zr -","- C42 H57 N3 O S Zr -","- C168 H228 N12 O4 S4 Zr4 -","4","1","","Wang, Xinke; Chen, Zhou; Sun, Xiu-Li; Tang, Yong; Xie, Zuowei","Intramolecular hydroamination of aminoalkenes catalyzed by a cationic zirconium complex.","Organic letters","2011","13","18","4758","4761","10.1021/ol201731m","","","0.71073","MoKα","","0.2365","0.0535","","","0.0805","0.117","","","","","","0.706","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502378","9.8637","0.0012","7.3755","0.0009","21.361","0.002","90","","90","","90","","1554","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","1","","Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F.","Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds.","Organic letters","2011","13","17","4542","4545","10.1021/ol201739u","","","0.71075","MoKα","","0.0685","0.0419","","","0.0809","0.095","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502379","14.934","0.0002","9.5657","0.0001","17.7739","0.0002","90","","90","","90","","2539.08","0.05","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 N4 O2 -","- C11 H10 Br2 N4 O2 -","- C88 H80 Br16 N32 O16 -","8","1","","Hewlett, Nicole M.; Tepe, Jetze J.","Total synthesis of the natural product (±)-dibromophakellin and analogues.","Organic letters","2011","13","17","4550","4553","10.1021/ol201741r","","x-ray","1.54178","CuKα","","0.0355","0.0337","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502380","5.8701","0.0005","13.7261","0.0011","26.946","0.002","90","","90","","90","","2171.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11106a","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","1","","Buchanan, Grant S.; Dai, Huifang; Hsung, Richard P.; Gerasyuto, Aleksey I.; Scheinebeck, Casi M.","Asymmetric aza-[3+3] annulation in the synthesis of indolizidines: an unexpected reversal of regiochemistry.","Organic letters","2011","13","16","4402","4405","10.1021/ol2017438","","","0.71073","MoKα","","0.0674","0.0389","","","0.0772","0.0904","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502381","10.2256","0.0012","10.8683","0.0013","15.1033","0.0018","92.681","0.01","108.486","0.009","110.798","0.009","1463.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H51 N O3 Si -","- C27 H51 N O3 Si -","- C54 H102 N2 O6 Si2 -","2","1","","Lapointe, Guillaume; Schenk, Kurt; Renaud, Philippe","Total synthesis of (±)-cylindricine C.","Organic letters","2011","13","18","4774","4777","10.1021/ol201745s","","","0.71073","MoKα","","0.103","0.0664","","","0.1966","0.2171","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502382","10.891","0.002","6.4637","0.0013","16.503","0.003","90","","101.84","0.03","90","","1137","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Tseng, Chih-Chung; Ding, Hanfeng; Li, Ang; Guan, Yucui; Chen, David Y.-K.","A modular synthesis of salvileucalin B structural domains.","Organic letters","2011","13","16","4410","4413","10.1021/ol201748x","","","0.71073","MoKα","","0.0828","0.0711","","","0.1479","0.1561","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502383","10.1866","0.0015","13.017","0.002","22.877","0.004","90","","90","","90","","3033.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0646","0.0592","","","0.1218","0.1249","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502384","8.7786","0.0018","14.075","0.003","24.58","0.005","90","","90","","90","","3037.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0672","0.0582","","","0.1045","0.1093","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502385","13.347","0.004","5.152","0.0015","19.349","0.006","90","","97.644","0.004","90","","1318.7","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0522","0.0477","","","0.0981","0.1006","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502386","12.634","0.003","8.8253","0.0018","14.418","0.003","90","","115.1","0.03","90","","1455.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N O6 -","- C32 H39 N O6 -","- C64 H78 N2 O12 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0484","0.0422","","","0.1231","0.1346","","","","","","1.231","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502387","12.771","0.002","9.914","0.0017","18.545","0.003","90","","90","","90","","2348","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.0772","0.0477","","","0.1321","0.1717","","","","","","0.965","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502388","9.8597","0.0006","10.9565","0.0008","11.4297","0.0007","109.843","0.001","96.118","0.001","111.059","0.001","1046.46","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N3 -","- C28 H21 N3 -","- C56 H42 N6 -","2","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.079","0.0476","","","0.1246","0.1465","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502389","12.9716","0.0009","10.05307","0.0001","12.4057","0.0002","90","","114.727","0.008","90","","1469.43","0.14","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Urabe, Daisuke; Yamaguchi, Hiroki; Inoue, Masayuki","Application of α-alkoxy bridgehead radical for coupling of oxygenated carbocycles.","Organic letters","2011","13","18","4778","4781","10.1021/ol201758a","","","1.54187","CuKα","","","0.0372","","","","0.0934","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502390","19.947","0.002","13.3646","0.0015","11.2796","0.0013","90","","105.507","0.002","90","","2897.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0748","0.0507","","","0.0645","0.0664","","","","","","2.16","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502391","7.6777","0.0003","9.1864","0.0003","10.8584","0.0004","71.309","0.002","69.829","0.002","75.759","0.001","673.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0829","0.0623","","","0.0933","0.0954","","","","","","2.646","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502392","11.0839","0.0002","7.5405","0.0001","12.2852","0.0002","90","","106.18","0.001","90","","986.1","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Morris, Erin N.; Nenninger, E. Katherine; Pike, Robert D.; Scheerer, Jonathan R.","Diels-Alder cycloaddition of chiral nonracemic 2,5-diketopiperazine dienes.","Organic letters","2011","13","16","4430","4433","10.1021/ol201768f","","","1.54178","CuKα","","0.0249","0.0247","","","0.062","0.0621","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502393","8.6914","0.0013","12.794","0.002","22.586","0.004","90","","90","","90","","2511.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O7 S -","- C26 H25 N O7 S -","- C104 H100 N4 O28 S4 -","4","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0423","0.0363","","","0.0762","0.0788","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502394","9.412","0.003","9.97","0.004","13.453","0.005","90","","93.383","0.005","90","","1260.2","0.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O7 -","- C27 H23 Br N2 O7 -","- C54 H46 Br2 N4 O14 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0859","0.0667","","","0.1428","0.1469","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502395","9.04","0.003","13.448","0.004","10.514","0.003","90","","93.69","0.004","90","","1275.5","0.7","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O7 S -","- C27 H27 N O7 S -","- C54 H54 N2 O14 S2 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0437","0.0361","","","0.07","0.0726","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502396","8.672","0.002","11.45","0.003","18.265","0.005","90","","95.833","0.005","90","","1804.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C23 H13 Cl N2 O5 -","- C92 H52 Cl4 N8 O20 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","0.71073","MoKα","","0.0895","0.0651","","","0.1282","0.1379","","","","","","1.14","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502397","18.4007","0.0012","5.1306","0.0003","17.9799","0.0012","90","","92.708","0.006","90","","1695.53","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C22 H11 Cl N2 O4 -","- C88 H44 Cl4 N8 O16 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","1.54178","CuKα","","0.0818","0.052","","","0.1335","0.1626","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502398","7.8071","0.0007","30.742","0.003","8.1999","0.0007","90","","103.408","0.001","90","","1914.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C88 H60 Br8 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0577","0.0323","","","0.0727","0.0822","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502399","8.14","0.005","11.896","0.007","12.943","0.007","90","","90","","90","","1253.3","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0485","0.0358","","","0.0836","0.0925","","","","","","1.042","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502400","9.389","0.0005","15.1811","0.0007","44.014","0.0019","90","","90","","90","","6273.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Br N O3 -","- C38 H42 Br N O3 -","- C304 H336 Br8 N8 O24 -","8","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.058","0.041","","","0.0817","0.0874","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502401","7.1374","0.0003","10.4915","0.0005","23.5245","0.0012","96.57","0.003","91.75","0.003","108.864","0.002","1651.72","0.14","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O7 -","- C38 H41 N3 O7 -","- C76 H82 N6 O14 -","2","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.0581","0.0504","","","0.13","0.1375","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502402","10.1508","0.0002","10.378","0.0002","15.321","0.0004","90","","99.993","0.001","90","","1589.5","0.06","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Pieters, Grégory; Gaucher, Anne; Marrot, Jérôme; Maurel, François; Naubron, Jean-Valère; Jean, Marion; Vanthuyne, Nicolas; Crassous, Jeanne; Prim, Damien","New chiral cyclooctatriene-based polycyclic architectures.","Organic letters","2011","13","16","4450","4453","10.1021/ol201804h","","","0.71073","MoKα","","0.0492","0.0478","","","0.1052","0.106","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502403","23.3176","0.0006","10.4397","0.0003","16.694","0.0005","90","","98.771","0.001","90","","4016.3","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","(1E,3E,5E,7E)-1,2,3,4,5,6,7,8-Octaphenyl-1,3,5,7-octatetraene","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0517","0.038","","","0.111","0.1351","","","","","","1.169","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502404","10.395","0.0004","11.2458","0.0005","15.6129","0.0006","94.493","0.002","107.09","0.001","100.745","0.002","1696.66","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-Octa(2-thiophenyl)tricyclo[3.2.1.02,7]oct-3-ene","","- C40 H26 S8 -","- C40 H26 S8 -","- C80 H52 S16 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0546","0.0402","","","0.1194","0.1526","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502405","9.9211","0.0007","11.141","0.0008","12.3491","0.0009","87.69","0.002","76.15","0.002","84.828","0.002","1319.63","0.16","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","(2E,4E,6E,8E)-4,7-Dimethyl-3,5,6,8-tetraphenyl-2,4,6,8-decatetraene","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0542","0.0375","","","0.0883","0.0987","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502406","10.4203","0.0002","38.0328","0.0008","10.0996","0.0002","90","","106.116","0.001","90","","3845.31","0.13","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.1038","0.0588","","","0.176","0.2164","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502407","10.2553","0.0002","20.286","0.0005","20.0538","0.0004","90","","104.01","0.001","90","","4047.87","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl2 -","- C57 H44 Cl2 -","- C228 H176 Cl8 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0878","0.0528","","","0.1464","0.1814","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502408","15.086","0.006","6.17","0.003","16.881","0.007","90","","105.94","0.02","90","","1510.9","1.1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Dunlap, Norma; Lankford, Kevin R.; Pathiranage, Anuradha Liyana; Taylor, Jessica; Reddy, Nikhil; Gouger, Daniel; Singer, Phillip; Griffin, Kent; Reibenspies, Joseph","Three-step synthesis of cyclopropyl peptidomimetics.","Organic letters","2011","13","18","4879","4881","10.1021/ol201828u","","","1.54178","CuKα","","0.1617","0.0949","","","0.2001","0.2444","","","","","","1.012","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502409","22.05","0.003","11.6489","0.0007","26.955","0.003","90","","108.028","0.013","90","","6583.7","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H143.2 F24 N8 O30.6 P4 -","- C120 H143.2 F24 N8 O30.6 P4 -","- C240 H286.4 F48 N16 O61.2 P8 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.2203","0.1357","","","0.3536","0.4209","","","","","","1.207","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502410","13.4807","0.0006","13.8068","0.0005","26.5793","0.001","92.123","0.003","99.809","0.004","98.463","0.003","4811.9","0.3","99.9","","99.9","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H97.72 F24 N11 O14.37 P4 -","- C88 H97 F24 N11 O14.363 P4 -","- C176 H194 F48 N22 O28.726 P8 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.1571","0.1054","","","0.2556","0.2857","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502411","9.5327","0.0001","14.3362","0.0002","11.4665","0.0005","90","","109.175","0.0008","90","","1480.1","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O14 -","- C32 H30 O14 -","- C64 H60 O28 -","2","1","","Kikuchi, Haruhisa; Isobe, Masato; Sekiya, Mizuki; Abe, Yuko; Hoshikawa, Tsuyoshi; Ueda, Kazunori; Kurata, Shoichiro; Katou, Yasuhiro; Oshima, Yoshiteru","Structures of the dimeric and monomeric chromanones, gonytolides A-C, isolated from the fungus Gonytrichum sp. and their promoting activities of innate immune responses.","Organic letters","2011","13","17","4624","4627","10.1021/ol2018449","","","1.54187","CuKα","","","0.0688","","","","0.2288","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502412","38.344","0.011","11.346","0.003","18.236","0.005","90","","112.657","0.008","90","","7321","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H31 Cl3 N2 -","- C46 H31 Cl3 N2 -","- C368 H248 Cl24 N16 -","8","1","","Wei, Xiaohong; Zhao, Miao; Du, Zhengyin; Li, Xingwei","Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling.","Organic letters","2011","13","17","4636","4639","10.1021/ol2018505","","","0.71073","MoKα","","0.1258","0.0846","","","0.2255","0.2632","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502413","7.1962","0.0002","9.5745","0.0003","21.0083","0.0006","90","","90","","90","","1447.47","0.07","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio","Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration.","Organic letters","2011","13","17","4640","4643","10.1021/ol2018533","","","1.54187","CuKα","","","0.049","","","","0.1155","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502414","35.134","0.003","9.7804","0.001","28.186","0.003","90","","124.979","0.001","90","","7935.9","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C51 H42 Cl2 -","- C51 H42 Cl2 -","- C408 H336 Cl16 -","8","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.062","0.0431","","","0.1061","0.1143","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502415","5.9165","0.0011","15.54","0.003","17.695","0.003","102.054","0.004","92.986","0.004","97.261","0.004","1573.1","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C50 H36 -","- C50 H36 -","- C100 H72 -","2","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.2018","0.095","","","0.2278","0.2755","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502416","9.9898","0.0007","14.5484","0.001","15.5784","0.001","93.462","0.001","94.603","0.001","101.437","0.001","2205.2","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","bis(TTF)allene","","","- C41.5 H35.5 S12 -","- C41.5 H33.5 S12 -","- C83 H67 S24 -","2","1","","Hasegawa, Masashi; Sone, Yasuto; Iwata, Seiya; Matsuzawa, Hideyo; Mazaki, Yasuhiro","Tetrathiafulvalenylallene: a new class of donor molecules having strong chiroptical properties in neutral and doped states.","Organic letters","2011","13","17","4688","4691","10.1021/ol201857f","","","0.71073","MoKα","","0.055","0.0394","","","0.1045","0.1243","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502417","14.7468","0.0005","5.0698","0.0002","21.3719","0.0007","90","","100.896","0.002","90","","1569.03","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-methoxy-4-(4-methoxybenzamido)pentanoate","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.","Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.","Organic letters","2011","13","19","5040","5043","10.1021/ol201865h","","","1.54178","CuKα","","0.0379","0.0352","","","0.0828","0.0844","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502418","8.2071","0.0013","20.451","0.003","8.7017","0.0015","90","","119.334","0.01","90","","1273.3","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O4 -","- C11 H10 Br F3 O4 -","- C44 H40 Br4 F12 O16 -","4","1","","Hoque, Md Mahbubul; Miyamoto, Kazunori; Tada, Norihiro; Shiro, Motoo; Ochiai, Masahito","Synthesis and structure of hypervalent diacetoxybromobenzene and aziridination of olefins with imino-λ3-bromane generated in situ under metal-free conditions.","Organic letters","2011","13","20","5428","5431","10.1021/ol201868n","","","1.54187","CuKα","","","0.0348","","","","0.1074","","","","","","1.181","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502419","6.662","","10.282","","27.01","","90","","90","","90","","1850.15","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sau, Míriam; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Copper-free intramolecular alkyne-azide cycloadditions leading to seven-membered heterocycles.","Organic letters","2011","13","19","5044","5047","10.1021/ol201869y","","","0.71073","MoKα","","0.0356","0.034","","","0.0929","0.0944","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502420","27.867","0.003","10.0431","0.0008","14.5453","0.0011","90","","98.547","0.009","90","","4025.6","0.6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C192 H184 N40 -","8","1","","Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J.","An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium.","Organic letters","2011","13","17","4664","4667","10.1021/ol201877v","","","1.54184","CuKα","","0.0604","0.0488","","","0.1328","0.1433","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502421","11.1415","0.0012","18.793","0.002","9.4189","0.001","90","","105.454","0.002","90","","1900.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 O4 -","- C23 H16 Cl2 O4 -","- C92 H64 Cl8 O16 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0526","0.047","","","0.1317","0.1362","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502422","7.8242","0.0004","17.4981","0.001","19.6551","0.0012","100.75","0.001","95.93","0.001","92.897","0.001","2622.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 Cl15 N2 O8 -","- C47 H29 Cl15 N2 O8 -","- C94 H58 Cl30 N4 O16 -","2","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0798","0.0677","","","0.1752","0.1849","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502423","15.8758","0.0008","20.1039","0.001","21.5485","0.0011","90","","90","","90","","6877.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C266 H176 Cl12 F24 Fe8 N8 O68 S8 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0878","0.082","","","0.2238","0.2311","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502424","8.2013","0.0016","9.0211","0.0017","19.626","0.004","101.298","0.004","92.107","0.004","93.397","0.004","1419.6","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","1","0.5","","Jung, Hyo Sung; Han, Ji Hye; Kim, Zee Hwan; Kang, Chulhun; Kim, Jong Seung","Coumarin-Cu(II) ensemble-based cyanide sensing chemodosimeter.","Organic letters","2011","13","19","5056","5059","10.1021/ol2018856","","","0.71073","MoKα","","0.087","0.0571","","","0.1375","0.1566","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502425","9.768","0.002","10.747","0.002","22.023","0.004","90","","90","","90","","2311.9","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0306","0.029","","","0.0654","0.0694","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502426","11.19","0.002","13.078","0.003","16.013","0.003","90","","90","","90","","2343.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0325","0.0296","","","0.0687","0.0794","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502427","8.9942","0.0005","9.2272","0.0006","12.0198","0.0008","99.073","0.005","104.225","0.005","101.47","0.005","924.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","0.71073","MoKα","","0.0715","0.0382","","","0.09","0.0989","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502428","21.9909","0.0008","13.9411","0.0006","6.3316","0.0002","90","","90","","90","","1941.13","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0878","0.0709","","","0.1927","0.2122","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502429","29.2867","0.0013","29.2867","0.0013","10.8321","0.0005","90","","90","","120","","8046.1","0.6","566","2","566","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H17 N O -","- C24 H17 N O -","- C432 H306 N18 O18 -","18","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0492","0.0389","","","0.1026","0.1088","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502430","11.0581","0.0005","11.0581","0.0005","20.481","0.004","90","","90","","90","","2504.4","0.5","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Oxaazapine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Pandey, Ganesh; C, Prasanna Kumara","Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine.","Organic letters","2011","13","17","4672","4675","10.1021/ol201892j","","","0.71073","MoKα","","0.0335","0.0309","","","0.0815","0.0841","","","","","","1.081","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502431","12.6266","0.0003","23.2738","0.0005","19.6457","0.0004","90","","95.122","0.002","90","","5750.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Br O10 -","- C54 H67 Br O10 -","- C216 H268 Br4 O40 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","0.71073","MoKα","","0.0559","0.0469","","","0.1344","0.1419","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502432","36.409","0.003","11.5008","0.0005","12.1481","0.0005","90","","90","","90","","5086.8","0.5","293","2","293","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C57 H74 O11 -","- C57 H74 O11 -","- C228 H296 O44 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","1.54184","CuKα","","0.1036","0.0887","","","0.2634","0.2921","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502433","9.9577","0.0006","13.8736","0.0008","8.9291","0.0005","90","","96.997","0.002","90","","1224.36","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N O -","- C15 H13 F2 N O -","- C60 H52 F8 N4 O4 -","4","1","","Lin, Riyuan; Ding, Shengtao; Shi, Zhuangzhi; Jiao, Ning","An efficient difluorohydroxylation of indoles using selectfluor as a fluorinating reagent.","Organic letters","2011","13","17","4498","4501","10.1021/ol201896p","","","0.71073","MoKα","","0.0415","0.0382","","","0.1068","0.1108","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502434","8.857","0.0001","11.004","0.0001","19.2087","0.0002","90","","90","","90","","1872.13","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C72 H80 N8 O28 -","4","1","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.04","0.0395","","","0.1209","0.1222","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502435","23.8735","0.0004","10.3412","0.0001","23.7886","0.0003","90","","107.843","0.001","90","","5590.45","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H93 F4 N8 O25 -","- C128 H93 F4 N8 O25 -","- C256 H186 F8 N16 O50 -","2","0.5","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.0441","0.0427","","","0.1223","0.1242","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502436","11.6459","0.0008","4.9893","0.0004","16.0289","0.0011","90","","109.236","0.004","90","","879.36","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ingle, Gajendrasingh K.; Mormino, Michael G.; Wojtas, Lukasz; Antilla, Jon C.","Chiral phosphoric acid-catalyzed addition of thiols to N-acyl imines: access to chiral N,S-acetals.","Organic letters","2011","13","18","4822","4825","10.1021/ol201899c","","","1.54178","CuKα","","0.0601","0.05","","","0.1155","0.1225","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502437","18.568","","8.451","","16.951","","90","","91.12","","90","","2659.41","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N -","- C32 H36 B N -","- C128 H144 B4 N4 -","4","1","","Pan, Hong; Fu, Guang-Liang; Zhao, Yi-Hong; Zhao, Cui-Hua","Through-space charge-transfer emitting biphenyls containing a boryl and an amino group at the o,o'-positions.","Organic letters","2011","13","18","4830","4833","10.1021/ol201909r","","","0.71073","MoKα","","0.0679","0.0508","","","0.1409","0.155","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502438","12.3795","0.0008","16.3654","0.001","21.5944","0.0014","91.21","0.003","94.228","0.003","112.025","0.003","4039","0.5","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C80 H94 Cl9 N7 O7 -","- C80 H94 Cl9 N7 O7 -","- C160 H188 Cl18 N14 O14 -","2","1","","Dzyuba, Egor V.; Kaufmann, Lena; Löw, Nora L; Meyer, Annika K.; Winkler, Henrik D. F.; Rissanen, Kari; Schalley, Christoph A.","CH···O hydrogen bonds in ""clicked"" diketopiperazine-based amide rotaxanes.","Organic letters","2011","13","18","4838","4841","10.1021/ol201915j","","x-ray","0.71073","MoKα","","0.2584","0.1375","","","0.339","0.3956","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502439","25.2131","0.0009","10.2122","0.0004","9.6812","0.0003","90","","92.312","0.002","90","","2490.7","0.15","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H25 F O4 -","- C32 H25 F O4 -","- C128 H100 F4 O16 -","4","1","","Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin","Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes.","Organic letters","2011","13","17","4708","4711","10.1021/ol201917u","","","0.71073","MoKα","","0.0521","0.0402","","","0.1046","0.1232","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502440","12.535","0.002","8.525","0.001","10.325","0.001","90","","97.507","0.011","90","","1093.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C44 H36 Cl4 O16 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0634","0.0419","","","0.0965","0.1029","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502441","8.3121","0.0006","8.8281","0.0005","27.683","0.002","90","","90","","90","","2031.4","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O12 -","- C17 H22 O12 -","- C68 H88 O48 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0637","0.0417","","","0.0886","0.0938","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502442","6.458","0.005","10.738","0.001","12.738","0.001","90","","102.324","0.009","90","","863","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 -","- C15 H23 N O7 -","- C30 H46 N2 O14 -","2","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0712","0.0496","","","0.0941","0.1055","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502443","8.257","0.001","12.014","0.002","9.095","0.001","90","","104.18","0.01","90","","874.7","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","1","0.5","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.1132","0.0676","","","0.1077","0.125","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502444","11.1402","0.0016","8.2454","0.0011","22.881","0.003","90","","99.42","0.003","90","","2073.4","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","1","0.5","","Lan, Yu-Bao; Zhao, Hua; Liu, Zhao-Min; Liu, Guo-Gui; Tao, Jing-Chao; Wang, Xing-Wang","Chiral counteranion synergistic organocatalysis under high temperature: efficient construction of optically pure spiro[cyclohexanone-oxindole] backbone.","Organic letters","2011","13","18","4866","4869","10.1021/ol201943g","","","0.71075","MoKα","","0.0747","0.0455","","","0.067","0.0777","","","","","","0.86","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502445","21.7595","0.0015","5.8572","0.0004","15.7081","0.0011","90","","97.045","0.001","90","","1986.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11111a","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0656","0.0413","","","0.0901","0.1025","","","","","","1.039","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502446","17.2125","0.0012","13.291","0.0009","9.4159","0.0006","90","","94.299","0.001","90","","2148","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11116a","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C92 H112 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.099","0.0743","","","0.1724","0.1832","","","","","","1.141","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502447","5.8722","0.0013","9.695","0.002","9.999","0.002","109.909","0.002","93.647","0.002","97.854","0.002","526.49","0.19","173","2","173","2","","","","","","","","5","P 1","P 1","1","11121z","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C23 H28 N O3 P -","1","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0679","0.0506","","","0.0926","0.1001","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502448","10.5529","0.0005","10.6825","0.0005","11.6653","0.0006","112.531","0.001","95.396","0.001","108.115","0.001","1119.91","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Zibinsky, Mikhail; Fokin, Valery V.","Reactivity of N-(1,2,4-triazolyl)-substituted 1,2,3-triazoles.","Organic letters","2011","13","18","4870","4872","10.1021/ol201949h","","","0.71073","MoKα","","0.0357","0.0324","","","0.0802","0.0829","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502449","6.6019","0.0001","7.9218","0.0001","18.1666","0.0004","90","","90","","90","","950.09","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C24 H48 N8 O16 S8 -","4","1","","Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C.","DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation.","Organic letters","2011","13","18","4876","4878","10.1021/ol201957n","","","0.71073","MoKα","","0.0385","0.0364","","0.0983","0.0946","0.0983","","","","","","0.9777","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502450","11.367","0.002","9.0168","0.0018","11.449","0.002","90","","94.36","0.03","90","","1170.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C48 H48 N4 O16 -","2","1","","Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng","Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides.","Organic letters","2011","13","19","5088","5091","10.1021/ol2019604","","","0.71073","MoKα","","0.1312","0.0525","","","0.1203","0.186","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502451","25.372","0.004","6.9965","0.0011","13.992","0.002","90","","109.771","0.002","90","","2337.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C88 H96 Br8 N8 O24 S8 -","8","1","","Samarakoon, Thiwanka B.; Loh, Joanna K.; Rolfe, Alan; Le, Lisa S.; Yoon, Sun Young; Lushington, Gerald H.; Hanson, Paul R.","A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams.","Organic letters","2011","13","19","5148","5151","10.1021/ol201962n","","","0.71073","MoKα","","0.0305","0.0282","","","0.0793","0.0802","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502452","4.8422","0.0015","12.266","0.003","22.2","0.005","90","","91.512","0.007","90","","1318.1","0.6","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F4 N2 O -","- C18 H6 F4 N2 O -","- C72 H24 F16 N8 O4 -","4","1","","Mamada, Masashi; Pérez-Bolívar, César; Anzenbacher, Jr, Pavel","Green synthesis of polycyclic benzimidazole derivatives and organic semiconductors.","Organic letters","2011","13","18","4882","4885","10.1021/ol201973w","","","0.71075","MoKα","","0.0695","0.0462","","","0.0982","0.1082","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502453","5.6443","0.0001","8.8426","0.0002","33.8277","0.0006","90","","90","","90","","1688.35","0.06","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-1-(4-Bromobenzylidene)-2-isopropenyl-1,2- dihydronaphtho[2,1-b]furan [(S)-(-)-3k]","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Okamoto, Ryuichi; Okazaki, Eri; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade.","Organic letters","2011","13","18","4894","4897","10.1021/ol201986e","","","1.54187","CuKα","","0.0202","0.0198","","","0.0506","0.0509","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502454","18.0698","0.0006","18.8957","0.0007","19.9815","0.0007","90","0.005","96.632","0.002","90","0.005","6776.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl4 N8 Pd2 S12 -","- C59 H58 Cl2 N8 Pd2 S12 -","- C236 H232 Cl8 N32 Pd8 S48 -","4","1","","Bejger, Christopher; Davis, Christina M.; Park, Jung Su; M Lynch, Vincent; Love, Jason B.; Sessler, Jonathan L.","Palladium induced macrocyclic preorganization for stabilization of a tetrathiafulvalene mixed-valence dimer.","Organic letters","2011","13","18","4902","4905","10.1021/ol201992x","","","0.71069","MoKα","","0.0585","0.0406","","","0.1078","0.1162","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502455","9.896","0.002","11.39","0.002","12.46","0.003","90","","90","","90","","1404.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Chen, Weiliang; Cai, Yunfei; Fu, Xuan; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Enantioselective one-pot synthesis of 2-amino-4-(indol-3-yl)-4H-chromenes.","Organic letters","2011","13","18","4910","4913","10.1021/ol2019949","","","1.54178","CuKα","","0.0458","0.0415","","","0.0842","0.0853","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502456","15.225","0.003","5.1545","0.0009","24.691","0.005","90","","103.279","0.003","90","","1885.9","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Zhu, Shujie; Dong, Jia; Fu, Shaomin; Jiang, Huanfeng; Zeng, Wei","Cu(II)-catalyzed intermolecular amidation of C-acylimine: a convenient access to gem-diamino acid derivatives.","Organic letters","2011","13","18","4914","4917","10.1021/ol2019955","","","0.71073","MoKα","","0.075","0.0487","","","0.1344","0.1518","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502457","7.6066","0.0001","9.2391","0.0001","14.9025","0.0002","83.0578","0.0007","87.1663","0.0007","84.9449","0.0006","1034.8","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C48 H58 N2 O8 -","2","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0652","0.043","","0.1377","0.1043","0.1377","","","","","","0.9617","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502458","9.2396","0.0001","14.8406","0.0002","27.0972","0.0003","90","","90","","90","","3715.6","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0764","0.0446","","0.1409","0.1044","0.1409","","","","","","0.9789","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502459","27.1086","0.0004","5.9741","0.0001","29.628","0.002","90","","113.48","0.008","90","","4400.9","0.4","85","2","85","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C216 H232 N8 O24 -","8","1","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54187","CuKα","","0.0915","0.0672","","","0.175","0.1983","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502460","9.2829","0.0002","5.7495","0.0001","38.036","0.003","90","","95.679","0.007","90","","2020.09","0.17","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54178","CuKα","","0.0346","0.033","","","0.0832","0.084","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502461","8.786","0.0002","10.5897","0.0002","29.0329","0.0005","90","","90","","90","","2701.25","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N3 O6 -","- C31 H31 N3 O6 -","- C124 H124 N12 O24 -","4","1","","Yang, Zhicai; Jin, Xiaomin; Guaciaro, Michael; Molino, Bruce F.; Mocek, Ursula; Reategui, Ricardo; Rhea, Joshua; Morley, Tim","The revised structure, total synthesis, and absolute configuration of streptophenazine A.","Organic letters","2011","13","20","5436","5439","10.1021/ol202005u","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0855","0.0864","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502462","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502463","16.0446","0.0014","4.764","0.0004","13.4292","0.0015","90","","94.887","0.007","90","","1022.75","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0649","0.0481","","","0.1157","0.1274","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502464","5.178","0.0002","7.4431","0.0003","22.6665","0.0009","85.6807","0.0019","87.5095","0.0019","80.988","0.002","859.9","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0578","0.055","","","0.1325","0.1337","","","","","","1.25","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502465","9.764","0.003","4.8363","0.0015","45.628","0.014","90","","91.567","0.005","90","","2153.8","1.1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O4 -","- C23 H19 N5 O4 -","- C92 H76 N20 O16 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.1782","0.1444","","","0.329","0.3461","","","","","","1.146","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502466","5.8404","0.0003","12.8879","0.0005","18.2216","0.0006","90","","90","","90","","1371.55","0.1","293","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","","Ruan, Shu-Tang; Luo, Jie-Min; Du, Yu; Huang, Pei-Qiang","Asymmetric vinylogous Mannich reactions: a versatile approach to functionalized heterocycles.","Organic letters","2011","13","18","4938","4941","10.1021/ol2020384","","","0.71073","MoKα","","0.0635","0.0433","","","0.0672","0.0711","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502467","9.864","0.0005","13.424","0.0009","18.0592","0.0009","81.355","0.005","89.502","0.004","79.46","0.005","2323.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C108 H88 N8 O20 -","4","2","","Fernández-García, Jesús Manuel; Fernández-Rodríguez, Manuel Á; Aguilar, Enrique","Catalytic intermolecular hetero-dehydro-Diels-Alder cycloadditions: regio- and diasteroselective synthesis of 5,6-dihydropyridin-2-ones.","Organic letters","2011","13","19","5172","5175","10.1021/ol202046y","","","0.71073","MoKα","","0.1262","0.0422","","","0.0871","0.1138","","","","","","0.774","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502468","7.6533","0.0007","9.2536","0.0007","12.3889","0.0006","88.167","0.005","78.383","0.006","70.917","0.007","811.64","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","0.71073","MoKα","","0.0506","0.0384","","0.0804","0.0729","0.0804","","","","","","0.9508","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502469","8.2196","0.0002","10.2119","0.0003","20.8765","0.0005","95.474","0.002","91.073","0.002","98.682","0.002","1723.37","0.08","100","2","100","","","","","","","","Kallolmay Biswas","4","P -1","-P 1","2","","","","- C21 H20 N2 S -","- C21 H20 N2 S -","- C84 H80 N8 S4 -","4","2","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","1.5418","CuKα","","0.0449","0.042","","","0.1104","0.1137","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502470","23.426","0.002","18.992","0.002","6.205","0.0004","90","","90","","90","","2760.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-1-(4-bromophenyl)-4,4-dimethyl-3-[(5-oxofuran- 2(5H)-ylidene)]pentyl (1R,2S,5R)-2-isopropyl-5-methyl cyclohexyl carbonate","","- C28 H37 Br O5 -","- C28 H37 Br O5 -","- C112 H148 Br4 O20 -","4","1","","Curti, Claudio; Battistini, Lucia; Sartori, Andrea; Lodola, Alessio; Mor, Marco; Rassu, Gloria; Pelosi, Giorgio; Zanardi, Franca; Casiraghi, Giovanni","Catalytic, asymmetric hypervinylogous Mukaiyama aldol reactions of extended furan-based silyl enolates.","Organic letters","2011","13","17","4738","4741","10.1021/ol2020626","","","1.5418","CuKα","","0.0677","0.0483","","","0.1395","0.1558","","","","","","0.953","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502471","6.025","0.003","8.067","0.003","14.859","0.006","90","","92.998","0.007","90","","721.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C36 H30 Cl2 O2 -","2","1","","Wang, Yazhou; Feng, Xiangqing; Du, Haifeng","Kinetic resolution of hindered Morita-Baylis-Hillman adducts by Rh(I)-catalyzed asymmetric 1,4-addition/β-hydroxyelimination.","Organic letters","2011","13","18","4954","4957","10.1021/ol202069e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1345","0.14","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502472","10.236","0.004","7.645","0.003","14.941","0.007","90","","104.633","0.008","90","","1131.3","0.8","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S2 -","- C27 H24 O6 S2 -","- C54 H48 O12 S4 -","2","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via asymmetric Michael reaction catalyzed by cinchonine-derived urea.","Organic letters","2011","13","19","5192","5195","10.1021/ol202073p","","","0.71073","MoKα","","0.0919","0.054","","","0.086","0.0969","","","","","","0.907","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502473","13.1485","0.0016","16.858","0.002","25.981","0.003","90","","90","","90","","5758.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N2 O2 S -","- C34 H34 N2 O2 S -","- C272 H272 N16 O16 S8 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.159","0.0697","","","0.1677","0.1999","","","","","","0.853","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502474","15.4711","0.0009","9.7718","0.0006","39.174","0.002","90","","90","","90","","5922.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Br2 N O4 -","- C31 H37 Br2 N O4 -","- C248 H296 Br16 N8 O32 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.0589","0.0388","","","0.084","0.0939","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502475","15.3311","0.0005","8.9614","0.0002","18.9054","0.0006","90","","103.569","0.004","90","","2524.88","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","","Chai, Guobi; Qiu, Youai; Fu, Chunling; Ma, Shengming","Efficient assembly of chromone skeleton from 2,3-allenoic acids and benzynes.","Organic letters","2011","13","19","5196","5199","10.1021/ol202076c","","","0.71073","MoKα","","0.0462","0.0372","","","0.0906","0.0961","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502476","4.665","0.002","7.757","0.004","20.266","0.008","96.79","0.01","94","0.01","92","0.01","725.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-[(2,5-dimethoxy-1,4-phenylene)bis(methylene)]bis(3-bromo-5-hexylthiophene)","","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.1122","0.0926","","","0.2385","0.2471","","","","","","1.295","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502477","6.5606","0.0012","7.3288","0.0013","13.452","0.002","83.044","0.003","87.215","0.003","77.447","0.003","626.52","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,8-dihexylanthra[2,3-b:6,7-b']dithiophene-5,11-dione","","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.0699","0.051","","","0.1188","0.1322","","","","","","1.015","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502478","9.821","0.004","7.317","0.003","10.846","0.004","90","","108.497","0.005","90","","739.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey; Cook, James M.","Regiospecific, enantiospecific total synthesis of C-19 methyl substituted sarpagine alkaloids dihydroperaksine-17-al and dihydroperaksine.","Organic letters","2011","13","19","5216","5219","10.1021/ol202101p","","","0.71073","MoKα","","0.0613","0.0566","","","0.144","0.1507","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502479","9.6259","0.0005","12.6135","0.0008","17.7779","0.0011","90","","90","","90","","2158.5","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Biswas, Anup; De Sarkar, Suman; Fröhlich, Roland; Studer, Armido","Highly stereoselective synthesis of 1,2,3-trisubstituted indanes via oxidative N-heterocyclic carbene-catalyzed cascades.","Organic letters","2011","13","18","4966","4969","10.1021/ol202108a","","","1.54178","CuKα","","0.0919","0.0551","","","0.1235","0.1527","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502480","7.4161","0.0011","13.563","0.002","29.24","0.004","90","","90","","90","","2941.1","0.7","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 N2 S -","- C18 H14 N2 S -","- C144 H112 N16 S8 -","8","2","","Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong","Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles.","Organic letters","2011","13","19","5224","5227","10.1021/ol2021109","","","0.71073","MoKα","","0.0914","0.0606","","","0.1339","0.1417","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502481","7.1095","0.0001","13.99","0.0001","25.1839","0.0002","90","","90.451","0.001","90","","2504.76","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Mattson 1804","","","- C32 H24 O3 Si -","- C32 H24 O3 Si -","- C128 H96 O12 Si4 -","4","1","","Schafer, Andrew G.; Wieting, Joshua M.; Mattson, Anita E.","Silanediols: a new class of hydrogen bond donor catalysts.","Organic letters","2011","13","19","5228","5231","10.1021/ol2021115","","x-ray","0.71073","MoKα","","0.0693","0.0429","","","0.1103","0.1234","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502482","13.1314","0.0009","5.8958","0.0004","15.9344","0.0011","90","","109.439","0.002","90","","1163.32","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br O5 -","- C26 H25 Br O5 -","- C52 H50 Br2 O10 -","2","1","","Liu, Chen; Dou, Xiaowei; Lu, Yixin","Organocatalytic asymmetric aldol reaction of hydroxyacetone with β,γ-unsaturated α-keto esters: facile access to chiral tertiary alcohols.","Organic letters","2011","13","19","5248","5251","10.1021/ol2021274","","","0.71073","MoKα","","0.0591","0.0521","","","0.1045","0.1082","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502483","7.8299","0.0014","8.1023","0.0014","21.225","0.004","90","","90","","90","","1346.5","0.4","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","García-García, Patricia; Martínez, Alberto; Sanjuán, Ana M; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(I)-catalyzed tandem cyclization-selective migration reaction of 1,3-dien-5-ynes: regioselective synthesis of highly substituted benzenes.","Organic letters","2011","13","18","4970","4973","10.1021/ol202129n","","","0.71073","MoKα","","0.0678","0.0583","","","0.1425","0.1543","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502484","13.6531","0.0009","13.6881","0.0008","14.2989","0.001","82.661","0.005","66.722","0.006","62.953","0.006","2181.8","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 S -","- C60 H40 S -","- C120 H80 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71073","MoKα","","0.0626","0.0424","","","0.0904","0.098","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502485","11.179","0.005","12.528","0.005","17.631","0.005","83.243","0.005","85.577","0.005","80.954","0.005","2417.3","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H36 F4 S -","- C60 H36 F4 S -","- C120 H72 F8 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71069","MoKα","","0.1675","0.0712","","","0.1711","0.206","","","","","","0.847","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502486","13.8181","0.0006","24.0094","0.0012","15.1905","0.0007","90","","96.848","0.004","90","","5003.7","0.4","290.65","","290.65","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H52 Cl2 S -","- C63 H52 Cl2 S -","- C252 H208 Cl8 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.095","0.0658","","","0.1748","0.1984","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502487","15.2541","0.0003","13.8703","0.0002","19.9768","0.0003","90","","111.199","0.002","90","","3940.65","0.12","291.15","","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 S -","- C52 H40 S -","- C208 H160 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.0695","0.0527","","","0.1512","0.1656","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502488","6.271","0.002","11.677","0.004","14.082","0.004","91.928","0.005","101.251","0.005","99.162","0.005","996.2","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O8 S -","- C19 H22 N2 O8 S -","- C38 H44 N4 O16 S2 -","2","1","","Tuo, Shi-Chuan; Ye, Jian-Liang; Wang, Ai-E; Huang, Su-Yu; Huang, Pei-Qiang","Concise asymmetric total synthesis of 9-epi-sessilifoliamide J.","Organic letters","2011","13","19","5270","5273","10.1021/ol202140y","","","0.71073","MoKα","","0.0555","0.0439","","","0.127","0.1358","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502489","21.77","0.0007","12.9719","0.0004","14.4182","0.0005","90","","94.7022","0.0004","90","","4058","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 N4 O19 -","- C38 H32 N4 O19 -","- C152 H128 N16 O76 -","4","1","","Peng, Wenjie; Jayasuriya, Anushka B.; Imamura, Akihiro; Lowary, Todd L.","Synthesis of the 6-O-methyl-D-glycero-α-L-gluco-heptopyranose moiety present in the capsular polysaccharide from Campylobacter jejuni NCTC 11168.","Organic letters","2011","13","19","5290","5293","10.1021/ol202152r","","","0.71073","MoKα","","0.036","0.0343","","","0.0926","0.0943","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502490","10.7995","0.0006","13.1022","0.0007","17.6868","0.0008","90","","103.862","0.001","90","","2429.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 N2 O3 S -","- C27 H20 Cl2 N2 O3 S -","- C108 H80 Cl8 N8 O12 S4 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Copper(I)-catalyzed three component reaction of sulfonyl azide, alkyne, and nitrone cycloaddition/rearrangement cascades: a novel one-step synthesis of imidazolidin-4-ones.","Organic letters","2011","13","21","5728","5731","10.1021/ol202164x","","","0.71073","MoKα","","0.0608","0.0415","","","0.1176","0.1348","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502491","8.974","0.009","14.304","0.014","24.8","0.02","90","","90","","90","","3183","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N2 O10 -","- C32 H34 N2 O10 -","- C128 H136 N8 O40 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.0694","0.0495","","","0.1036","0.1118","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502492","12.793","0.016","13.184","0.016","21.65","0.03","90","","90","","90","","3652","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N2 O9 S -","- C40 H40 N2 O9 S -","- C160 H160 N8 O36 S4 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.2325","0.0664","","","0.0868","0.1368","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502493","11.641","0.004","13.621","0.004","8.8","0.004","90","","99.28","0.02","90","","1377.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Wrigglesworth, Joe W.; Cox, Brian; Lloyd-Jones, Guy C; Booker-Milburn, Kevin I","New heteroannulation reactions of N-alkoxybenzamides by Pd(II) catalyzed C-H activation.","Organic letters","2011","13","19","5326","5329","10.1021/ol202187h","","","1.54178","CuKα","","0.1617","0.096","","","0.2025","0.2471","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502494","8.0942","0.001","34.437","0.004","9.1647","0.0011","90","","90.491","0.002","90","","2554.5","0.5","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 I -","- C15 H15 I -","- C120 H120 I8 -","8","2","","Liu, Hui; Chen, Chen; Wang, Limin; Tong, Xiaofeng","Pd(0)-catalyzed iodoalkynation of norbornene scaffolds: the remarkable solvent effect on reaction pathway.","Organic letters","2011","13","19","5072","5075","10.1021/ol2022388","","","0.71073","MoKα","","0.1035","0.0958","","","0.2388","0.2431","","","","","","1.241","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502495","8.521","0.0008","8.5892","0.0008","16.5795","0.0015","90","","104.826","0.001","90","","1173.03","0.19","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","","Nicolaou, K. C.; Sun, Ya-Ping; Sarlah, David; Zhan, Weiqiang; Wu, T. Robert","Bioinspired synthesis of hirsutellones A, B, and C.","Organic letters","2011","13","20","5708","5710","10.1021/ol202239u","","","0.71073","MoKα","","0.0683","0.0453","","","0.1034","0.1167","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502496","7.949","0.008","9.108","0.009","19.91","0.02","96.996","0.016","91.269","0.016","101.912","0.016","1398","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 O6 -","- C33 H34 O6 -","- C66 H68 O12 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1784","0.0619","","","0.0985","0.1247","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502497","13.7829","0.0011","12.6372","0.001","19.3995","0.0016","90","","91.496","0.001","90","","3377.8","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 O8 -","- C41 H42 O8 -","- C164 H168 O32 -","4","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.112","0.0648","","","0.1716","0.1994","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502498","11.743","0.003","5.2952","0.0012","25.14","0.006","90","","93.61","0.004","90","","1560.1","0.7","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C37 H40 O8 -","- C37 H40 O8 -","- C74 H80 O16 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1256","0.056","","","0.086","0.1022","","","","","","0.823","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502499","6.7081","0.0013","11.086","0.002","11.437","0.002","71.59","0.03","75.66","0.03","81.7","0.03","779.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Qi, Chaorong; Jiang, Huanfeng; Huang, Liangbin; Yuan, Gaoqing; Ren, Yanwei","Carbon dioxide triggered and copper-catalyzed domino reaction: efficient construction of highly substituted 3(2H)-furanones from nitriles and propargylic alcohols.","Organic letters","2011","13","20","5520","5523","10.1021/ol202241r","","","0.71073","MoKα","","0.11","0.057","","","0.1631","0.2609","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502500","7.1319","0.0001","10.2706","0.0001","24.8328","0.0002","90","","90","","90","","1818.98","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","1.54178","CuKα","","0.0295","0.0282","","","0.0733","0.0747","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502501","24.47","0.003","24.47","0.003","7.359","0.001","90","","90","","90","","4406.4","1","298","2","298","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H27.25 N2 O9.63 -","- C19 H27.26 N2 O9.625 -","- C152 H218.08 N16 O77 -","8","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.1903","0.0985","","","0.2179","0.2495","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502502","7.2572","0.0009","10.3636","0.0012","25.073","0.003","90","","90","","90","","1885.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.0641","0.038","","","0.0799","0.0938","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502503","10.1002","0.0002","13.2118","0.0003","16.2598","0.0003","90","","90","","90","","2169.74","0.08","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0425","0.0361","","","0.0982","0.1077","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502504","15.3997","0.0005","6.0444","0.0003","23.8606","0.001","90","","100.45","0.001","90","","2184.15","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 Br2 O3 -","- C26 H20 Br2 O3 -","- C104 H80 Br8 O12 -","4","2","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0426","0.0316","","","0.0604","0.0638","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502505","7.7053","0.0004","13.2135","0.0007","13.4615","0.0008","76.246","0.002","84.746","0.002","79.465","0.002","1307.17","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 Br2 N4 O3 -","- C28 H26 Br2 N4 O3 -","- C56 H52 Br4 N8 O6 -","2","2","","Wanner, Benedikt; Mahatthananchai, Jessada; Bode, Jeffrey W.","Enantioselective synthesis of dihydropyridinones via NHC-catalyzed aza-Claisen reaction.","Organic letters","2011","13","19","5378","5381","10.1021/ol202272t","","","0.71073","MoKα","","0.031","0.0255","","","0.0485","0.0498","","","","","","0.981","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502506","23.5483","0.0011","5.9268","0.0003","11.3734","0.0005","90","","104.05","0.003","90","","1539.85","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Cl N O3 S -","- C14 H20 Cl N O3 S -","- C56 H80 Cl4 N4 O12 S4 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","0.71073","MoKα","","0.0406","0.0318","","","0.0686","0.0724","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502507","10.2144","0.0008","5.5884","0.0004","13.5096","0.0011","90","","98.294","0.004","90","","763.09","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.0323","0.032","","","0.0839","0.0844","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502508","10.3717","0.0002","16.0215","0.0003","24.5159","0.0004","90","","90","","90","","4073.81","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C176 H208 N16 O32 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.027","0.0268","","","0.0678","0.068","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502509","12.7","0.003","8.476","0.0018","19.349","0.004","90","","94.229","0.003","90","","2077.2","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S Si -","- C22 H25 N O2 S Si -","- C88 H100 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.056","0.0477","","","0.1326","0.1411","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502510","18.035","0.003","10.731","0.0015","11.3278","0.0015","90","","101.024","0.002","90","","2151.9","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O2 S Si -","- C22 H24 F N O2 S Si -","- C88 H96 F4 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0683","0.0555","","","0.1524","0.1651","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502511","18.3078","0.0013","10.835","0.0008","11.5876","0.0008","90","","103.219","0.001","90","","2237.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O3 S Si -","- C23 H27 N O3 S Si -","- C92 H108 N4 O12 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0558","0.0474","","","0.1321","0.1403","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502512","15.3585","0.001","15.4826","0.001","9.8612","0.0007","90","","97.621","0.001","90","","2324.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O2 S Si -","- C26 H27 N O2 S Si -","- C104 H108 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0746","0.0554","","","0.1427","0.1563","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502513","7.468","0.003","19.561","0.008","11.277","0.004","90","","90","","90","","1647.4","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Ren, Zhi-Hui; Zhang, Zhi-Yuan; Yang, Bing-Qin; Wang, Yao-Yu; Guan, Zheng-Hui","Copper-catalyzed coupling of oxime acetates with aldehydes: a new strategy for synthesis of pyridines.","Organic letters","2011","13","19","5394","5397","10.1021/ol202290y","","","0.71073","MoKα","","0.1543","0.0553","","","0.1201","0.1658","","","","","","0.89","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502514","10.1786","0.0002","10.4497","0.0002","19.1308","0.0004","90","","90","","90","","2034.82","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","0.71073","MoKα","","0.0245","0.0222","","","0.0569","0.0579","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502515","10.5196","0.0003","11.1008","0.0003","16.8401","0.0004","90","","90","","90","","1966.52","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","1.54178","CuKα","","0.093","0.0834","","","0.1637","0.1698","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502516","6.0456","0.0006","9.8728","0.001","23.236","0.002","90","","93.94","0.001","90","","1383.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H29 Br O5 -","- C31 H29 Br O5 -","- C62 H58 Br2 O10 -","2","1","","Ashtekar, Kumar Dilip; Staples, Richard J.; Borhan, Babak","Development of a formal catalytic asymmetric [4+2] addition of ethyl-2,3-butadienoate with acyclic enones.","Organic letters","2011","13","21","5732","5735","10.1021/ol202301f","","x-ray","0.71073","MoKα","","0.0876","0.0514","","","0.0962","0.1096","","","","","","1.034","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502517","6.004","0.004","11.472","0.007","14.442","0.009","106.29","0.009","96.565","0.009","97.311","0.009","935.2","1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C42 H48 O10 -","2","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0854","0.0773","","","0.2189","0.23","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502518","12.355","0.018","13.259","0.019","12.748","0.019","90","","110.52","0.03","90","","1956","5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0993","0.053","","","0.1328","0.1692","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502519","12.5736","0.0007","15.875","0.0008","16.524","0.0008","90","","94.695","0.002","90","","3287.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Au Cl P -","- C33 H53 Au Cl P -","- C132 H212 Au4 Cl4 P4 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0345","0.0269","","","0.072","0.0785","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502520","8.0667","0.0002","8.2677","0.0002","14.2711","0.0003","90","","101.049","0.001","90","","934.14","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","2","","Magauer, Thomas; Myers, Andrew G.","Short and efficient synthetic route to methyl α-trioxacarcinoside B and anomerically activated derivatives.","Organic letters","2011","13","20","5584","5587","10.1021/ol202315m","","","1.54178","CuKα","","0.0251","0.0249","","","0.0638","0.064","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502521","19.502","0.009","19.502","0.009","13.648","0.013","90","","90","","120","","4495","5","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C189 H216 N18 O36 -","9","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1515","0.0634","","","0.1149","0.1407","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502522","10.73","0.006","9.321","0.006","12.255","0.007","90","","100.86","0.005","90","","1203.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1022","0.0506","","","0.1067","0.1273","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502523","11.447","0.003","6.649","0.002","14.217","0.004","90","","110.166","0.003","90","","1015.7","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C50 H52 O4 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.0688","0.0443","","","0.0923","0.1059","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502524","10.00787","0.00016","26.3372","0.0005","10.8051","0.0002","90","","99.8553","0.0016","90","","2805.97","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.0391","0.0356","","","0.0958","0.0993","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502525","7.72443","0.00017","8.2531","0.0003","19.2848","0.0007","90","","96.121","0.003","90","","1222.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.1073","0.0531","","","0.0933","0.1089","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502526","7.8787","0.0015","11.789","0.002","26.185","0.005","90","","90","","90","","2432.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N O5 -","- C25 H26 Br N O5 -","- C100 H104 Br4 N4 O20 -","4","1","","Teng, Huai-Long; Luo, Fei-Long; Tao, Hai-Yan; Wang, Chun-Jiang","A facile Cu(I)/BINAP-catalyzed asymmetric approach to functionalized pyroglutamate derivatives bearing a unique quaternary stereogenic center.","Organic letters","2011","13","20","5600","5603","10.1021/ol202326j","","","0.71073","MoKα","","0.1036","0.042","","","0.0908","0.1116","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502527","5.296","0.002","12.43","0.005","20.001","0.008","90","","90","","90","","1316.7","0.9","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-5-chloro-1-methyl-3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)-indolin-2-one","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","","Gutierrez, Elisa G.; Wong, Casey J.; Sahin, Aziza H.; Franz, Annaliese K.","Enantioselective and regioselective indium(III)-catalyzed addition of pyrroles to isatins.","Organic letters","2011","13","21","5754","5757","10.1021/ol202329s","","","0.71073","MoKα","","0.0698","0.0505","","","0.1171","0.1356","","","","","","1.196","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502528","9.6671","0.0002","10.0197","0.0002","16.6629","0.0004","90","","90","","90","","1613.99","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0597","0.0356","","","0.0838","0.0919","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502529","12.3284","0.0009","5.9912","0.0004","12.3764","0.0009","90","","111.414","0.0014","90","","851.04","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O5 -","- C19 H14 Br N O5 -","- C38 H28 Br2 N2 O10 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502530","11.4074","0.001","25.629","0.003","16.6602","0.0013","90","","106.959","0.007","90","","4659","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B F2 N3 O2 -","- C29 H22.5 B F2 N3 O2 -","- C232 H180 B8 F16 N24 O16 -","8","2","","Chen, Yuting; Wan, Liang; Yu, Xiang; Li, Wenjun; Bian, Yongzhong; Jiang, Jianzhuang","Rational Design and Synthesis for Versatile FRET Ratiometric Sensor for Hg2+ and Fe2+: A Flexible 8-Hydroxyquinoline Benzoate Linked Bodipy-Porphyrin Dyad","Organic letters","2011","13","21","5774","5777","10.1021/ol202338c","","","0.71073","MoKα","","0.2278","0.0897","","","0.0972","0.1225","","","","","","0.978","","","","has coordinates","210341","2020-10-21","18:00:00",""
"1502531","9.1654","0.0014","24.62","0.002","39.168","0.003","90","","93.635","0.006","90","","8820.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 Cl18 N8 O4 S -","- C84 H84 Cl12 N8 O4 S -","- C336 H336 Cl48 N32 O16 S4 -","4","1","","Roznyatovskiy, Vladimir V.; Lim, Jong Min; Lynch, Vincent M.; Lee, Byung Sun; Kim, Dongho; Sessler, Jonathan L.","π-Extension in expanded porphyrins: cyclo[4]naphthobipyrrole.","Organic letters","2011","13","20","5620","5623","10.1021/ol2023449","","","0.71075","MoKα","","0.1106","0.0916","","","0.2427","0.2522","","","","","","1.588","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502532","10.3739","0.001","15.4972","0.0014","11.9293","0.0011","90","","102.157","0.002","90","","1874.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Yu, Fangmiao; Cheng, Bin; Zhai, Hongbin","Fast and protecting-group-free synthesis of (±)-subincanadine C.","Organic letters","2011","13","21","5782","5783","10.1021/ol202349g","","","0.71073","MoKα","","0.1418","0.0469","","","0.0768","0.0992","","","","","","0.846","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502533","8.631","0.0011","12.0157","0.0014","22.767","0.003","90","","90","","90","","2361.1","0.5","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 -","- C29 H25 Br N2 -","- C116 H100 Br4 N8 -","4","1","","Cheng, Dao-Juan; Wu, Hai-Bian; Tian, Shi-Kai","Catalytic asymmetric Pictet-Spengler-type reaction for the synthesis of optically active indolo[3,4-cd][1]benzazepines.","Organic letters","2011","13","20","5636","5639","10.1021/ol202361t","","","0.71073","MoKα","","0.0578","0.0444","","","0.1074","0.1152","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502534","10.901","0.005","9.946","0.005","26.646","0.01","90","","100.45","0.01","90","","2841","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1-ethoxy-2-(4-nitrophenylsulfonamido) -2-phenylethyl)-N-phenylbenzenesulfonamide","","- C28 H27 N3 O7 S2 -","- C28 H27 N3 O7 S2 -","- C112 H108 N12 O28 S8 -","4","1","","Nakanishi, Masafumi; Minard, Corinne; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Copper(I) catalyzed regioselective asymmetric alkoxyamination of aryl enamide derivatives.","Organic letters","2011","13","21","5792","5795","10.1021/ol202367d","","","0.71069","MoKα","","0.0806","0.0484","","","0.1142","0.1293","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502535","17.577","0.005","7.597","0.005","13.745","0.005","90","0.005","90","0.005","90","0.005","1835.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71073","MoKα","","0.0576","0.0491","","","0.112","0.1183","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502536","8.119","0.005","8.143","0.005","12.748","0.005","78.88","0.005","78.684","0.005","84.081","0.005","809","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N2 O2 S -","- C18 H19 N2 O2 S -","- C36 H38 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1537","0.092","","","0.212","0.2696","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502537","9.01","0.005","12.674","0.005","15.667","0.005","90","0.005","90","0.005","90","0.005","1789.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N2 O2 S -","- C20 H23 N2 O2 S -","- C80 H92 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1186","0.0871","","","0.2279","0.298","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502538","5.7256","0.0018","16.786","0.005","17.572","0.006","90","","90","","90","","1688.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Turner, Heather M.; Patel, Jignesh; Niljianskul, Nootaree; Chong, J. Michael","Binaphthol-catalyzed asymmetric conjugate arylboration of enones.","Organic letters","2011","13","21","5796","5799","10.1021/ol202391r","","","0.71073","MoKα","","0.0428","0.0328","","","0.0758","0.0803","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502539","25.6392","0.0003","14.1998","0.0002","34.5075","0.0005","90","","98.0857","0.0007","90","","12438.3","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 N2 O7 S Si -","- C29 H36 N2 O7 S Si -","- C464 H576 N32 O112 S16 Si16 -","16","2","","Petit, Laurent; Banwell, Martin G.; Willis, Anthony C.","The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction.","Organic letters","2011","13","21","5800","5803","10.1021/ol2023938","","","0.71073","MoKα","","0.0966","0.0586","","0.1638","0.1305","0.1638","","","","","","0.9688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502540","9.6554","0.0009","18.4922","0.0017","14.7179","0.0014","90","","103.367","0.002","90","","2556.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F3 N O4 P S -","- C28 H25 F3 N O4 P S -","- C112 H100 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0479","0.0406","","","0.1005","0.105","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502541","13.3873","0.0013","12.8784","0.0012","15.8361","0.0015","90","","102.499","0.002","90","","2665.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 F3 N O4 P S -","- C29 H27 F3 N O4 P S -","- C116 H108 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0655","0.0627","","","0.1291","0.1305","","","","","","1.269","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502542","10.6951","0.0008","13.5333","0.0011","23.7192","0.0017","90","","96.348","0.002","90","","3412.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl3 F3 N2 O5 P S -","- C35 H27 Cl3 F3 N2 O5 P S -","- C140 H108 Cl12 F12 N8 O20 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0471","0.0435","","","0.1205","0.1234","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502543","14.678","0.005","7.811","0.002","15.078","0.005","90","","96.149","0.006","90","","1718.7","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N4 O4 S -","- C13 H19 Br N4 O4 S -","- C52 H76 Br4 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.1358","0.1169","","","0.2633","0.27","","","","","","1.24","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502544","7.6282","0.0006","22.4368","0.0019","10.6878","0.0009","90","","104.129","0.002","90","","1773.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O4 S -","- C16 H22 N4 O4 S -","- C64 H88 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.05","0.0472","","","0.1307","0.133","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502545","8.0247","0.0005","9.3837","0.0006","21.6308","0.0013","90","","90","","90","","1628.83","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O2 S -","- C15 H23 N3 O2 S -","- C60 H92 N12 O8 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0352","0.0339","","","0.0879","0.0889","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502546","6.6805","0.0012","21.133","0.004","15.804","0.003","90","","92.518","0.004","90","","2229","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F2 N4 O4 S -","- C23 H20 F2 N4 O4 S -","- C92 H80 F8 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0573","0.0487","","","0.126","0.1317","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502547","7.9534","0.0005","9.0801","0.0006","12.9399","0.0008","101.558","0.001","105.069","0.001","95.001","0.001","874.43","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C36 H36 N8 O8 S2 -","2","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.04","0.0373","","","0.1","0.1018","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502548","14.087","0.003","24.772","0.005","26.889","0.005","98.87","0.03","96.79","0.03","92.84","0.03","9184","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H84 F30 N4 O20 P5 -","- C108 H84 F29.3333 N4 O20 P5 -","- C324 H252 F88 N12 O60 P15 -","3","1.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.2659","0.2277","","","0.5147","0.5319","","","","","","2.602","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1502549","13.254","0.003","14.157","0.003","17.402","0.004","75.74","0.03","89.09","0.03","68.84","0.03","2941.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","1","0.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.0946","0.0773","","","0.1974","0.2112","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502550","10.3649","0.0016","13.029","0.002","8.3029","0.001","90","","109.022","0.005","90","","1060","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F3 O3 -","- C11 H11 F3 O3 -","- C44 H44 F12 O12 -","4","1","","Morandi, Bill; Carreira, Erick M.","Expedient preparation of trifluoromethyl-substituted benzofuranols.","Organic letters","2011","13","22","5984","5985","10.1021/ol202423s","","","0.71073","MoKα","","0.0533","0.0376","","","0.113","0.1345","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502551","17.41","0.0006","62.6791","0.0016","9.6861","0.0002","90","","90","","90","","10569.9","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O6 -","- C30 H29 N O6 -","- C480 H464 N16 O96 -","16","1","","Sathishkannan, Gopal; Srinivasan, Kannupal","Highly diastereoselective synthesis of 1-pyrrolines via SnCl4-promoted [3 + 2] cycloaddition between activated donor-acceptor cyclopropanes and nitriles.","Organic letters","2011","13","22","6002","6005","10.1021/ol2024423","","","0.71073","MoKα","","0.0333","0.0288","","","0.0673","0.0731","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502552","12.705","0.01","9.521","0.006","19.28","0.004","90","","94.137","0.004","90","","2326","2","213.1","","213.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","One-pot synthesis of asymmetric annulated bis(pyrrole)s.","Organic letters","2011","13","21","5846","5849","10.1021/ol202457n","","","0.7107","MoKα","","","0.0596","","","","0.0674","","","","","","1.127","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502553","8.4312","0.0002","8.9716","0.0002","28.7625","0.001","90","","90","","90","","2175.63","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C88 H96 O16 S8 -","4","1","","Hong, Wan Pyo; Noshi, Mohammad N.; El-Awa, Ahmad; Fuchs, Philip L.","Synthesis of the C1-C20 and C15-C27 segments of aplyronine A.","Organic letters","2011","13","24","6342","6345","10.1021/ol2024746","","","0.71073","MO-Kα","","0.069","0.048","","","0.104","0.114","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502554","9.1517","0.0016","11.6955","0.0016","14.998","0.003","78.566","0.009","86.834","0.009","68.817","0.007","1466.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N4 O3 S -","- C36 H34 N4 O3 S -","- C72 H68 N8 O6 S2 -","2","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0761","0.0665","","","0.1535","0.16","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502555","11.46","0.002","13.277","0.002","12.839","0.002","90","","94.73","0.03","90","","1946.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 N4 -","- C22 H20 Cl2 N4 -","- C88 H80 Cl8 N16 -","4","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0711","0.0651","","","0.1598","0.1645","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502556","9.2014","0.0006","10.1359","0.0007","10.2245","0.0007","64.747","0.001","83.99","0.001","68.197","0.001","799.12","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0894","0.094","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502557","12.5784","0.0013","13.3052","0.0014","10.4263","0.0011","90","","114.434","0.001","90","","1588.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0451","0.0374","","","0.0999","0.1042","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502558","6.434","0.0007","14.8481","0.0016","16.841","0.002","80.523","0.009","86.191","0.009","86.07","0.009","1580.7","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.1159","0.0662","","","0.1539","0.1782","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502559","9.9476","0.001","12.6198","0.0012","14.2649","0.0014","90","","107.977","0.002","90","","1703.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0998","0.0513","","","0.0841","0.0984","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502560","5.9436","0.0002","8.0046","0.0003","18.5428","0.0007","101.216","0.001","93.223","0.001","100.92","0.001","845.7","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0416","0.0353","","","0.0924","0.0977","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502561","10.1514","0.0005","18.0417","0.0011","18.4086","0.001","90","","90","","90","","3371.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.0397","0.0313","","","0.0783","0.0831","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502562","16.347","0.006","18.415","0.007","14.637","0.005","90","","105.02","0.005","90","","4256","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O3 -","- C29 H18 O3 -","- C232 H144 O24 -","8","2","","Luo, Yong; Wu, Jie","A new insight into palladium-catalyzed reaction of 2-alkynylphenol with carbon monoxide.","Organic letters","2011","13","21","5858","5861","10.1021/ol202478u","","","0.71073","MoKα","","0.093","0.0449","","","0.0981","0.1152","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502563","8.9778","0.0006","14.529","0.0011","12.2226","0.0009","90","","100.458","0.003","90","","1567.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl4 N2 O4 P Pd -","- C29 H27 Cl4 N2 O4 P Pd -","- C58 H54 Cl8 N4 O8 P2 Pd2 -","2","1","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.03","0.0264","","","0.0625","0.0751","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502564","39.8657","0.0012","39.8657","0.0012","38.2114","0.0013","90","","90","","90","","60728","3","103","2","103","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C108 H104 Cl2 N2 O2 P2 Pd2 -","- C84 H80 Cl2 N2 O2 P2 Pd2 -","- C2016 H1920 Cl48 N48 O48 P48 Pd48 -","24","1.5","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.0891","0.0665","","","0.1648","0.1752","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502565","8.185","0.002","9.222","0.002","10.247","0.002","69.237","0.008","80.106","0.008","84.347","0.009","711.9","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","1","1","","Zhou, Si-Li; Li, Jun-Long; Dong, Lin; Chen, Ying-Chun","Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity.","Organic letters","2011","13","21","5874","5877","10.1021/ol202492x","","","0.71073","MoKα","","0.0464","0.04","","","0.0814","0.0837","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502566","5.3199","0.0003","10.5254","0.0006","12.2657","0.0009","71.587","0.006","82.118","0.005","75.89","0.005","630.63","0.07","140","1","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C32 H36 O4 -","1","0.5","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Schubert, Christopher P. J.; Gopee, Hemant; Hughes, David L.; Gonzalez-Lucas, Daniel","Unexpected phenol production from arylboronic acids under palladium-free conditions; organocatalyzed air oxidation.","Organic letters","2011","13","22","6034","6037","10.1021/ol202500z","","","0.71073","Mo-Kα","","0.0704","0.0414","","","0.1063","0.1138","","","","","","0.964","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502567","12.6694","0.0003","17.4024","0.0003","19.0265","0.0004","90","","109.603","0.001","90","","3951.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","doMM","","","- C72 H20 O2 Si -","- C72 H20 O2 Si -","- C288 H80 O8 Si4 -","4","1","","Zhang, Ying; Matsuo, Yutaka; Nakamura, Eiichi","Regiocontrolled synthesis of 1,2-di(organo)fullerenes via copper-assisted 1,4-aryl migration from silicon to carbon.","Organic letters","2011","13","22","6058","6061","10.1021/ol202511u","","","1.54187","CuKα","","0.1325","0.1064","","","0.2837","0.3095","","","","","","1.688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502568","6.2191","0.001","10.17","0.0016","15.271","0.002","106.094","0.002","96.229","0.003","99.146","0.003","904.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 N O S2 Si -","- C16 H23 N O S2 Si -","- C32 H46 N2 O2 S4 Si2 -","2","1","","Eberhart, Andrew J.; Imbriglio, Jason E.; Procter, David J.","Nucleophilic ortho allylation of aryl and heteroaryl sulfoxides.","Organic letters","2011","13","21","5882","5885","10.1021/ol2025197","","","0.71073","MoKα","","0.0817","0.073","","","0.1344","0.1372","","","","","","1.406","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502569","14.0044","0.0003","8.34399","0.00015","18.0791","0.0004","90","","102.479","0.0007","90","","2062.68","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18.667 N2 O7.333 -","- C12 H18.6667 N2 O7.33333 -","- C72 H112 N12 O44 -","6","3","","Mori, Kazuto; Kodama, Tetsuya; Obika, Satoshi","Design, Synthesis, and Properties of Boat-Shaped Glucopyranosyl Nucleic Acid","Organic Letters","2011","13","22","6050","6053","10.1021/ol2025229","","","1.54187","CuKα","","","0.0476","","","","0.0723","","","","","","1.004","","","","has coordinates","210342","2020-10-21","18:00:00",""
"1502570","8.8276","0.0018","11.186","0.002","12.244","0.002","90","","107.07","0.03","90","","1155.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Br N O2 S -","- C22 H36 Br N O2 S -","- C44 H72 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0387","0.0359","","","0.0769","0.0785","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502571","9.439","0.002","11.246","0.003","13.111","0.003","90","","109.97","0.03","90","","1308.1","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Br N O2 S -","- C26 H42 Br N O2 S -","- C52 H84 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0378","0.035","","","0.0725","0.0743","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502572","6.9024","0.0014","7.5807","0.0015","18.512","0.004","90","","91.49","0.03","90","","968.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 Br N2 O4 S -","- C17 H25 Br N2 O4 S -","- C34 H50 Br2 N4 O8 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0423","0.0401","","","0.0851","0.087","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502573","14.467","0.006","17.927","0.007","11.676","0.004","90","","91.572","0.008","90","","3027","2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29.25 H42 N4 O6.25 -","- C29.25 H42 N4 O6.25 -","- C117 H168 N16 O25 -","4","1","","Feldman, Ken S.; Ngernmeesri, Paiboon","Total synthesis of (±)-dragmacidin E.","Organic letters","2011","13","20","5704","5707","10.1021/ol202535f","","","0.71073","MoKα","","0.1313","0.0733","","","0.1772","0.207","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502574","15.2751","0.0004","11.0342","0.0006","14.3941","0.0009","90","","117.12","0.003","90","","2159.4","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 S3 -","- C24 H30 S3 -","- C96 H120 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0929","0.0771","","0.0887","0.0859","0.0859","","","","","","1.0233","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502575","15.639","0.0003","10.844","0.0003","19.8682","0.0005","90","","104.266","0.0015","90","","3265.54","0.14","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 S3 -","- C36 H54 S3 -","- C144 H216 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0597","0.047","","0.0514","0.0506","0.0506","","","","","","1.0934","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502576","12.722","0.003","4.8282","0.0011","19.81","0.005","90","","96.755","0.005","90","","1208.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C48 H56 Br4 N4 O8 -","4","2","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Highly enantioselective and regioselective substitution of Morita-Baylis-Hillman carbonates with nitroalkanes.","Organic letters","2011","13","22","6070","6073","10.1021/ol202555v","","","0.71073","MoKα","","0.0569","0.0443","","","0.1054","0.1118","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502577","7.0739","0.0009","13.657","0.0016","14.9355","0.0018","90","","90","","90","","1442.9","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0336","0.0316","","","0.0738","0.0754","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502578","8.672","0.003","9.491","0.003","9.253","0.003","90","","112.782","0.006","90","","702.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0352","0.0316","","","0.0779","0.0803","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502579","9.6714","0.0016","18.83","0.002","15.545","0.003","90","","107.467","0.004","90","","2700.4","0.7","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B N2 O6 -","- C27 H33 B N2 O6 -","- C108 H132 B4 N8 O24 -","4","1","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0675","0.0555","","","0.144","0.1552","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502580","10.5944","0.0007","13.0865","0.0003","16.832","0.0007","67.483","0.009","78.456","0.011","69.451","0.009","2012.7","0.2","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0733","0.054","","","0.1295","0.1449","","","","","","1.105","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502581","19.0367","0.0006","4.9902","0.0002","19.2908","0.0007","90","","108.317","0.002","90","","1739.71","0.11","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Lee, Byeongno; Lee, Kyu Hyung; Cho, Jaeheung; Nam, Wonwoo; Hur, Nam Hwi","Synthesis of azines in solid state: reactivity of solid hydrazine with aldehydes and ketones.","Organic letters","2011","13","24","6386","6389","10.1021/ol202593g","","","0.71073","MoKα","","0.0484","0.0387","","","0.0971","0.1075","","","","","","0.835","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502582","12.6449","0.0006","17.7036","0.0009","23.2599","0.0012","90","","90","","90","","5207","0.5","111","2","111","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- C26 H44 Si2 -","- C26 H44 Si2 -","- C208 H352 Si16 -","8","2","","Kinoshita, Hidenori; Ishikawa, Tomoyuki; Miura, Katsukiyo","Dialkylaluminum hydride-promoted cyclodimerization of silylated 1,3-enynes via skeletal rearrangement.","Organic letters","2011","13","23","6192","6195","10.1021/ol202601s","","","0.71073","MoKα","","0.0489","0.0411","","","0.1253","0.1379","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502583","10.2162","0.0004","11.3789","0.0004","12.256","0.0004","103.179","0.001","90.521","0.001","94.858","0.001","1381.65","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Li, Lei; Zhang, Junliang","Lewis acid-catalyzed [3 + 2]cyclo-addition of alkynes with N-tosyl-aziridines via carbon-carbon bond cleavage: synthesis of highly substituted 3-pyrrolines.","Organic letters","2011","13","22","5940","5943","10.1021/ol202603e","","","0.71073","MoKα","","0.0487","0.0447","","","0.1225","0.1275","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502584","8.1512","0.0004","17.576","0.001","17.2991","0.001","90","","102.651","0.001","90","","2418.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C24 H30 Br N O4 Si -","- C24 H30 Br N O4 Si -","- C96 H120 Br4 N4 O16 Si4 -","4","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0327","0.0262","","","0.0526","0.0541","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502585","5.9348","0.0004","8.4805","0.0005","15.4624","0.0009","90.9745","0.0009","97.1725","0.0009","90.8725","0.0009","771.9","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","organic","organic","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0381","0.036","","","0.0717","0.0726","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502586","8.797","0.004","9.896","0.005","22.154","0.011","95.763","0.01","92.756","0.01","98.775","0.013","1892.5","1.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","2","","Hu, Bao; Wang, Zhao; Ai, Ning; Zheng, Jie; Liu, Xing-Hai; Shan, Shang; Wang, Zhongwen","Catalyst-free preparation of 1,2,4,5-tetrasubstituted imidazoles from a novel unexpected domino reaction of 2-azido acrylates and nitrones.","Organic letters","2011","13","24","6362","6365","10.1021/ol202650z","","","0.71073","MoKα","","0.0975","0.042","","","0.0759","0.1015","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502587","10.6512","0.0004","16.4297","0.0006","17.8203","0.0007","76.573","0.003","79.336","0.003","85.849","0.003","2979.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H64 F12 N4 O12 P2 -","- C61 H64 F12 N4 O12 P2 -","- C122 H128 F24 N8 O24 P4 -","2","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0732","0.0481","","","0.1076","0.123","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502588","10.17908","0.00016","15.1636","0.0002","38.4029","0.0007","90","","89.9136","0.0015","90","","5927.54","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 F12 N3 O15 P2 -","- C54 H67 F12 N3 O15 P2 -","- C216 H268 F48 N12 O60 P8 -","4","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0951","0.0822","","","0.2282","0.2424","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502589","38.108","0.004","3.8376","0.0005","21.281","0.002","90","","108.88","0.008","90","","2944.8","0.6","100.15","","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C176 H96 S16 -","8","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54184","CuKα","","0.1073","0.0635","","","0.1331","0.1527","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502590","20.3514","0.0003","3.7882","0.0001","21.2429","0.0004","90","","118.588","0.001","90","","1438.06","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N2 S2 -","- C20 H10 N2 S2 -","- C80 H40 N8 S8 -","4","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54178","CuKα","","0.0348","0.0328","","","0.0855","0.0872","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502591","6.3501","0.0004","14.4176","0.0008","16.3945","0.001","90","","90","","90","","1500.97","0.16","223.1","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Calter, Michael A.; Korotkov, Alexander","Catalytic, asymmetric, interrupted Feist-Bénary reactions of α-tosyloxyacetophenones.","Organic letters","2011","13","23","6328","6330","10.1021/ol2026697","","","0.71075","MoKα","","","0.0462","","","","0.1081","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502592","6.8234","0.0001","22.6101","0.0005","9.6941","0.0002","90","","107.665","0.001","90","","1425.06","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H18 I N O2 -","- C13 H18 I N O2 -","- C52 H72 I4 N4 O8 -","4","1","","Tasker, Sarah Z.; Brandsen, Benjamin M.; Ryu, Keun Ah; Snapper, Gregory S.; Staples, Richard J.; DeKock, Roger L.; Anderson, Carolyn E.","Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.","Organic letters","2011","13","23","6224","6227","10.1021/ol202679t","","x-ray","0.71073","MoKα","","0.0261","0.0208","","","0.041","0.0423","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502593","8.327","0.002","11.225","0.003","16.443","0.005","108.255","0.005","96.36","0.005","91.162","0.003","1448.1","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","4","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0629","0.0574","","","0.1133","0.1176","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502594","7.6443","0.0015","9.925","0.002","31.114","0.006","90","","90","","90","","2360.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O4 S -","- C27 H24 N2 O4 S -","- C108 H96 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0508","0.0466","","","0.0883","0.0906","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502595","7.889","0.0016","17.297","0.004","22.433","0.005","90","","90","","90","","3061.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi","Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes.","Organic letters","2011","13","24","6390","6393","10.1021/ol202691b","","","0.71073","MoKα","","0.0498","0.0393","","","0.1068","0.1103","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502596","11.166","0.004","12.401","0.002","12.834","0.003","90","","92.813","0.014","90","","1775","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F3 N O3 S -","- C16 H22 F3 N O3 S -","- C64 H88 F12 N4 O12 S4 -","4","1","","Maeda, Ryoko; Ishibashi, Rie; Kamaishi, Ryo; Hirotaki, Kensuke; Furuno, Hiroshi; Hanamoto, Takeshi","AgSbF6-promoted cycloaddition reaction of 2-trifluoromethyl-N-tosylaziridine with aldehydes.","Organic letters","2011","13","23","6240","6243","10.1021/ol202697y","","","0.71073","MoKα","","0.04","0.0384","","","0.1034","0.1046","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502597","8.03","0.004","9.784","0.005","27.646","0.013","90","","90","","90","","2172","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zheng, Danqing; Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient route to tetrahydroindeno[2,1-b]pyrroles via a base-promoted reaction of (E)-2-alkynylphenylchalcone with 2-isocyanoacetate.","Organic letters","2011","13","24","6402","6405","10.1021/ol202708f","","","0.71073","MoKα","","0.0969","0.0547","","","0.1099","0.1228","","","","","","0.918","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502598","8.3457","0.0013","18.861","0.003","11.0182","0.0017","90","","96.511","0.007","90","","1723.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0424","0.0366","","","0.1029","0.1085","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502599","9.1434","0.0015","13.852","0.002","16.964","0.003","94.441","0.009","102.125","0.008","105.899","0.008","1999.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","2","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.067","0.0498","","","0.1208","0.1307","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502600","12.696","0.0004","8.2166","0.0002","18.0143","0.0006","90","","96.7494","0.0013","90","","1866.19","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0758","0.0482","","0.1345","0.1081","0.1345","","","","","","0.9378","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502601","11.575","0.0004","8.1302","0.0003","16.0924","0.0005","90","","107.288","0.002","90","","1445.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C58 H88 O12 Si2 -","2","1","","Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.","Gram-scale synthesis of the A'B'-subunit of angelmicin B.","Organic letters","2011","13","24","6436","6439","10.1021/ol202728v","","","0.71073","MoKα","","0.0449","0.0395","","","0.0906","0.0939","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502602","24.901","0.017","7.639","0.005","11.23","0.008","90","","100.741","0.009","90","","2099","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1358","0.0762","","","0.1451","0.172","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502603","14.21","0.02","10.072","0.015","19.29","0.03","90","","90.054","0.015","90","","2761","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1605","0.0702","","","0.1364","0.1758","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502604","15.819","0.017","11.095","0.012","11.877","0.013","90","","90","","90","","2085","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1407","0.0782","","","0.1953","0.2676","","","","","","0.909","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502605","16.582","0.002","9.8096","0.0014","14.674","0.002","90","","107.269","0.004","90","","2279.3","0.5","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","McGarraugh, Patrick G.; Brenner-Moyer, Stacey E","An organocascade kinetic resolution.","Organic letters","2011","13","24","6460","6463","10.1021/ol2027587","","","0.71075","MoKα","","","0.0736","","","","0.1664","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502606","7.141","0.004","7.661","0.004","22.911","0.011","99.035","0.012","92.721","0.015","94.612","0.013","1231.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","H_BF2","","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C52 H44 B4 F8 N8 O4 -","4","2","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.082","0.0543","","","0.1531","0.174","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502607","8.812","0.004","11.747","0.006","19.548","0.01","90","","90.68","0.007","90","","2023.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ph_BPh2","phenyl BPh2","","- C25 H21 B N2 O -","- C25 H21 B N2 O -","- C100 H84 B4 N8 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0649","0.0519","","","0.1465","0.1591","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502608","12.294","0.003","8.786","0.002","21.378","0.006","90","","98.416","0.003","90","","2284.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NMe2_BPh2","dimethylaminophenyl BPh2","","- C27 H26 B N3 O -","- C27 H26 B N3 O -","- C108 H104 B4 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0691","0.0565","","","0.1533","0.1651","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502609","7.632","0.003","11.523","0.005","16.749","0.008","90","","98.856","0.006","90","","1455.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","NMe2_BF2","","","- C15 H16 B F2 N3 O -","- C15 H16 B F2 N3 O -","- C60 H64 B4 F8 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.1839","0.1153","","","0.2703","0.2966","","","","","","1.44","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502610","13.4488","0.0009","12.1633","0.0008","18.4592","0.0013","90","","108.832","0.002","90","","2857.9","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 O5 Si2 -","- C28 H38 O5 Si2 -","- C112 H152 O20 Si8 -","4","2","","Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio","Total synthesis of polygalolide A.","Organic letters","2011","13","24","6532","6535","10.1021/ol2028256","","","0.71073","MoKα","","0.0904","0.0529","","","0.1072","0.1254","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502611","8.107","0.002","8.585","0.002","9.637","0.002","112.308","0.004","107.086","0.004","97.024","0.005","572","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Grillet, Francois; Huang, Chaofeng; Brummond, Kay M.","An allenic Pauson-Khand approach to 6,12-guaianolides.","Organic letters","2011","13","23","6304","6307","10.1021/ol2028515","","","0.71073","MoKα","","0.0774","0.067","","","0.2023","0.2095","","","","","","1.85","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502612","8.2973","0.0003","29.0172","0.001","9.8779","0.0003","90","","108.728","0.002","90","","2252.33","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl4 N3 Pd -","- C22 H17 Cl4 N3 Pd -","- C88 H68 Cl16 N12 Pd4 -","4","1","","Zhu, Ming-Kui; Zhao, Jun-Feng; Loh, Teck-Peng","Palladium-catalyzed C-C bond formation of arylhydrazines with olefins via carbon-nitrogen bond cleavage.","Organic letters","2011","13","23","6308","6311","10.1021/ol202862t","","","0.71073","MoKα","","0.0438","0.0355","","","0.0717","0.0755","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502613","7.8221","0.0005","14.5983","0.0008","27.4837","0.0016","90","","90","","90","","3138.3","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.057","0.0372","","","0.0912","0.1007","","","","","","0.984","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502614","16.127","0.002","9.1351","0.0014","12.0699","0.0017","90","","102.693","0.002","90","","1734.7","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.1124","0.0491","","","0.1166","0.1517","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502615","8.8113","0.0015","7.6399","0.0013","13.258","0.002","90","","93.732","0.002","90","","890.6","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.035","0.0332","","","0.0884","0.0903","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502616","15.726","0.005","9.432","0.003","12.59","0.004","90","","103.66","0.004","90","","1814.6","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3c","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.0564","0.0392","","","0.1062","0.1236","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502617","15.473","0.002","18.679","0.003","18.972","0.003","90","","95.737","0.003","90","","5455.8","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl N7 O -","- C31 H28 Cl N7 O -","- C248 H224 Cl8 N56 O8 -","8","2","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Regiospecific functionalization of azacalixaromatics through copper-mediated aryl C-H activation and C-O bond formation.","Organic letters","2011","13","24","6560","6563","10.1021/ol202874n","","","0.71073","MoKα","","0.1323","0.1111","","","0.2639","0.2763","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502618","9.6319","0.0002","10.4594","0.0003","16.7964","0.0005","90","","90","","90","","1692.13","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Fustero, Santos; Rodríguez, Elsa; Herrera, Lidia; Asensio, Amparo; Maestro, Miguel A.; Barrio, Pablo","Intramolecular Michael reaction of tert-butylsulfinyl ketimines: asymmetric synthesis of 3-substituted indanones.","Organic letters","2011","13","24","6564","6567","10.1021/ol2028948","","","0.71073","MoKα","","0.0378","0.0324","","","0.0982","0.1138","","","","","","0.683","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502619","9.4722","0.0002","10.0791","0.0002","16.3227","0.0005","90","","92.756","0.002","90","","1556.55","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 N O3 P -","- C15 H22 N O3 P -","- C60 H88 N4 O12 P4 -","4","2","","Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.","Enantioselective preparation of P-chiral phosphine oxides.","Organic letters","2011","13","24","6576","6579","10.1021/ol202916j","","","0.71073","MoKα","","0.0415","0.0351","","","0.0848","0.097","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502620","6.3728","0.0001","12.4132","0.0001","15.5812","0.0002","90","","90","","90","","1232.58","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1717","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0442","0.0328","","","0.0724","0.0798","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502621","8.5745","0.0002","14.1089","0.0003","8.8408","0.0002","90","","94.154","0.001","90","","1066.72","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","RajanBabu 1724","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0461","0.0346","","","0.0814","0.0864","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1504315","9.0929","0.0009","12.3452","0.0012","22.031","0.002","90","","90","","90","","2473.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Jadhav, Harishchandra S.; Saini, Manmeet B.; Aher, Umesh P.","A Novel Method for Large-Scale Synthesis of Lamivudine through Cocrystal Formation of Racemic Lamivudine with (S)-(−)-1,1′-Bi(2-naphthol) [(S)-(BINOL)]","Organic Process Research & Development","2009","13","3","450","","10.1021/op800228h","","","0.71073","MoKα","","0.0321","0.0292","","","0.077","0.0798","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504316","16.163","0.01","8.953","0.005","22.95","0.014","90","","90","","90","","3321","3","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.0974","0.0452","","","0.1007","0.1176","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504317","16.038","0.012","14.67","0.011","15.634","0.012","90","","116.362","0.011","90","","3296","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.2507","0.0821","","","0.1425","0.1793","","","","","","0.884","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504318","6.0017","0.0002","12.0689","0.0003","29.9339","0.0008","90","","90","","90","","2168.23","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O7 S -","- C21 H33 N O7 S -","- C84 H132 N4 O28 S4 -","4","1","","Kopach, Michael E.; Singh, Utpal K.; Kobierski, Michael E.; Trankle, William G.; Murray, Michael M.; Pietz, Mark A.; Forst, Mindy B.; Stephenson, Gregory A.; Mancuso, Vincent; Giard, Thierry; Vanmarsenille, Michel; DeFrance, Thierry","Practical Synthesis of Chiral 2-Morpholine: (4-Benzylmorpholin-2-(S)-yl)-(tetrahydropyran-4-yl)methanone Mesylate, a Useful Pharmaceutical Intermediate","Organic Process Research & Development","2009","13","2","209","","10.1021/op800247w","","","1.54178","CuKα","","0.0781","0.0608","","","0.165","0.1737","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504319","9.4251","0.0002","9.2575","0.0002","20.1686","0.0005","90","","90","","90","","1759.77","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloropropionanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0428","0.0372","","","0.0863","0.0905","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504320","9.7381","0.0002","10.0151","0.0001","22.9501","0.0004","90","","90","","90","","2238.28","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloro-t-butylanilide","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0401","0.0331","","","0.0812","0.0859","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504321","42.887","0.005","5.1367","0.0005","19.263","0.003","90","","108.372","0.005","90","","4027.3","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","para-Methylbutyranilide","","","- C11 H15 N O -","- C11 H15 N O -","- C176 H240 N16 O16 -","16","2","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.2225","0.1191","","","0.2299","0.2771","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504322","9.1595","0.0008","11.8459","0.001","6.6063","0.0005","90","","93.952","0.006","90","","715.1","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","meta-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0476","0.0401","","","0.0982","0.1023","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504323","10.848","0.0004","9.8017","0.0003","13.5375","0.0004","90","","90","","90","","1439.43","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0326","0.0255","","","0.0614","0.0668","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504324","7.1142","0.0003","10.3129","0.0006","12.2349","0.0008","77.686","0.003","79.631","0.004","70.525","0.004","821.03","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","para-Trifluoromethylformanilide","","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.1004","0.0577","","","0.1384","0.1617","","","","","","1.01","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1508507","5.382","0.003","6.929","0.004","29.95","0.02","85.615","0.013","89.872","0.014","73.155","0.012","1065.6","1.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","PDP-acid","","","- C23 H38 O3 -","- C23 H38 O3 -","- C46 H76 O6 -","2","1","","Pramod, P. S.; Takamura, Kathryn; Chaphekar, Sonali; Balasubramanian, Nagaraj; Jayakannan, M.","Dextran vesicular carriers for dual encapsulation of hydrophilic and hydrophobic molecules and delivery into cells.","Biomacromolecules","2012","13","11","3627","3640","10.1021/bm301583s","","","0.71073","MoKα","","0.2754","0.1023","","","0.2268","0.3119","","","","","","0.931","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508508","4.819","0.001","9.239","0.002","10.384","0.002","90","","90","","97.16","0.05","458.72","0.17","293","2","293","2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C8 H10 D3 N O5 -","- C8 H10 D3 N O5 -","- C16 H20 D6 N2 O10 -","2","1","","Sawada, Daisuke; Nishiyama, Yoshiharu; Langan, Paul; Forsyth, V. Trevor; Kimura, Satoshi; Wada, Masahisa","Direct determination of the hydrogen bonding arrangement in anhydrous β-chitin by neutron fiber diffraction.","Biomacromolecules","2012","13","1","288","291","10.1021/bm201512t","","neutron","1.4558","neutron","","0.4685","0.2566","","","0.5303","0.6239","","","","","","2.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509020","4.203","","4.203","","4.465","","90","","90","","120","","68.308","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Europium silver silicon (1/0.6771.33)","","- Ag0.67 Eu Si1.33 -","- Ag0.66 Eu Si1.34 -","- Ag0.66 Eu Si1.34 -","1","0.0416667","","Felner, I.; Schieber, M.","Ferromagnetic rare-earth and diamagnetic iron sublattices in ternary R Fe.67 Ge1.33","Solid State Communications","1973","13","","457","461","10.1016/0038-1098(73)90475-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509038","4.062","","4.062","","4.062","","90","","90","","90","","67.022","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver aluminum (0.8/0.2)","","- Ag0.8 Al0.2 -","- Ag0.8 Al0.2 -","- Ag3.2 Al0.8 -","4","0.0208333","","Barat, S.; Mukherjee, J. K.","Silver-rich alloys of the system silver-aluminium- germanium and silver-aluminium-tin","Indian Journal of Technology","1975","13","11","510","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","175320","2020-10-21","18:00:00",""
"1509085","8.17","","8.17","","8.17","","90","","90","","90","","545.339","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Silver aluminum praseodymium (0.3/1.7/1)","","- Ag0.3 Al1.7 Pr -","- Ag0.3 Al1.7 Pr -","- Ag2.4 Al13.6 Pr8 -","8","0.0416667","","Oesterreicher, H.; Wallace, W.E.","Studies of pseudo-binary Laves phase systems containing lanthanides II: Constitution and magnetic properties of Pr Al2-base systems containing Mn, Fe, Co, Ni, Cu and Ag","Journal of the Less-Common Metals","1967","13","","475","482","10.1016/0022-5088(67)90081-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509372","5.01599","","5.01599","","5.01599","","90","","90","","90","","126.203","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Ag0.513 Hg0.257) (Ag0.487 Hg0.243) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.4992 I2 -","- Ag1.0008 Hg0.4992 I2 -","1","0.0104167","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509373","4.4833","","4.4833","","7.3252","","90","","90","","120","","127.51","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ag0.313 Hg0.157) (Ag0.687 Hg0.343) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.5002 I2 -","- Ag1.0008 Hg0.5002 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509483","4.244","","4.244","","4.138","","90","","90","","120","","64.546","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ag Nd Si -","- Ag Nd Si -","- Ag Nd Si -","1","0.0416667","","Schieber, M.; Felner, I.","Ferromagnetic rare-earth and diamagnetic iron sublattices in R Fe.67 Ge1.33 type compounds","Solid State Communications","1973","13","","457","461","10.1016/0038-1098(73)90475-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509687","15.48","","3.582","","9.537","","90","","128.741","","90","","412.471","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ag2 (V4 O11)","","- Ag2 O11 V4 -","- Ag2 O11 V4 -","- Ag4 O22 V8 -","2","0.25","","Onoda, M.; Kanbe, K.","Crystal structure and electronic properties of the Ag2 V4 O11 insertion electrode","Journal of Physics: Condensed Matter","2001","13","","6675","6685","10.1088/0953-8984/13/31/308","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509817","6.35","","6.35","","6.35","","90","","90","","90","","256.048","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ag2 (Hg I4)","","- Ag2 Hg I4 -","- Ag2 Hg I4 -","- Ag2 Hg I4 -","1","0.0104167","","Kasper, J.S.; Browall, K.W.","Single crystal structure study of alpha-Ag2 Hg I4. Evidence for anharmonic vibration","Journal of Solid State Chemistry","1975","13","","49","56","10.1016/0022-4596(75)90080-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509832","4.102","","4.102","","4.102","","90","","90","","90","","69.022","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ag16 Al Sn)0.22","","- Ag3.56 Al0.22 Sn0.22 -","- Ag3.56 Al0.22 Sn0.22 -","- Ag3.56 Al0.22 Sn0.22 -","1","0.00520833","","Barat, S.; Mukherjee, J.K.","Silver-rich alloys of the systems silver-aluminium-germanium and silver-aluminium-tin","Indian Journal of Technology","1975","13","","510","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509836","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag9 Sn)0.4","","- Ag3.6 Sn0.4 -","- Ag3.6 Sn0.4 -","- Ag3.6 Sn0.4 -","1","0.00520833","","Mukherjee, J.K.; Barat, S.","Silver-rich alloys of the system silver-aluminium- germanium and silver-aluminium-tin","Indian Journal of Technology","1975","13","","510","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509837","4.083","","4.083","","4.083","","90","","90","","90","","68.067","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ag20 Al Ge)0.18","","- Ag3.64 Al0.18 Ge0.18 -","- Ag3.64 Al0.18 Ge0.18 -","- Ag3.64 Al0.18 Ge0.18 -","1","0.00520833","","Mukherjee, J.K.; Barat, S.","Silver-rich alloys of the systems silver-aluminium-germanium and silver-aluminium-tin","Indian Journal of Technology","1975","13","","510","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509940","10.322","","10.322","","10.322","","90","","90","","90","","1099.74","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Haeusler, K.G.; von Schnering, H.G.","Ag6 Ge10 P12, eine Verbindung mit Ag6-Cluster","Revue de Chimie Minerale","1976","13","","71","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510007","4.86728","","4.86728","","4.86728","","90","","90","","90","","115.308","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","Ag3 S I","","- Ag3 I S -","- Ag3 I S -","- Ag3 I S -","1","0.333333","","Hayes, W.; Keen, D.A.; Hull, S.; Gardner, N.J.G.","The crystal structures of superionic Ag3 S I","Journal of Physics: Condensed Matter","2001","13","","2295","2316","10.1088/0953-8984/13/10/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510163","4.401","","4.401","","7.2326","","90","","90","","120","","121.319","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ho Au Ge","","- Au Ge Ho -","- Au Ge Ho -","- Au2 Ge2 Ho2 -","2","0.166667","","Poettgen, R.; Ouladdiaf, B.; Schnelle, W.; Kremer, R.K.; Gibson, B.J.","Crystal and magnetic structure of antiferromagnetic Ho Au Ge","Journal of Physics: Condensed Matter","2001","13","","2593","2606","10.1088/0953-8984/13/11/315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510170","4.3526","","4.3526","","15.474","","90","","90","","120","","253.881","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U Au Ge","","- Au Ge U -","- Au Ge U -","- Au4 Ge4 U4 -","4","0.166667","","Gibson, B.J.; Jepsen, O.; Poettgen, R.; Kremer, R.K.; Hoffmann, R.D.; Garrett, J.D.","Structure and chemical bonding of U Au Ge","Journal of Physics: Condensed Matter","2001","13","","3123","3137","10.1088/0953-8984/13/13/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510868","5.855","","10.3354","","8.2808","","90","","89.512","","90","","501.084","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Tb1.069 B28","","- B28 Tb1.069 -","- B28 Tb1.0692 -","- B56 Tb2.1384 -","2","0.25","","Zhang, F.; Tanaka, T.; Mori, T.","Synthesis and magnetic properties of binary boride RE B25 compounds","Journal of Physics: Condensed Matter","2001","13","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510953","7.467","","7.467","","4.71","","90","","90","","120","","227.428","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Ru7 B3","","- B3 Ru7 -","- B3 Ru7 -","- B6 Ru14 -","2","0.166667","","Aronsson, B.","The crystal structure of Ru7 B3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","109","114","10.3891/acta.chem.scand.13-0109","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511073","8.615","","8.615","","4.25","","90","","90","","90","","315.427","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Co4.75 Si2 B","","- B Co4.75 Si2 -","- B Co4.75 Si2 -","- B4 Co19 Si8 -","4","0.125","","Lundgren, G.; Aronsson, B.","X-ray investgigations on Me-Si-B systems (M= Mn. Fe, Co). I. Some features of the Co-Si-B system at 1000 C","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","433","441","10.3891/acta.chem.scand.13-0433","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511255","3.268","","13.45","","3.115","","90","","90","","90","","136.919","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb Ni B","","- B Nb Ni -","- B Nb Ni -","- B4 Nb4 Ni4 -","4","0.25","","Kuz'ma, Yu.B.","Crystalline structures of the compounds Nb Ni B and Ta Ni B","Kristallografiya","1968","13","","701","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511270","6.105","","6.105","","2.895","","90","","90","","120","","93.444","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ni6 Si2 B","","- B Ni6 Si2 -","- B Ni6 Si2 -","- B Ni6 Si2 -","1","0.0833333","","Jellinek, F.; Rundqvist, S.","The structures of Ni6 Si2 B, Fe2 P and related phases","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","425","432","10.3891/acta.chem.scand.13-0425","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511289","6.851","","6.851","","6.821","","90","","90","","120","","277.26","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Pb (B P O5)","","- B O5 P Pb -","- B O5 P Pb -","- B3 O15 P3 Pb3 -","3","0.5","","Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B.","Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds","Journal of Physics: Condensed Matter","2001","13","","9663","9671","10.1088/0953-8984/13/42/323","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511740","6.23","","4.9","","8.42","","90","","118","","90","","226.951","","","","","","","","","","","","","4","P -1","-P 1","2","","Li6 Ga2 (B O3)4","","- B4 Ga2 Li6 O12 -","- B4 Ga2 Li6 O12 -","- B4 Ga2 Li6 O12 -","1","0.5","","Mamedov, Kh.S.; Abdullaev, G.K.","Crystal structure of lithium gallium borate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511762","9.298","0.002","16.376","0.003","11.006","0.001","90","","93.86","0.03","90","","1672","0.5","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 Cu N14 O6 -","- C24 H38 Cl2 Cu N14 O6 -","- C48 H76 Cl4 Cu2 N28 O12 -","2","0.5","","Antonio Panfil; Ángel Terrón; Juan J. Fiol; Miguel Quirós","Synthesis and Characterization of a Novel Copper(II)-Cytosine Complex: Tetrakis(cytosine)copper(II) Chloride Bis(dimethylacetamide) Solvate","Polyhedron","1994","13","","2513","2518","10.1016/S0277-5387(00)83092-2","","","0.71073","MoKα","","","0.065","","","","0.062","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513300","10.604","0.000004","10.604","0.000004","10.604","0.000004","90","","90","","90","","1192.36","0.0008","295","","295","","","","","","","","","2","I a -3","-I 2b 2c 3","206","yttria oxide","yttria oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","1.37791","synchrotron","","","","","","","","","","0.83","","","","","","","has coordinates","190338","2020-10-21","18:00:00",""
"1513301","8.3814","0.0005","8.3814","","8.3814","","90","","90","","90","","588.78","0.04","14","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513302","5.68278","0.00002","5.682775","","8.02337","0.00005","90","","90","","90","","259.106","0.0019","14","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba4 Fe2 O12 Re2 -","4","0.125","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513303","8.063327","0.000013","8.063327","","8.063327","","90","","90","","90","","524.255","0.0008","400","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba8 Fe4 O24 Re4 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513304","8.3985","0.0005","8.3985","","8.3985","","90","","90","","90","","592.39","0.04","400","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513745","15.522","0.014","11.509","0.01","15.025","0.013","90","","113.5","0.014","90","","2461","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","1","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","0.71073","MoKα","","0.1134","0.0686","","","0.147","0.1644","","","","","","0.999","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513746","11.2226","0.0006","14.6368","0.0007","14.7457","0.0007","82.159","0.002","68.326","0.002","88.858","0.003","2228.66","0.19","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37 F6 N3 O2 S2 -","- C98 H74 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.0918","0.0873","","","0.2335","0.2442","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513747","11.203","0.0008","14.6411","0.0009","14.7813","0.0009","82.469","0.004","68.116","0.004","89.224","0.004","2228.7","0.3","98","2","98","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37.5 F6 N3 O2 S2 -","- C98 H75 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.1601","0.1413","","","0.3994","0.4275","","","","","","1.704","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513748","13.9039","0.0012","8.8277","0.0008","16.789","0.0016","90","","93.294","0.006","90","","2057.3","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Cheng, Su-Fang; Chen, Bin; Yang, Xiu-Jie; Luo, Lin; Zhang, Li-Ping; Wu, Li-Zhu; Tung, Chen-Ho","Synthesis of diastereometrically pure cubane-like photodimers from 2,4-pentanediyl-bis-2-naphthoates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","261","265","10.1039/c3pp50326g","","","0.71073","MoKα","","0.0482","0.0381","","","0.0955","0.1001","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513749","8.4099","0.0002","5.3783","0.0002","23.8999","0.0007","90","","100.092","0.002","90","","1064.29","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","2004uv02cj02b","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.54178","CuKα","","0.0488","0.0479","","","0.1207","0.1222","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513750","7.821","0.0005","5.916","0.0003","22.9298","0.0012","90","","94.223","0.004","90","","1058.06","0.1","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0574","0.0502","","","0.1324","0.1391","","","","","","1.11","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513751","5.6471","0.0002","8.0554","0.0004","45.153","0.002","90","","90","","90","","2053.99","0.15","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0366","0.0339","","","0.0841","0.0862","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513752","4.9526","0.0003","10.2028","0.0006","10.7011","0.0007","92.352","0.004","94.615","0.004","96.777","0.004","534.51","0.06","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C24 H27 N O6 -","1","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0588","0.0523","","","0.1505","0.1619","","","","","","1.123","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513753","5.4293","0.0004","8.998","0.0006","39.35","0.003","90","","90","","90","","1922.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","0.71073","MoKα","","0.0617","0.0451","","","0.1046","0.1179","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513754","7.5041","0.0004","5.1979","0.0003","24.164","0.0013","90","","92.664","0.003","90","","941.51","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N3 O4 -","- C21 H22 N3 O4 -","- C42 H44 N6 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.051","0.0497","","","0.1262","0.1271","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513755","9.0125","0.0003","11.4927","0.0004","16.4078","0.0006","90","","103.974","0.003","90","","1649.19","0.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0637","0.0593","","","0.189","0.196","","","","","","0.99","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513756","11.023","0.0002","15.0169","0.0003","17.9072","0.0003","90","","101.637","0.002","90","","2903.27","0.09","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N2 O -","- C39 H30 N2 O -","- C156 H120 N8 O4 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0625","0.0506","","","0.1374","0.1562","","","","","","0.96","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513757","15.5952","0.0005","13.4176","0.0005","8.2215","0.0002","90","","90","","90","","1720.35","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0467","0.0407","","","0.0995","0.1053","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513758","10.6616","0.0002","20.7812","0.0003","13.207","0.0003","90","","110.46","0.002","90","","2741.56","0.1","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0572","0.0461","","","0.1252","0.1369","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513759","16.0572","0.0004","13.6979","0.0003","17.9652","0.0004","90","","90","","90","","3951.44","0.16","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C216 H144 N16 -","8","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0658","0.0497","","","0.131","0.1466","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513760","11.7562","0.0004","16.1045","0.0004","17.9894","0.0004","91.242","0.002","100.219","0.002","104.494","0.003","3237.37","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C41.5 H27 Cl N2 -","- C41.5 H27 Cl N2 -","- C166 H108 Cl4 N8 -","4","2","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","0.71073","MoKα","","0.1474","0.1122","","","0.3451","0.3657","","","","","","2.337","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513761","5.0173","0.0005","14.9931","0.0014","18.012","0.002","90","","93.897","0.007","90","","1351.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jindal, Pooja; Bhatia, Rimpy; Khullar, Sadhika; Mandal, Sanjay K.; Kamboj, Ramesh C.","One-shot photochemical synthesis of 5-(thiophen-3-yl)pyrano[2,3-c]chromen-2(3H)-ones from 3-propynyloxy-chromenones: a case of an intramolecular Paterno-Buchi reaction.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","3","488","491","10.1039/c3pp50396h","","","0.71073","MoKα","","0.1001","0.0526","","","0.139","0.1733","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1514167","6.0157","0.0007","21.542","0.004","18.412","0.003","90","","92.247","0.013","90","","2384.2","0.7","101.8","","101.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N9 O10 Sm -","- C21 H20 N9 O10 Sm -","- C84 H80 N36 O40 Sm4 -","4","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","4","660","670","10.1039/c3pp50346a","","","0.7107","MoKα","","0.0744","0.0487","","","0.0834","0.0932","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514168","5.9758","0.0002","21.4942","0.0013","18.3468","0.0012","90","","91.887","0.004","90","","2355.3","0.2","98.6","","98.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N9 O10 Tb -","- C21 H20 N9 O10 Tb -","- C84 H80 N36 O40 Tb4 -","4","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","4","660","670","10.1039/c3pp50346a","","","0.7107","MoKα","","0.0646","0.0454","","","0.0862","0.0953","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514362","12.9786","0.0019","6.6198","0.0009","36.186","0.005","90","","94.888","0.003","90","","3097.6","0.8","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(5-Methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)- 4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)- perfluorocyclopentene","","- C35 H24 F6 N2 O2 S2 -","- C35 H24 F6 N2 O2 S2 -","- C140 H96 F24 N8 O8 S8 -","4","1","","Kitagawa, Daichi; Kobatake, Seiya","Crystal thickness dependence of the photoinduced crystal bending of 1-(5-methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)-4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","5","764","769","10.1039/c3pp50417d","","","0.71075","MoKα","","0.0793","0.0559","","","0.1566","0.1695","","","","","","1.029","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1516334","8.187","0.0008","9.207","0.0009","27.256","0.003","90.044","0.008","89.948","0.01","106.384","0.008","1971.1","0.4","122","","122","","","","","","","","","4","P 1","P 1","1","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","","- C24 H21 Br2 N -","- C24 H21 Br2 N -","- C96 H84 Br8 N4 -","4","4","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.1037","0.058","","","0.1592","0.209","","","","","","1.141","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516335","8.817","0.002","20.29","0.002","23.921","0.003","108.891","0.011","90.992","0.01","91.387","0.011","4046.3","1.2","122","","122","","","","","","","","","4","P -1","-P 1","2","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine","","- C25 H23 Cl2 N -","- C25 H23 Cl2 N -","- C200 H184 Cl16 N8 -","8","4","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.1414","0.102","","","0.3212","0.3332","","","","","","2.176","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516336","8.09","0.004","9.054","0.009","27.394","0.011","90","0.07","90","0.06","90","0.05","2007","2","293","2","122","","","","","","","","","4","P -1","-P 1","2","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine","","- C24 H21 Cl2 N -","- C24 H22 Cl2 N -","- C96 H88 Cl8 N4 -","4","2","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0513","0.046","","","0.1458","0.1575","","","","","","1.53","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516337","9.285","0.0005","10.42","0.0004","10.928","0.0006","67.167","0.005","81.424","0.005","78.925","0.005","953.03","0.09","122","","122","","","","","","","","","4","P -1","-P 1","2","N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine","N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine","","- C24 H22 Br N -","- C24 H22 Br N -","- C48 H44 Br2 N2 -","2","1","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0291","0.0286","","","0.0941","0.0958","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516338","9.298","0.0005","10.261","0.0007","10.943","0.0007","66.706","0.005","81.271","0.005","78.544","0.006","936.72","0.11","122","","122","","","","","","","","","4","P -1","-P 1","2","N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine","N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine","","- C24 H22 Cl N -","- C24 H22 Cl N -","- C48 H44 Cl2 N2 -","2","1","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0693","0.0458","","","0.1512","0.1664","","","","","","1.185","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516721","16.482","0.003","4.96","0.001","18.568","0.004","90","","91.72","0.03","90","","1517.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","VBT-4Pyr","VBT-4Pyr","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.71082","synchrotron","","0.0679","0.0509","","","0.1252","0.1355","","","","","","1.068","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516722","4.87","0.001","10.62","0.002","15.26","0.003","100.47","0.03","94.59","0.03","93.98","0.03","770.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","VBT3Pyr","VBT3Pyr","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.107","0.0746","","","0.1907","0.2111","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516723","13.101","0.003","14.414","0.003","8.998","0.0018","90","","103.68","0.03","90","","1651","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","VBMT4Pyr","VBMT4Pyr","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.0533","0.0482","","","0.1263","0.1304","","","","","","1.042","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1516724","30.165","0.006","4.4","0.0009","24.6","0.005","90","","93.83","0.03","90","","3257.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","VBMT3Pyr","VBMT3Pyr","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C160 H152 N24 O16 -","8","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.0617","0.0485","","","0.1232","0.1322","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516725","8.188","0.0016","12.063","0.002","17.14","0.003","90","","103.02","0.03","90","","1649.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","VMT4PyrDimer","VMT4PyrDimer","","- C40 H38 N6 O4 -","- C40 H38 N6 O4 -","- C80 H76 N12 O8 -","2","0.5","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.1733","0.1105","","","0.2746","0.3284","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517196","20.3809","0.0014","5.594","0.0004","15.3584","0.0011","90","","105.915","0.004","90","","1683.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","N, Ahipa T; Adhikari, Airody Vasudeva","New cyanopyridone based luminescent liquid crystalline materials: synthesis and characterization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1496","1508","10.1039/c4pp00031e","","","0.71073","MoKα","","0.1022","0.0526","","","0.1373","0.1587","","","","","","0.922","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517213","8.6445","0.0005","12.0822","0.0006","13.2869","0.0007","103.255","0.001","107.303","0.001","97.032","0.001","1262.22","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cl I N -","- C13 H11 Cl I N -","- C52 H44 Cl4 I4 N4 -","4","2","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0325","0.0272","","","0.0654","0.0681","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517214","26.8921","0.0014","7.9472","0.0004","18.289","0.0009","90","","125.769","0.001","90","","3171.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H17 Cl1.5 N O2 -","- C15.5 H17 Cl1.5 N O2 -","- C124 H136 Cl12 N8 O16 -","8","1","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0699","0.0621","","","0.1911","0.2023","","","","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517215","4.7973","0.0005","8.5668","0.0008","17.3529","0.0018","90","","90.321","0.002","90","","713.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Cl2 N O -","- C14 H15 Cl2 N O -","- C28 H30 Cl4 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0492","0.0379","","","0.0988","0.1076","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517216","4.82","0.0005","8.7182","0.0009","17.3278","0.0017","90","","90.278","0.002","90","","728.14","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Br Cl N O -","- C14 H15 Br Cl N O -","- C28 H30 Br2 Cl2 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.056","0.037","","","0.0841","0.0928","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517860","7.366","0.004","8.121","0.004","36.109","0.017","90","","90","","90","","2160","1.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl2 N2 O S2 -","- C23 H16 Cl2 N2 O S2 -","- C92 H64 Cl8 N8 O4 S8 -","4","1","","Liu, Wenju; Li, Ziyong; Hu, Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Chemical control of photochromism and a multiresponsive molecular switch based on a diarylethene derivative containing naphthol.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","12","1773","1780","10.1039/c4pp00093e","","","0.71073","MoKα","","0.0999","0.0721","","","0.1689","0.1774","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1521128","3.815","","3.815","","13.305","","90","","90","","90","","193.644","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.85 Sr0.15) (Cu0.87 Zn0.13) O3.91","","- Cu0.87 La1.85 O3.91 Sr0.15 Zn0.13 -","- Cu0.87 La1.85 O3.91 Sr0.15 Zn0.13 -","- Cu1.74 La3.7 O7.82 Sr0.3 Zn0.26 -","2","0.0625","","Ganguly, R.; Rajagopal, H.; Sequeira, A.; Yakhmi, J.V.","Structural features of La1.85 Sr0.15 Cu O4 as influenced by substitution of Zn: neutron diffraction studies","Journal of Superconductivity","2000","13","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","140775","2020-10-21","18:00:00",""
"1521130","3.8213","","3.8213","","13.242","","90","","90","","90","","193.364","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.85 Sr0.15) (Cu0.84 Zn0.16) O3.94","","- Cu0.84 La1.85 O3.94 Sr0.15 Zn0.16 -","- Cu0.84 La1.85 O3.94 Sr0.15 Zn0.16 -","- Cu1.68 La3.7 O7.88 Sr0.3 Zn0.32 -","2","0.0625","","Ganguly, R.; Rajagopal, H.; Sequeira, A.; Yakhmi, J.V.","Structural features of La1.85 Sr0.15 Cu O4 as influenced by substitution of Zn: neutron diffraction studies","Journal of Superconductivity","2000","13","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","140777","2020-10-21","18:00:00",""
"1521132","5.389","","5.417","","13.238","","90","","90","","90","","386.447","","","","","","","","","","","","","5","B m a b","-B 2ab 2","64","","(La1.84 Sr0.15) (Cu0.84 Zn0.16) O3.96","","- Cu0.84 La1.84 O3.96 Sr0.15 Zn0.16 -","- Cu0.84 La1.84 O3.96 Sr0.15 Zn0.16 -","- Cu3.36 La7.36 O15.84 Sr0.6 Zn0.64 -","4","","","Ganguly, R.; Rajagopal, H.; Sequeira, A.; Yakhmi, J.V.","Structural features of La1.85 Sr0.15 Cu O4 as influenced by substitution of Zn: neutron diffraction studies","Journal of Superconductivity","2000","13","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521133","5.425","","5.455","","13.123","","90","","90","","90","","388.354","","","","","","","","","","","","","5","B m a b","-B 2ab 2","64","","(La1.82 Sr0.15) (Cu0.59 Zn0.41) O3.96","","- Cu0.59 La1.82 O3.96 Sr0.15 Zn0.41 -","- Cu0.59 La1.82 O3.96 Sr0.15 Zn0.41 -","- Cu2.36 La7.28 O15.84 Sr0.6 Zn1.64 -","4","","","Ganguly, R.; Rajagopal, H.; Sequeira, A.; Yakhmi, J.V.","Structural features of La1.85 Sr0.15 Cu O4 as influenced by substitution of Zn: neutron diffraction studies","Journal of Superconductivity","2000","13","","163","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521365","3.7802","","3.7802","","13.212","","90","","90","","90","","188.798","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.58 Pb0.27 Sr0.15) Cu O4","","- Cu La1.58 O4 Pb0.27 Sr0.15 -","- Cu La1.58 O4 Pb0.27 Sr0.15 -","- Cu2 La3.16 O8 Pb0.54 Sr0.3 -","2","0.0625","","Kandyel, E.; Adachi, S.; Tajima, S.","Synthesis, structure and superconductivity of (La1.5 Pb0.5-x Srx) Cu Oz","Journal of Superconductivity","2000","13","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522071","4.44","","4.44","","4.44","","90","","90","","90","","87.528","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ta O0.9","","- O0.9 Ta -","- O0.9 Ta -","- O3.6 Ta4 -","4","0.0208333","","Klechkovskaya, V.V.; Khitrova, V.I.","An electron-diffraction study of the gamma phase in the Ta-O system","Kristallografiya","1968","13","","523","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522400","3.6646","","3.6646","","11.8181","","90","","90","","120","","137.446","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Nd Pr)","","- Nd Pr -","- Nd Pr -","- Nd2 Pr2 -","2","0.0833333","","Lundin, C.E.; Nachman, J.F.; Yamamoto, A.S.","Fe2 P-type phases in the ternary alloys of the rare earths with thallium and palladium","Acta Metallurgica","1965","13","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522514","5.018","","12.23","","4.648","","90","","90","","90","","285.248","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Pb Sr -","- Pb Sr -","- Pb4 Sr4 -","4","0.25","","Merlo, F.; Fornasini, M.L.","Cr B-type equiatomic compounds of europium, ytterbium and alkaline-earth metals with Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1967","13","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522571","3.07","","3.07","","3.07","","90","","90","","90","","28.934","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mn Zn -","- Mn Zn -","- Mn Zn -","1","0.0208333","","Nakagawa, Yasuaki; Hori, Tomiei","Phase Diagram of Manganese-Zinc System","Transactions of the Japan Institute of Metals","1972","13","3","167","170","10.2320/matertrans1960.13.167","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522808","2.581","","2.581","","4.22","","90","","90","","120","","24.346","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Nb0.19 Ni0.81)","","- Nb0.19 Ni0.81 -","- Nb0.19 Ni0.81 -","- Nb0.38 Ni1.62 -","2","0.0833333","","Ruhl, R.C.; Giessen, B.C.; Cohen, M.; Grant, N.J.","Metastable hexagonal close-packed phases in Ni-rich Ni-Nb and Ni-Ta alloys","Journal of the Less-Common Metals","1967","13","","611","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","143091","2020-10-21","18:00:00",""
"1522809","3.615","","3.615","","3.615","","90","","90","","90","","47.242","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Nb0.151 Ni0.849)","","- Nb0.151 Ni0.849 -","- Nb0.151 Ni0.849 -","- Nb0.604 Ni3.396 -","4","0.0208333","","Ruhl, R.C.; Grant, N.J.; Cohen, M.; Giessen, B.C.","Metastable hexagonal close-packed phases in Ni-rich Ni-Nb and Ni-Ta alloys","Journal of the Less-Common Metals","1967","13","","611","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","143092","2020-10-21","18:00:00",""
"1522810","2.585","","2.585","","4.229","","90","","90","","120","","24.473","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ni0.77 Ta0.23)","","- Ni0.77 Ta0.23 -","- Ni0.77 Ta0.23 -","- Ni1.54 Ta0.46 -","2","0.0833333","","Ruhl, R.C.; Giessen, B.C.; Cohen, M.; Grant, N.J.","Metastable hexagonal close-packed phases in Ni-rich Ni-Nb and Ni-Ta alloys","Journal of the Less-Common Metals","1967","13","","611","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","143093","2020-10-21","18:00:00",""
"1522921","3.81","","3.81","","3.81","","90","","90","","90","","55.306","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Y -","- Mg Y -","- Mg Y -","1","0.0208333","","Smith, J.F.; Bailey, D.M.; Novotny, D.B.; Davison, J.E.","Thermodynamics of formation of yttrium-magnesium intermediate phase","Acta Metallurgica","1965","13","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522922","6.037","","6.037","","9.752","","90","","90","","120","","307.799","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Y -","- Mg2 Y -","- Mg8 Y4 -","4","0.166667","","Smith, J.F.; Bailey, D.M.; Novotny, D.B.; Davison, J.E.","Thermodynamics of formation of yttrium-magnesium intermediate phase","Acta Metallurgica","1965","13","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1522923","11.278","","11.278","","11.278","","90","","90","","90","","1434.49","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Mg24.25 Y4.75 -","- Mg24.25 Y4.75 -","- Mg48.5 Y9.5 -","2","0.0416667","","Smith, J.F.; Bailey, D.M.; Novotny, D.B.; Davison, J.E.","Thermodynamics of formation of yttrium-magnesium intermediate phase","Acta Metallurgica","1965","13","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522951","2.713","","2.713","","3.656","","90","","90","","90","","26.91","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","(Fe0.5 Ni0.5) Pt","","- Fe0.5 Ni0.5 Pt -","- Fe0.5 Ni0.5 Pt -","- Fe0.5 Ni0.5 Pt -","1","0.0625","","Stevens, G.T.; Bowles, J.S.; Hatherly, M.","The ordered phase fields of the iron-nickel-platinum equilibrium diagram","Journal of Materials Science","1978","13","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522952","3.839","","3.839","","3.839","","90","","90","","90","","56.579","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Fe0.5 Ni0.5) Pt3","","- Fe0.5 Ni0.5 Pt3 -","- Fe0.5 Ni0.5 Pt3 -","- Fe0.5 Ni0.5 Pt3 -","1","0.0208333","","Stevens, G.T.; Hatherly, M.; Bowles, J.S.","The ordered phase fields of the iron-nickel-platinum equilibrium diagram","Journal of Materials Science","1978","13","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","143256","2020-10-21","18:00:00",""
"1522953","3.693","","3.693","","3.693","","90","","90","","90","","50.366","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Fe0.5 Ni0.5)3 Pt","","- Fe1.5 Ni1.5 Pt -","- Fe1.5 Ni1.5 Pt -","- Fe1.5 Ni1.5 Pt -","1","0.0208333","","Stevens, G.T.; Hatherly, M.; Bowles, J.S.","The ordered phase fields of the iron-nickel-platinum equilibrium diagram","Journal of Materials Science","1978","13","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522954","3.627","","3.627","","3.627","","90","","90","","90","","47.714","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.4 Ni0.5 Pt0.1)","","- Fe0.4 Ni0.5 Pt0.1 -","- Fe0.4 Ni0.5 Pt0.1 -","- Fe1.6 Ni2 Pt0.4 -","4","0.0208333","","Stevens, G.T.; Hatherly, M.; Bowles, J.S.","The ordered phase fields of the iron-nickel-platinum equilibrium diagram","Journal of Materials Science","1978","13","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","143258","2020-10-21","18:00:00",""
"1523323","4.665","","4.11","","2.884","","90","","98.1","","90","","54.744","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Buehrer, W.; Gotthardt, R.; Kulik, A.; Mercier, O.; Staub, F.","Powder neutron diffraction study of nickel-titanium martensite","Journal of Physics F","1983","13","","77","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523683","4.786","","4.786","","4.786","","90","","90","","90","","109.627","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir V3 -","- Ir V3 -","- Ir2 V6 -","2","0.0416667","","Giessen, B.C.; Dangel, P.N.; Grant, N.J.","New phases in the vanadium-iridium system and a tentative constitution diagram","Journal of the Less-Common Metals","1967","13","","62","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523684","3.01","","3.01","","3.01","","90","","90","","90","","27.271","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ir0.18 V0.82)","","- Ir0.18 V0.82 -","- Ir0.18 V0.82 -","- Ir0.36 V1.64 -","2","0.0208333","","Giessen, B.C.; Dangel, P.N.; Grant, N.J.","New phases in the vanadium-iridium system and a tentative constitution diagram","Journal of the Less-Common Metals","1967","13","","62","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","144305","2020-10-21","18:00:00",""
"1523685","3.824","","3.824","","3.824","","90","","90","","90","","55.918","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir0.87 V0.13)","","- Ir0.87 V0.13 -","- Ir0.87 V0.13 -","- Ir3.48 V0.52 -","4","0.0208333","","Giessen, B.C.; Dangel, P.N.; Grant, N.J.","New phases in the vanadium-iridium system and a tentative constitution diagram","Journal of the Less-Common Metals","1967","13","","62","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","144306","2020-10-21","18:00:00",""
"1523763","3.164","","3.164","","3.164","","90","","90","","90","","31.674","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Hf0.5 Ti0.5) Ru","","- Hf0.5 Ru Ti0.5 -","- Hf0.5 Ru Ti0.5 -","- Hf0.5 Ru Ti0.5 -","1","0.0208333","","Gulamova, D.D.; Raevskaya, M.V.; Sokolova, I.G.; Litvak, F.S.; Sokolovskaya, E.M.","The interaction of the intermetallic compounds RuTi and Ru Hf","Vestnik Moskovskogo Universiteta, Khimiya","1972","13","","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523886","3.329","","3.329","","3.329","","90","","90","","90","","36.893","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Ru -","- Lu Ru -","- Lu Ru -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Das Verhalten des Ytterbiums mit den Metallen der achten Gruppe des periodischen Systems","Revue de Chimie Minerale","1976","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523887","3.346","","3.346","","3.346","","90","","90","","90","","37.461","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir Yb -","- Ir Yb -","- Ir Yb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Das Verhalten des Ytterbiums mit den Metallen der achten Gruppe des periodischen Systems","Revue de Chimie Minerale","1976","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523888","7.47","","7.47","","7.47","","90","","90","","90","","416.833","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Yb -","- Ir2 Yb -","- Ir16 Yb8 -","8","0.0416667","","Iandelli, A.; Palenzona, A.","Das Verhalten des Ytterbiums mit den Metallen der achten Gruppe des periodischen Systems","Revue de Chimie Minerale","1976","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524056","9.751","","9.751","","9.332","","90","","90","","120","","768.429","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y6 W O12","","- O12 W Y6 -","- O12 W Y6 -","- O36 W3 Y18 -","3","0.166667","","Beaury, O.; Faucher, M.; Caro, P.","Crystal structure and fluorescence spectrum of 3(Y2 O3), W O3:Eu((3+))","Materials Research Bulletin","1978","13","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524070","10.251","","10.251","","10.251","","90","","90","","90","","1077.21","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ca1.3 Re2 O6 (O H)0.6","","- Ca1.3 H0.6 O6.6 Re2 -","- Ca1.3 O6.6 Re2 -","- Ca10.4 O52.8 Re16 -","8","0.0416667","","Besse, J.P.; Baud, C.; Chevalier, R.; Joubert, J.C.","Synthese sous haute pression et structure d'un nouveau pyrochlor contenant du rhenium: Ca(1+x) Re2 O6 (O H)2x (x=0.3)","Materials Research Bulletin","1978","13","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524267","5.456","","5.456","","10.22","","90","","90","","90","","304.228","","","","","","","","","","","","","3","I -4","I -4","82","","Mn0.75 Ga2.17 S4","","- Ga2.17 Mn0.75 S4 -","- Ga2.17 Mn0.75 S4 -","- Ga4.34 Mn1.5 S8 -","2","0.25","","Dogguy Smiri, L.; Pardo, M.P.; Dung, N.H.","Macle et structure cristalline de Mn0.75 Ga2.17 S4","Materials Research Bulletin","1978","13","","661","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","144987","2020-10-21","18:00:00",""
"1524300","5.431","","5.431","","17.73999","","124.14","","95.86","","120","","317.125","","","","","","","","","","","","","3","P 1","P 1","1","","Fe Si4 O9.5","","- Fe O6 Si4 -","- Fe O6 Si4 -","- Fe O6 Si4 -","1","1","","Eggleton, R.A.; Bailey, S.W.","The crystal structure of stilpnomelane. Part I. The subcell","Clays and Clay Minerals (-28,1980)","1966","13","","49","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524362","2.966","","4.521","","4.369","","90","","90","","90","","58.585","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Fe Ti D","","- D Fe Ti -","- D0.99 Fe Ti -","- D1.98 Fe2 Ti2 -","2","0.5","","Fischer, R.; Schlapbach, L.; Haelg, W.; Andresen, A.F.; Stucki, F.","Deuterium storage in Fe Ti. Measurement of desorption isotherms and structural studies by means of neutron diffraction","Materials Research Bulletin","1978","13","","931","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524363","2.976","","4.514","","4.378","","90","","90","","90","","58.813","","","","","","","","","","","","","4","P 2 2 21","P 2c 2","17","","Fe Ti H0.69 D0.19","","- D0.19 Fe H0.69 Ti -","- D0.19 Fe H0.69 Ti -","- D0.38 Fe2 H1.38 Ti2 -","2","0.5","","Fischer, R.; Haelg, W.; Schlapbach, L.; Andresen, A.F.; Stucki, F.","Deuterium storage in Fe Ti. Measurement of desorption isotherms and structural studies by means of neutron diffraction","Materials Research Bulletin","1978","13","","931","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524557","10.828","","6.251","","5.14","","90","","90","","90","","347.905","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li14 Zn (Ge O4)4","","- Ge4 Li13.668 O16 Zn1.172 -","- Ge4 Li13.668 O16 Zn1.172 -","- Ge4 Li13.668 O16 Zn1.172 -","1","0.125","","Hong, H.Y.-P.","Crystal structure and ionic conductivity of Li14 Zn (Ge O4)4 and other new Li superionic conductors","Materials Research Bulletin","1978","13","","117","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145346","2020-10-21","18:00:00",""
"1524592","7.12","","7.12","","7.12","","90","","90","","90","","360.944","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 Yb -","- Co2 Yb -","- Co16 Yb8 -","8","0.0416667","","Iandelli, A.; Palenzona, A.","Das Verhalten des Ytterbiums mit den Metallen der achten Gruppe des periodischen Systems","Revue de Chimie Minerale","1976","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524781","8.834","","8.834","","4.5865","","90","","90","","90","","357.928","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co1.9 V3.1 -","- Co1.9 V3.1 -","- Co11.4 V18.6 -","6","0.375","","de Freitas, J.M.; D'Alte da Veiga, L.M.; Gonschorek, W.","The ordering of the sigma phase V62 Co38","Portugaliae physica","1982","13","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524893","9.23","","9.23","","9.23","","90","","90","","90","","786.33","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(N H4)3 Ti (O2) F5","","- F5 H12 N3 O2 Ti -","- F4.998 H12.0008 N3 O1.9992 Ti -","- F19.992 H48.0032 N12 O7.9968 Ti4 -","4","0.0208333","","Massa, W.; Pausewang, G.","Zur Kristallstruktur von (N H4)3 Ti (O2) F5","Materials Research Bulletin","1978","13","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524911","7.87","","5.4","","10.03","","90","","90","","90","","426.255","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Eu2 Pb -","- Eu2 Pb -","- Eu8 Pb4 -","4","0.5","","McMasters, O.D.; Gschneidner, K.A.jr.","The europium-lead system","Journal of the Less-Common Metals","1967","13","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524944","7.468","","7.468","","7.468","","90","","90","","90","","416.498","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 (Gd0.49 Th0.51)","","- Fe2 Gd0.49 Th0.51 -","- Fe2 Gd0.49 Th0.51 -","- Fe16 Gd3.92 Th4.08 -","8","0.0416667","","Miskinis, E.T.; Narasimhan, K.S.V.L.; Craig, R.S.; Wallace, W.E.","Magnetic properties of Gd1-x Thx Fe2 and Gd1-x Cex Fe2","Journal of Solid State Chemistry","1975","13","","311","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524979","3.0276","","3.0276","","3.631","","90","","90","","90","","33.283","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Cd Pd -","- Cd Pd -","- Cd Pd -","1","0.0625","","Neumann, J.P.; Mikula, A.; Chang, Y.A.","Phase stability investigation of the Pd-Cd System. II. Structural studies.","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1982","13","","1123","1126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524994","5.0896","","5.0896","","5.0896","","90","","90","","90","","131.841","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ce0.2 Gd0.3 Th0.5)","","- Ce0.2 Gd0.3 Th0.5 -","- Ce0.2 Gd0.3 Th0.5 -","- Ce0.8 Gd1.2 Th2 -","4","0.0208333","","Norman, M.; Harris, I.R.; Raynor, G.V.","Lattice spacings and effective atomic diameters in the ternary systems formed by Th and Ce with Y, La, Gd and Er and by Th, Pr and Y","Journal of the Less-Common Metals","1967","13","","24","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","145880","2020-10-21","18:00:00",""
"1524995","5.2415","","5.2415","","5.2415","","90","","90","","90","","144.001","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce0.5 La0.5 -","- Ce0.5 La0.5 -","- Ce2 La2 -","4","0.0208333","","Norman, M.; Harris, I.R.; Raynor, G.V.","Lattice spacings and effective atomic diameters in the ternary systems formed by Th and Ce with Y, La, Gd and Er and by Th, Pr and Y","Journal of the Less-Common Metals","1967","13","","24","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524996","5.1686","","5.1686","","5.1686","","90","","90","","90","","138.076","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ce0.1 La0.4 Th0.5)","","- Ce0.1 La0.4 Th0.5 -","- Ce0.1 La0.4 Th0.5 -","- Ce0.4 La1.6 Th2 -","4","0.0208333","","Norman, M.; Raynor, G.V.; Harris, I.R.","Lattice spacings and effective atomic diameters in the ternary systems formed by Th and Ce wit Y, La and Er and by Th, Pr and Y","Journal of the Less-Common Metals","1967","13","","24","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","145882","2020-10-21","18:00:00",""
"1524997","3.6605","","3.6605","","5.7909","","90","","90","","120","","67.198","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ce0.2 Th0.1 Y0.7)","","- Ce0.2 Th0.1 Y0.7 -","- Ce0.2 Th0.1 Y0.7 -","- Ce0.4 Th0.2 Y1.4 -","2","0.0833333","","Norman, M.; Harris, I.R.; Raynor, G.V.","Lattice spacings and effective atomic diameters in the ternary systems formed by Th and Ce with Y, La, Gd and Er, and by Th, Pr and Y","Journal of the Less-Common Metals","1967","13","","24","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","145883","2020-10-21","18:00:00",""
"1525024","13.981","","2.95","","9.823","","90","","135","","90","","286.477","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Rb2 Cr8 O16","","- Cr8 O16 Rb2 -","- Cr8 O16 Rb2 -","- Cr8 O16 Rb2 -","1","0.125","","Okada, H.; Kinomura, N.; Kume, S.; Koizumi, M.","Synthese of hollandite type Rb2 Cr8 O16 , K2 Cr2 V6 O16 and K2 V8 O16","Materials Research Bulletin","1978","13","","1047","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","145912","2020-10-21","18:00:00",""
"1525032","4.753","","4.753","","4.753","","90","","90","","90","","107.375","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Cr0.15 V0.85)3 Ge","","- Cr0.45 Ge V2.55 -","- Cr0.45 Ge V2.55 -","- Cr0.9 Ge2 V5.1 -","2","0.0416667","","Oota, A.; Ogasawara, M.; Noguchi, S.","Superconductivity in A15 compounds (V1-x Mx) Ge with M= Ti, Cr, Mn, Zr and Mo","Journal of Physics F","1983","13","","1257","1262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525036","4.973","","4.973","","36.11","","90","","90","","120","","773.384","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co7 Er2 -","- Co7 Er2 -","- Co42 Er12 -","6","0.166667","","Ostertag, W.","The crystal structure of Er2 Co7 and other rare earth-cobalt compounds with R2 Co7 (R= Gd, Tb, Dy, Ho, Tm, Lu, Y)","Journal of the Less-Common Metals","1967","13","","385","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525042","8.527","","8.527","","8.527","","90","","90","","90","","619.996","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Eu3 S4 -","- Eu3 S4 -","- Eu12 S16 -","4","0.0833333","","Palazzi, M.; Jaulmes, S.","Affinement de la structure cristalline de Eu3 S4","Materials Research Bulletin","1978","13","","1153","1155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525051","3.781","","7.893","","3.293","","90","","90","","90","","98.274","","","","","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","Li0.5 Fe O Cl","","- Cl Fe Li0.5 O -","- Cl Fe Li0.5 O -","- Cl2 Fe2 Li O2 -","2","0.25","","Palvadeau, P.; Coic, L.; Rouxel, J.; Portier, J.","The lithium and molecular intercalates of Fe O Cl","Materials Research Bulletin","1978","13","","221","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525194","15.874","","13.952","","18.47","","90","","90","","90","","4090.63","","","","","","","","","","","","","4","P b c 21","P 2c -2b","29","","Na3 Nd (P O4)2","","- Na3 Nd O8 P2 -","- Na3 Nd O8 P2 -","- Na72 Nd24 O192 P48 -","24","6","","Salmon, R.; Parent, C.; Vlasse, M.; le Flem, G.","The crystal structure of a new high - Nd - concentration laser material: Na3 Nd (P O4)2","Materials Research Bulletin","1978","13","","439","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525212","17.974","","20.3199","","7.419","","90","","90","","90","","2709.64","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ca0.32 Ba3.32 (Al8.6 Si39.9 O96)","","- Al8.6 Ba3.32 Ca0.32 O96 Si39.9 -","- Al8.496 Ba3.32 Ca0.32 O96 Si39.504 -","- Al8.496 Ba3.32 Ca0.32 O96 Si39.504 -","1","0.125","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite-type framework. (VI). Dehydrated barium mordenite","Materials Research Bulletin","1978","13","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","146132","2020-10-21","18:00:00",""
"1525213","18.127","","20.408","","7.463","","90","","90","","90","","2760.83","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb8.01 Al8.02 Si39.98 O96","","- Al8.016 O96 Rb7.48 Si39.984 -","- Al8.016 O96 Rb7.48 Si39.984 -","- Al8.016 O96 Rb7.48 Si39.984 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with mordenite-type framework. V. Dehydrated Rb-mordenite","Materials Research Bulletin","1978","13","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","146133","2020-10-21","18:00:00",""
"1525214","18.193","","20.47","","7.506","","90","","90","","90","","2795.31","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs5.5 (Al8 Si40 O96)","","- Al8 Cs5.5 O96 Si40 -","- Al8.0016 Cs5.504 O96 Si39.9984 -","- Al8.0016 Cs5.504 O96 Si39.9984 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Position of cations and molecules in zeolites with the mordenite -type framework. VII. Dehydrated Rb-mordenite","Materials Research Bulletin","1978","13","","901","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","146134","2020-10-21","18:00:00",""
"1525393","11.1","","11.1","","11.1","","90","","90","","90","","1367.63","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd Er2 S4 -","- Cd Er2 S4 -","- Cd8 Er16 S32 -","8","0.0416667","","Tomas, A.; Shilo, I.; Guittard, M.","Structure cristalline du Spinelle Cd Er2 S4","Materials Research Bulletin","1978","13","","857","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525455","16.702","","3.8485","","8.934","","90","","90","","90","","574.256","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li Ta3 O8","","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li4 O32 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525456","16.6915","","3.8745","","8.931","","90","","90","","90","","577.579","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Li0.75 Ta3 O7.75 F0.25","","- F0.25 Li0.75 O7.75 Ta3 -","- Li0.75 O7.75 Ta3 -","- Li3 O31 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","146425","2020-10-21","18:00:00",""
"1525457","16.683","","3.9084","","8.92","","90","","90","","90","","581.618","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li0.5 Ta3 O7.5 F0.5","","- Li0.5 O7.5 Ta3 -","- Li0.5 O7.5 Ta3 -","- Li2 O30 Ta12 -","4","0.5","","Werner, P.E.; Marinder, B.O.; Magneli, A.","Structural studies on Li(1-x) Ta3 O(8-x) F(x) solid solutions by full-profile refinements of Guinier-Haegg X-Ray film data","Materials Research Bulletin","1978","13","","1371","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","146426","2020-10-21","18:00:00",""
"1525579","13.7862","","5.6555","","9.4204","","90","","102.509","","90","","717.053","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pb3 (P O4)2","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","","Angel, R.J.; Bismayer, U.; Marshall, W.G.","Renormalization of the phase transition in lead phosphate, Pb3 (P O4)2, by high pressure: structure","Journal of Physics: Condensed Matter","2001","13","","5353","5364","","","","","","","","","","","","","","","","","","","","","","has coordinates","146596","2020-10-21","18:00:00",""
"1525621","3.9299","","3.9299","","4.1239","","90","","90","","90","","63.69","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Pb (Hf0.2 Ti0.8) O3","","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","1","0.125","","Bedoya, C.; Muller, C.; Baudour, J.L.; Soubeyroux, J.L.; Bouree, F.; Roubin, M.","Ferroelectric - paraelectric phase transition in Pb Hf0.2 Ti0.8 O3 studied by neutron powder diffraction","Journal of Physics: Condensed Matter","2001","13","","6453","6470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525672","6.84993","","6.84993","","16.1205","","90","","90","","120","","655.06","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs6 F18 Pb6 -","6","0.333333","","Berastegui, P.; Eriksson, S.G.; Hull, S.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525673","4.7748","","4.7748","","4.7748","","90","","90","","90","","108.859","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs F3 Pb -","1","0.0208333","","Berastegui, P.; Hull, S.; Eriksson, S.G.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526034","5.2328","","9.0948","","20.207","","90","","95.694","","90","","956.932","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","(K0.95 Na0.05) (Al0.76 Fe0.14 Mg0.10)2 (Si3.25 Al0.75) O10 ((O H)1.96 F0.04)","","- Al2.27 F0.04 Fe0.28 H1.96 K0.95 Mg0.2 Na0.05 O11.96 Si3.25 -","- Al2.27 F0.04 Fe0.28 H1.96 K0.95 Mg0.2 Na0.05 O11.96 Si3.25 -","- Al9.08 F0.16 Fe1.12 H7.84 K3.8 Mg0.8 Na0.2 O47.84 Si13 -","4","0.5","","Mookherjee, M.; Redfern, S.A.T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M1: an in situ neutron diffraction and FTIR study","European Journal of Mineralogy (1,1989-)","2001","13","","545","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526263","5.3925","","11.9283","","11.7256","","113.044","","94.84","","103.064","","663.394","","","","","","","","","","","","","11","P -1","-P 1","2","","K2 Na1.026 Ca0.356 (Mn5.926 Mg0.64) (Ti1.896 Nb0.104) Si8 O26 (O H)4 F","","- Ca0.356 F H4 K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","1","0.5","","Piilonen, P.C.; McDonald, A.M.; Lalonde, A.E.","Kupletskite polytypes from the Lovozero massif, Kola peninsula, Russia: kupletskite-1A and kupletskite-Ma2b2c","European Journal of Mineralogy (1,1989-)","2001","13","","973","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526404","4.364","","4.364","","7.1759","","90","","90","","120","","118.352","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Cu0.453 Hg0.227) (Cu0.547 Hg0.273) I2","","- Cu Hg0.5 I2 -","- Cu1.0008 Hg0.4998 I2 -","- Cu1.0008 Hg0.4998 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526456","5.6618","","5.6618","","6.9407","","90","","90","","120","","192.683","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb ((Fe Ta) O6)0.5","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb Ta0.5 -","- Fe1.5 O9 Pb3 Ta1.5 -","3","0.166667","","Ivanov, S.A.; Eriksson, S.; Thomas, N.W.; Tellgren, R.; Rundlof, H.","A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2 Ta1/2) O3","Journal of Physics: Condensed Matter","2001","13","","25","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526556","5.8067","","5.8067","","13.19","","90","","90","","120","","385.154","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sr (V6 O11)","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Kosuge, K.; Yoshimura, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526559","5.831","","5.831","","13.3008","","90","","90","","120","","391.647","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pb (V6 O11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Yoshimura, K.; Kosuge, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526594","12.773","","12.773","","5.051","","90","","90","","120","","713.664","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","(Fe10.14 Zn1.80) (As O3)6 (O H)6 (As1.536 Si0.492 O6 (O H)0.492)","","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","1","0.0833333","","Keller, P.","Ekatite, (Fe(3+), Fe(2+), Zn)12 (O H)6 (As O3)6 (As O3, H O Si O3)2, a new mineral from Tsumeb, Namibia, and its crystal structure","European Journal of Mineralogy (1,1989-)","2001","13","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526793","3.4145","","3.4145","","5.816","","90","","90","","120","","58.723","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.21 Ti S2","","- Cu0.21 S2 Ti -","- Cu0.2106 S2 Ti -","- Cu0.2106 S2 Ti -","1","0.0833333","","Kusawake, T.; Wey, M.Y.; Takahashi, Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526795","9.9216","","9.9216","","9.9216","","90","","90","","90","","976.664","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cu0.326 Ti S2","","- Cu0.326 S2 Ti -","- Cu0.326 S2 Ti -","- Cu5.216 S32 Ti16 -","16","0.0833333","","Kusawake, T.; Takahashi, Y.; Wey, M.Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526929","8.334","","8.334","","8.334","","90","","90","","90","","578.843","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.2 Mn0.8) (Cu0.8 Mn1.2) O4","","- Cu Mn2 O4 -","- Cu1.01 Mn1.95 O4 -","- Cu8.08 Mn15.6 O32 -","8","0.0416667","","Waskowska, A.; Staun Olsen, J.; Gerward, L.; Steenstrup, S.; Talik, E.","Cu Mn2 O4 : properties and the high-pressure induced Jahn-Teller phase transition","Journal of Physics: Condensed Matter","2001","13","","2549","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527091","9.98","","5.03","","9.84","","90","","138.8","","90","","325.368","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","V3 O5","","- O5 V3 -","- O5 V3 -","- O20 V12 -","4","1","","Asbrink, S.; Friberg, S.; Magneli, A.; Andersson, G.","Note on the crystal structure of trivanadium pentoxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","603","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","148398","2020-10-21","18:00:00",""
"1527974","3.291","","3.291","","3.291","","90","","90","","90","","35.644","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Cr0.15 Ta0.85)","","- Cr0.15 Ta0.85 -","- Cr0.15 Ta0.85 -","- Cr0.3 Ta1.7 -","2","0.0208333","","Rassaerts, H.; Benesovsky, F.; Nowotny, H.","Untersuchungen in den Systemen Niob- und Tantal-Chrom- Kohlenstoff","Planseeberichte fuer Pulvermetallurgie","1965","13","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","149803","2020-10-21","18:00:00",""
"1528165","3.6","","3.6","","5.83","","90","","90","","120","","65.434","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","V Cl2","","- Cl2 V -","- Cl2 V -","- Cl2 V -","1","0.0833333","","Villadsen, J.","Note on the crystal structure of vanadium dichloride","Acta Chemica Scandinavica (1-27,1973-42,1988)","1959","13","","2146","2146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528750","4.553","","4.553","","12.92","","90","","90","","120","","231.947","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Ni3 C","","- C Ni3 -","- C Ni3 -","- C6 Ni18 -","6","0.166667","","Nagakura, S.","Study of metallic carbides by electron diffraction Part II. Crystal structure analysis of nickel carbide","Journal of the Physical Society of Japan","1958","13","","1005","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528768","4.38","","3.82","","10.79","","90","","90","","90","","180.534","","","","","","","","","","","","","2","P c m n","-P 2n 2ac","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Okazaki, A.","The crystal structure of germanium selenide = Ge Se","Journal of the Physical Society of Japan","1958","13","","1151","1155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528801","8.808","","7.2136","","9.6203","","90","","97.693","","90","","605.747","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Mn (H C O O)2 (H2 O)2)","","- C2 H6 Mn O6 -","- C2 H6 Mn O6 -","- C8 H24 Mn4 O24 -","4","1","","Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng","Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite)","Chemistry - A European Journal","2007","13","","9775","9790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529145","6.945","","19.533","","7.215","","90","","90","","90","","978.763","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","K2 U7 O22","","- K2 O22 U7 -","- K2 O22 U7 -","- K4 O44 U14 -","2","0.25","","Kovba, L.M.","Crystal Structure of K2 U7 O22","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","256","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","152208","2020-10-21","18:00:00",""
"1529146","6.821","","18.91","","7.3","","90","","121.56","","90","","802.323","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Li2 (U3 O10)","","- O10 U3 -","- O10 U3 -","- O40 U12 -","4","1","","Kovba, L.M.","Structure of lithium triuranate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","458","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","152209","2020-10-21","18:00:00",""
"1529177","7.084","","14.273","","5.972","","90","","90","","90","","603.829","","","","","","","","","","","","","4","A m a m","-A 2 2a","63","","Rb2 Mo O2 F4","","- F4 Mo O2 Rb2 -","- F4 Mo O2 Rb2 -","- F16 Mo4 O8 Rb8 -","4","0.25","","Sergienko, V.S.; Porai-Koshits, M.A.; Shodatchova, T.S.","Crystal Structure of Rb2 Mo O2 F4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","461","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529663","12.4368","","12.4368","","6.6653","","90","","90","","120","","892.828","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Na2 (U Br6)","","- Br6 Na2 U -","- Br6 Na2 U -","- Br18 Na6 U3 -","3","0.25","","Bogacz, A.; Bros, J.P.; Hewat, A.W.; Gaune-Escard, M.; Taylor, J.C.","New fast-ion conductors from uranium halides - the U Cl6 / Na2 U Br6 structures","Journal of Physics C","1980","13","","5273","5278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529961","9.501","","2.936","","7.753","","90","","90.44","","90","","216.263","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V14 O6","","- O6 V14 -","- O6 V14 -","- O6 V14 -","1","0.125","","Galkin, L.N.; Vavilova, V.V.; Fykin, L.E.","Structure of the suboxide V2 O in the system vanadium oxygen","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1839","1842","","","","","","","","","","","","","","","","","","","","","","has coordinates","154895","2020-10-21","18:00:00",""
"1530147","7.607","","7.607","","7.299","","90","","90","","90","","422.367","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","0.25","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530148","10.8","","10.672","","7.242","","90","","90","","90","","834.696","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H16 O32 P8 Rb8 -","8","0.5","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530158","11.26","","15.74","","6.76","","90","","90","","104","","1162.5","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","(N H4)2 (Ru N O Cl4 (O H)) (H Cl) H2 O","","- Cl5 H12 N3 O3 Ru -","- Cl5 H12 N3 O3 Ru -","- Cl20 H48 N12 O12 Ru4 -","4","1","","Khodashova, T.S.; Bokii, G.B.; Porai-Koshits, M.A.; Sergienko, V.S.; Parpiev, N.A.","Refinement of composition and structure of hydrolyzed ammonium nitroso penta chloro ruthenate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","186591","2020-10-21","18:00:00",""
"1530199","4.335","","4.335","","13.13","","90","","90","","90","","246.742","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","K2 U O4","","- K2 O4 U -","- K2 O4 U -","- K4 O8 U2 -","2","0.0625","","Kovba, L.M.","The crystal structure of potassium and sodium monouranates","Radiokhimiya","1971","13","","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530200","11.708","","5.805","","5.97","","90","","90","","90","","405.751","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Na2 U O4","","- Na2 O4 U -","- Na2 O4 U -","- Na8 O16 U4 -","4","0.5","","Kovba, L.M.","The crystal structure of potassium and sodium monouranates","Radiokhimiya","1971","13","","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530325","7.305","","6.594","","3.7662","","87.39","","85.19","","123.81","","149.27","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu Nb O3 F","","- Cu F Nb O3 -","- Cu F Nb O3 -","- Cu2 F2 Nb2 O6 -","2","1","","Lundberg, M.; Savborg, O.","The crystal structure of Cu Nb O3 F","Chemica Scripta","1979","13","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530416","7.34","","7.34","","6.975","","90","","90","","90","","375.782","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 P O4)","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Meyer, G.M.; Vettier, C.; Nelmes, R.J.","A single-crystal neutron-diffraction study of the crystal structure of tetragonal K H2 P O4 at high pressure (14 kbar)","Journal of Physics C","1980","13","","4035","4051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530494","7.07","","7.07","","7.07","","90","","90","","90","","353.393","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 (S O4)","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","0.0208333","","Nilsson, L.; Thomas, J.O.; Tofield, B.C.","The structure of the high temperature solid electrolyte lithium sulphate at 908 K","Journal of Physics C","1980","13","","6441","6451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530742","7.195","","5.484","","13.58","","90","","104.57","","90","","518.599","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","U O2 Mo O4","","- Mo U -","- Mo U -","- Mo4 U4 -","4","1","","Serezhkin, V.N.; Kovba, L.M.; Trunov, V.K.","About the structure of U O2 Mo O4","Radiokhimiya","1971","13","","659","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530877","12.588","","6.587","","8.889","","90","","102.4","","90","","719.857","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb Sb2 F7","","- F7 Rb Sb2 -","- F7 Rb Sb2 -","- F28 Rb4 Sb8 -","4","1","","Tichit, D.; Ducourant, M.B.; Fourcade, R.; Mascherpa, G.","Structure cristalline de Rb Sb2 F7","Journal of Fluorine Chemistry","1979","13","","45","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532165","5.7232","","3.6723","","6.367","","90","","90","","90","","133.817","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn As","","- As Mn -","- As Mn -","- As4 Mn4 -","4","0.5","","Suzuki, T.","The crystal structure of Mn As","Tohoku Gakuin Daigaku Kogakubu Kenkyu Hokoku","1978","13","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533906","8.359","","8.359","","8.359","","90","","90","","90","","584.067","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Al.2 Fe1.8 O4","","- Al0.2 Fe1.8 Mg O4 -","- Al0.2 Fe1.8 Mg O4 -","- Al1.6 Fe14.4 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533908","8.326","","8.326","","8.326","","90","","90","","90","","577.177","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Al.6 Fe1.4 O4","","- Al0.6 Fe1.4 Mg O4 -","- Al0.6 Fe1.4 Mg O4 -","- Al4.8 Fe11.2 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533910","8.297","","8.297","","8.297","","90","","90","","90","","571.167","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Al.8 Fe1.2 O4","","- Al0.8 Fe1.2 Mg O4 -","- Al0.8 Fe1.2 Mg O4 -","- Al6.4 Fe9.6 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533912","8.145","","8.145","","8.145","","90","","90","","90","","540.348","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe.6 Al1.4 O4","","- Al1.4 Fe0.6 Mg O4 -","- Al1.4 Fe0.6 Mg O4 -","- Al11.2 Fe4.8 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533914","8.096","","8.096","","8.096","","90","","90","","90","","530.654","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe.2 Al1.8 O4","","- Al1.8 Fe0.2 Mg O4 -","- Al1.8 Fe0.2 Mg O4 -","- Al14.4 Fe1.6 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533916","8.405","","8.405","","8.405","","90","","90","","90","","593.763","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Sc.2 Fe1.8 O4","","- Fe1.8 Mg O4 Sc0.2 -","- Fe1.8 Mg O4 Sc0.2 -","- Fe14.4 Mg8 O32 Sc1.6 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533918","8.416","","8.416","","8.416","","90","","90","","90","","596.097","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Sc.3 Fe1.7 O4","","- Fe1.7 Mg O4 Sc0.3 -","- Fe1.7 Mg O4 Sc0.3 -","- Fe13.6 Mg8 O32 Sc2.4 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533920","8.48","","8.48","","8.48","","90","","90","","90","","609.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Sc.7 Fe1.3 O4","","- Fe1.3 Mg O4 Sc0.7 -","- Fe1.3 Mg O4 Sc0.7 -","- Fe10.4 Mg8 O32 Sc5.6 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533922","8.521","","8.521","","8.521","","90","","90","","90","","618.688","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Sc1.0 Fe1.0 O4","","- Fe Mg O4 Sc -","- Fe Mg O4 Sc -","- Fe8 Mg8 O32 Sc8 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533924","8.395","","8.395","","8.395","","90","","90","","90","","591.646","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In.1 Fe1.9 O4","","- Fe1.9 In0.1 Mg O4 -","- Fe1.9 In0.1 Mg O4 -","- Fe15.2 In0.8 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533926","8.465","","8.465","","8.465","","90","","90","","90","","606.57","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In.3 Fe1.7 O4","","- Fe1.7 In0.3 Mg O4 -","- Fe1.7 In0.3 Mg O4 -","- Fe13.6 In2.4 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533928","8.48","","8.48","","8.48","","90","","90","","90","","609.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In.4 Fe1.6 O4","","- Fe1.6 In0.4 Mg O4 -","- Fe1.6 In0.4 Mg O4 -","- Fe12.8 In3.2 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533930","8.537","","8.537","","8.537","","90","","90","","90","","622.18","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In.7 Fe1.3 O4","","- Fe1.3 In0.7 Mg O4 -","- Fe1.3 In0.7 Mg O4 -","- Fe10.4 In5.6 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533932","8.586","","8.586","","8.586","","90","","90","","90","","632.955","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In1.0 Fe1.0 O4","","- Fe In Mg O4 -","- Fe In Mg O4 -","- Fe8 In8 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533934","8.366","","8.366","","8.366","","90","","90","","90","","585.536","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Cr.2 Fe1.8 O4","","- Cr0.2 Fe1.8 Mg O4 -","- Cr0.2 Fe1.8 Mg O4 -","- Cr1.6 Fe14.4 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533935","8.358","","8.358","","8.358","","90","","90","","90","","583.858","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Cr.6 Fe1.4 O4","","- Cr0.6 Fe1.4 Mg O4 -","- Cr0.6 Fe1.4 Mg O4 -","- Cr4.8 Fe11.2 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533937","8.351","","8.351","","8.351","","90","","90","","90","","582.392","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe.9 Cr1.1 O4","","- Cr1.1 Fe0.9 Mg O4 -","- Cr1.1 Fe0.9 Mg O4 -","- Cr8.8 Fe7.2 Mg8 O32 -","8","0.0416667","","Kirichok, P.P.; Antoshchuk, A.P.","Control of the properties of magnetic ferrite-alloys using the ions Al3+, Cr3+, Sc3+, In3+","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1977","13","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534575","13.054","0.003","17.729","0.004","20.998","0.004","90","","93.5","0.03","90","","4850.6","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na13 (H3 Cu4 (H2 O)2 (Cu W9 O34)2) (H2 O)42","","- Cu6 H91 Na13 O112 W18 -","- Cu6 Na13 O112 W18 -","- Cu12 Na26 O224 W36 -","2","0.5","","Limanski, E.M.; Piepenbrink, M.; Droste, E.; Burgemeister, K.; Krebs, B.","Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates","Journal of Cluster Science","2002","13","","369","379","10.1023/A:1020551016077","","","","","","","","","","","","","","","","","","","","","has coordinates","177094","2020-10-21","18:00:00",""
"1534579","12.316","0.002","13.716","0.003","14.925","0.003","99.36","0.03","104.21","0.03","101.55","0.03","2334.3","","","","","","","","","","","","","6","P -1","-P 1","2","","Na9 K (Fe4 (H2 O)2 (Fe W9 O34)2) (H2 O)34","","- Fe6 H72 K Na9 O104 W18 -","- Fe6 K Na9.02 O104.02 W18 -","- Fe6 K Na9.02 O104.02 W18 -","1","0.5","","Limanski, E.M.; Piepenbrink, M.; Burgemeister, K.; Droste, E.; Krebs, B.","Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates","Journal of Cluster Science","2002","13","","369","379","10.1023/A:1020551016077","","","","","","","","","","","","","","","","","","","","","has coordinates","177094","2020-10-21","18:00:00",""
"1535274","10.5907","","10.5907","","10.5907","","90","","90","","90","","1187.88","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Sn1.76 Ta1.56 Sn0.44 O6.54","","- O6.54 Sn2.2 Ta1.56 -","- O6.54 Sn2.2004 Ta1.56 -","- O52.32 Sn17.6032 Ta12.48 -","8","0.0416667","","Birchall, T.; Sleight, A.W.","Nonstoichiometric phasis in the Sn-Sb-O and Sn-Ta-O systems having pyrochlore-related structures","Journal of Solid State Chemistry","1975","13","","118","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","162565","2020-10-21","18:00:00",""
"1535456","5.262","","9.102","","10.094","","90","","100.83","","90","","474.839","","","","","","","","","","","","","9","C 1 2 1","C 2y","5","","K2 (Li2.54 Mn Al1.96 Fe0.24) (Si6.68 Al1.32 O20) (F3.16 O0.84 H1.08)","","- Al3.28 F3.16 Fe0.24 H1.08 K2 Li2.54 Mn O20.84 Si6.68 -","- Al3.28 F3.16 Fe0.24 K2 Li2.54 Mn O20.84 Si6.68 -","- Al3.28 F3.16 Fe0.24 K2 Li2.54 Mn O20.84 Si6.68 -","1","0.25","","Mizota, T.; Kato, T.; Harada, K.","The crystal structure of masutomilite, Mn analogue of zinnwaldite","Mineralogical Journal (Japan)","1986","13","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535551","9.3599","","9.879","","16.014","","90","","90","","90","","1480.76","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Os2 (C O)8 Cl2)","","- C8 Cl2 O8 Os2 -","- C8 Cl2 O8 Os2 -","- C32 Cl8 O32 Os8 -","4","1","","Moss, J.R.; Niven, M.L.; Sutton, E.E.","Di- and tri-nuclear osmium carbonyl chloride complexes: x-ray structures of Os2 (C O)8 Cl2 and Os3 (C O)12 Cl2","Transition Metal Chemistry","1988","13","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","162959","2020-10-21","18:00:00",""
"1535555","12.105","","10.612","","8.798","","90","","117.02","","90","","1006.82","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Os3 (C O)12 Cl2)","","- C12 Cl2 O12 Os3 -","- C12 Cl2 O12 Os3 -","- C24 Cl4 O24 Os6 -","2","0.25","","Moss, J.R.; Niven, M.L.; Sutton, E.E.","Di- and tri-nuclear osmium carbonyl chloride complexes: x-ray structures of Os2 (C O)8 Cl2 and Os3 (C O)12 Cl2","Transition Metal Chemistry","1988","13","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","162963","2020-10-21","18:00:00",""
"1535777","5.561","","6.947","","6.763","","90","","90","","102.13","","255.437","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","K2 (Pd (O H)4)","","- H4 K2 O4 Pd -","- H4 K2 O4 Pd -","- H8 K4 O8 Pd2 -","2","0.5","","Il'inets, A.M.; Ivanov-Emin, B.N.; Petrishcheva, L.P.; Izmailovich, A.S.","Structure of dipotassium tetrahydroxopalladate(II)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1987","13","","1660","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535802","20.354","","11.8042","","13.9355","","90","","131.134","","90","","2521.76","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Rb3 (W8 S8 O8 (O H)8 (H3 W O6)) (H2 O)13","","- H37 O35 Rb3 S8 W9 -","- O35 Rb3 S8 W9 -","- O70 Rb6 S16 W18 -","2","0.25","","Cadot, E.; Marrot, J.; Secheresse, F.","Synthesis, structure and properties of the cyclic mixed valence oxothiotungstate (W8 S8 O8 (O H)8 (H3 W O6))(3-)","Journal of Cluster Science","2002","13","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","163270","2020-10-21","18:00:00",""
"1536107","5.336","","5.336","","4.259","","90","","90","","120","","105.019","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 D5.5","","- D5.5 La Ni5 -","- D5.52 La Ni5 -","- D5.52 La Ni5 -","1","0.166667","","Noreus, D.; Olsson, L.G.; Werner, P.E.","The structure and dynamics of hydrogen in La Ni5 H6 studied by elastic and inelastic neutron scattering","Journal of Physics F","1983","13","","715","727","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536464","8.395","","8.395","","8.395","","90","","90","","90","","591.646","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Fe1.4 Ni1.3 Sn.3 O4","","- Fe1.4 Ni1.3 O4 Sn0.3 -","- Fe1.4 Ni1.3 O4 Sn0.3 -","- Fe11.2 Ni10.4 O32 Sn2.4 -","8","0.0416667","","Djega-Mariadassou, C.; Basile, F.; Poix, P.","Etude Cristallographique et Magnetique de la Solution Solide Fe2-2xNi1+xSnxO4","Journal of Solid State Chemistry","1975","13","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536606","16.5719","","14.6189","","21.2528","","90","","111.677","","90","","4784.65","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na14 (Na2 (U O2)2 (Si W9 O34)2) (H2 O)38","","- H76 Na16 O110 Si2 U2 W18 -","- Na15.4 O109 Si2 U2 W18 -","- Na30.8 O218 Si4 U4 W36 -","2","0.5","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164382","2020-10-21","18:00:00",""
"1536609","40.1747","","18.2584","","18.0817","","90","","90","","90","","13263.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)17 ((U O2)3 (H2 O)4 (As3 W26 O94)) (H2 O)43","","- As3 O147 U3 W26 -","- As3 O147 U3 W26 -","- As12 O588 U12 W104 -","4","0.5","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164386","2020-10-21","18:00:00",""
"1536612","54.848","","80.809","","20.2874","","90","","90","","90","","89918.1","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","(C (N H2)3)18 (Na (U O2)3 (O H) (H2 O)6 (As4 W40 O140 (W O))) (H2 O)25","","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C192.8 As64 N575.2 Na16 O2864 U48 W656 -","16","1","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536616","26.5285","","26.5285","","15.0463","","90","","90","","90","","10589","","","","","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Li18 Na4 ((Na (H2 O))4 (U O2)4 (O H)2 (Si W10 O36)4) (H2 O)58.92","","- Na8 O216.92 Si4 U4 W40 -","- Na8 O216.92 Si4 U4 W40 -","- Na16 O433.84 Si8 U8 W80 -","2","0.125","","Kim Kee-Chan; Pope, M.T.; Gaunt, A.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164396","2020-10-21","18:00:00",""
"1536619","24.18","","31.696","","58.012","","90","","90","","90","","44460.9","","","","","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Na14 K8 ((K (H2 O))4 (U O2)4 (O H)2 (Si W10 O36)4) (H2 O)62","","- K12 Na2 O220 Si4 U4 W40 -","- K12 Na2 O220 Si4 U4 W40 -","- K96 Na16 O1760 Si32 U32 W320 -","8","0.25","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","164401","2020-10-21","18:00:00",""
"1536743","13.973","","22.656","","31.252","","90","","90","","90","","9893.52","","","","","","","","","","","","","6","P n m m :2","-P 2c 2bc","59","","Na25 (Ce (H2 O)5 As4 W40 O140) (H2 O)63","","- As4 Ce H136 Na25 O208 W40 -","- As4 Ce Na25 O203 W40 -","- As8 Ce2 Na50 O406 W80 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536746","18.908","","20.032","","28.653","","86.95","","75.68","","67.52","","9706.13","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)19 ((Sb W9 O33)4 (W O2 (H2 O))2 Ce3 (H2 O)8 (Sb4 O4)) (H2 O)48","","- Ce3 N5.66 O163.185 Sb8 W38 -","- Ce3 N5.66 O163.185 Sb8 W38 -","- Ce6 N11.32 O326.37 Sb16 W76 -","2","1","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","164584","2020-10-21","18:00:00",""
"1536748","11.504","","15.245","","17.647","","90","","90","","90","","3094.9","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Na9 (Ce (W5 O18)2) (Na Cl) (H2 O)30","","- Ce Cl Na7 O65 W10 -","- Ce Cl Na7 O65 W10 -","- Ce2 Cl2 Na14 O130 W20 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537009","5.45","","5.45","","5.45","","90","","90","","90","","161.879","","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0416667","","Zav'yalova, A.A.; Imamov, R.M.","Special features of the crystal structure of bismuth oxides","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","869","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537092","3.347","","3.347","","6.094","","90","","90","","120","","59.121","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ti0.75 V0.25) S","","- S Ti0.75 V0.25 -","- S Ti0.75 V0.25 -","- S2 Ti1.5 V0.5 -","2","0.0833333","","Franzen, H.F.; Leebrick, D.H.; Laabs, F.","Variation of lattice parameters in Ti S - V S solid solutions","Journal of Solid State Chemistry","1975","13","","307","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537130","6.3294","","6.3294","","26.396","","90","","90","","120","","915.786","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca2 Hf7 O16 -","- Ca2 Hf7 O16 -","- Ca6 Hf21 O48 -","3","0.166667","","Rossell, H.J.; Scott, H.G.","The structure of the fluorite-related phase Ca2 Hf7 O16","Journal of Solid State Chemistry","1975","13","","345","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537222","10.361","","12.153","","7.044","","90.79","","99.22","","92.83","","874.222","","","","","","","","","","","","","10","P -1","-P 1","2","","K2 Ti0.95 Ca1.85 Na0.98 Fe0.11 Mn0.07 Mg0.02 (Si7 O18) (O H) O1.02","","- Ca1.85 Fe0.11 H K2 Mg0.02 Mn0.07 Na0.98 O20.02 Si7 Ti0.95 -","- Ca1.85 Fe0.11 H K2 Mg0.02 Mn0.07 Na O20 Si7 Ti0.95 -","- Ca3.7 Fe0.22 H2 K4 Mg0.04 Mn0.14 Na2 O40 Si14 Ti1.9 -","2","1","","Rozhdestvenskaya, I.V.; Nikishova, L.V.; Lazebnik, K.A.","Peculiarities of the crystal structure of minerals from the tinaksite group.","Mineralogiceskij Zhurnal","1991","13","","3","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537262","10.568","","10.568","","3.726","","90","","90","","120","","360.379","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","N H3 (Mo O3)3","","- H3 Mo3 N O9 -","- Mo3 N O9 -","- Mo6 N2 O18 -","2","0.166667","","Garin, J.L.; Blanc, J.M.","Refinamiento de la estructura cristalina del N H3 (Mo O3)3","Contribuciones Cientificas y Technologicas. Universidad Technica del Estado. Santiago de Chile","1983","13","","43","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537646","9.834","","9.834","","9.834","","90","","90","","90","","951.022","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- La2 Pb Te4 -","- La2.001 Pb0.999 Te4 -","- La8.004 Pb3.996 Te16 -","4","0.0833333","","Aloman, A.","Roentgenographic research in the system Ln2 Te3 - Ln3 Te4 - Ln2 Pb Te4","Rev. Roumaine des Science Techniques, Ser. Metall.","1968","13","","185","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537738","5.8196","","11.8056","","8.3263","","90","","90","","90","","572.049","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Mg3 (Ga2 Ge O8)","","- Ga2 Ge Mg3 O8 -","- Ga2 Ge Mg3 O8 -","- Ga8 Ge4 Mg12 O32 -","4","0.25","","Barbier, J.; Hyde, B.G.","Spinelloid phases in the system Mg Ga2 O4 - Mg2 Ge O4","Physics and Chemistry of Minerals (Germany)","1986","13","","382","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537996","4.044","","4.044","","4.168","","90","","90","","120","","59.031","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Nd3 Ni2 Si4)0.33","","- Nd0.99 Ni0.66 Si1.32 -","- Nd Ni0.66 Si1.34 -","- Nd Ni0.66 Si1.34 -","1","0.0416667","","Felner, I.; Schieber, M.","Ferromagnetic rare-earth and diamagnetic iron sublattices in ternary R Fe0.67 Ge1.33 type compounds","Solid State Communications","1973","13","","457","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","166392","2020-10-21","18:00:00",""
"1538002","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U Sb","","- Sb U -","- Sb U -","- Sb4 U4 -","4","0.0208333","","Ferro, R.","Sulle leghe dell' uranio coll' antimonia. II","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1952","13","","151","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538003","9.095","","9.095","","9.095","","90","","90","","90","","752.33","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U3 Sb4","","- Sb4 U3 -","- Sb4 U3 -","- Sb16 U12 -","4","0.0833333","","Ferro, R.","Sulle leghe dell' uranio coll' antimonia. I","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1952","13","","53","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","166401","2020-10-21","18:00:00",""
"1538096","3.81","","3.81","","3.81","","90","","90","","90","","55.306","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 V -","- Ir3 V -","- Ir3 V -","1","0.0208333","","Giessen, B.C.; Grant, N.J.; Dangel, P.N.","New phases in the vanadium-iridium system and a tentative constitution diagram","Journal of the Less-Common Metals","1967","13","","62","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538159","3.8","","3.8","","7.762","","90","","90","","90","","112.083","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","U P2","","- P2 U -","- P2 U -","- P4 U2 -","2","0.125","","Iandelli, A.","Sugli arseniuri di uranio. II. La struttura cristallina di U As2 ed U P2","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1952","13","","144","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538210","7.432","","7.432","","7.432","","90","","90","","90","","410.504","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Rh2 Yb -","- Rh2 Yb -","- Rh16 Yb8 -","8","0.0416667","","Iandelli, A.; Palenzona, A.","Das Verhalten des Ytterbiums mit den Metallen der achten Gruppe des periodischen Systems","Revue de Chimie Minerale","1976","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538215","5.98","","5.98","","5.98","","90","","90","","90","","213.847","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mn Te -","- Mn Te -","- Mn4 Te4 -","4","0.0208333","","Griffiths, C.H.","Cubic manganous telluride","Journal of Materials Science","1978","13","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538312","11.63","","13.65","","6.878","","90","","90","","90","","1091.88","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Zr4 (O H)6 (Cr O4)5 (H2 O)2","","- Cr5 H10 O28 Zr4 -","- Cr5 O28 Zr4 -","- Cr10 O56 Zr8 -","2","0.25","","Lundgren, G.","On the crystal structure of a zirconium hydroxide chromate","Arkiv foer Kemi","1958","13","","59","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538422","24.756","","24.756","","24.756","","90","","90","","90","","15172","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","H59 (Al O2)59 (Si O2)133","","- Al59 H59 O384 Si133 -","- Al58.944 O384 Si133.056 -","- Al58.944 O384 Si133.056 -","1","0.00520833","","Olson, D. H.; Dempsey, E.","The crystal structure of the zeolite hydrogen faujasite","Journal of Catalysis","1969","13","2","221","231","10.1016/0021-9517(69)90395-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538518","5.17","","2.97","","9.33","","90","","99.8","","90","","141.171","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Al4 Si8 O20 (O H)4)0.3333","","- Al1.3332 H1.3332 O7.9992 Si2.6664 -","- Al1.3334 O7.9996 Si2.6668 -","- Al1.3334 O7.9996 Si2.6668 -","1","0.125","","Rayner, J.H.; Brown, G.","Structure of pyrophyllite","Clays and Clay Minerals (-28,1980)","1966","13","","73","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538733","4.38","","4.38","","4.38","","90","","90","","90","","84.028","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ta O","","- O Ta -","- O Ta -","- O4 Ta4 -","4","0.0208333","","Klechkovskaya, V.V.; Khitrova, V.I.","An electron-diffraction study of the gamma phase in the Ta-O system","Soviet Physics, Crystallography (= Kristallografiya)","1968","13","","428","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539067","3.623","","3.623","","3.623","","90","","90","","90","","47.556","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ni17 Ta3)0.2","","- Ni3.336 Ta0.664 -","- Ni3.336 Ta0.664 -","- Ni3.336 Ta0.664 -","1","0.00520833","","Ruhl, R.C.; Giessen, B.C.; Cohen, M.; Grant, N.J.","Metastable hexagonal close-packed phases in Ni - rich Ni - Nb and Ni - Ta alloys","Journal of the Less-Common Metals","1967","13","","611","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","167800","2020-10-21","18:00:00",""
"1539282","5.194","","9.003","","9.802","","90","","100.1","","90","","451.254","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ca Mg2 Al (Al3 Si O10) (O H)2","","- Al4 Ca H2 Mg2 O12 Si -","- Al4 Ca Mg2 O12 Si -","- Al8 Ca2 Mg4 O24 Si2 -","2","0.25","","Takeuchi, Y.","Structures of brittle micas","Clays and Clay Minerals (-28,1980)","1966","13","","1","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539284","5.123","","8.886","","19.22099","","90","","95.5","","90","","870.968","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ca Al2 (Al2 Si2) O10 (O H)2","","- Al4 Ca H2 O12 Si2 -","- Al4 Ca O12 Si2 -","- Al16 Ca4 O48 Si8 -","4","0.5","","Takeuchi, Y.","Structures of Brittle Micas","Clays and Clay Minerals (-28,1980)","1966","13","","1","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539437","8.262","","6.024","","8.05","","90","","79.47","","90","","393.904","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr O2 (H2 O2)2","","- H4 O6 Sr -","- O6 Sr -","- O24 Sr4 -","4","0.5","","Vannerberg, N.G.","On the system (Sr O2) (H2 O) (H2 O2) I. The Crystal Structure of alpha- and beta-Sr O2 (H2 O2)2","Arkiv foer Kemi","1958","13","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539440","7.715","","8.754","","6.015","","90","","86.33","","90","","405.403","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr O2 (H2 O2)2","","- H4 O6 Sr -","- O6 Sr -","- O24 Sr4 -","4","0.5","","Vannerberg, N.G.","On the system (Sr O2) (H2 O) (H2 O2) I. The crystal structure of alpha- and beta-Sr O2 (H2 O2)2","Arkiv foer Kemi","1958","13","","29","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539442","6.08","","6.01","","4.8","","90","","90","","90","","175.396","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Hg O2 -","- Hg O2 -","- Hg4 O8 -","4","0.5","","Vannerberg, N.G.","Formation and structure of mercuric peroxides","Arkiv foer Kemi","1959","13","","515","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539479","4.26","","4.26","","5.47","","90","","90","","120","","85.968","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pb Pt -","- Pb Pt -","- Pb2 Pt2 -","2","0.0833333","","Zhuravlev, N.N.; Smirnova, Ye.M.; Zhdanov, G.S.","Investigation of ternary solid solutions on the basis of superconducting compounds","Physics of Metals and Metallography","1962","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539483","4.04","","4.04","","5.52","","90","","90","","120","","78.025","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd Sb -","- Pd Sb -","- Pd2 Sb2 -","2","0.0833333","","Zhuravlev, N.N.; Zhdanov, G.S.; Smirnova, Ye.M.","Investigation of ternary solid solutions on the basis of superconducting compounds","Physics of Metals and Metallography","1962","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539486","4.12","","4.12","","5.47","","90","","90","","120","","80.41","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pt Sb -","- Pt Sb -","- Pt2 Sb2 -","2","0.0833333","","Zhuravlev, N.N.; Zhdanov, G.S.; Smirnova, Ye.M.","Investigation of ternary solid solutions on the basis of superconducting compounds","Physics of Metals and Metallography","1962","13","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539758","5.4682","","5.4682","","5.4682","","90","","90","","90","","163.506","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ge Zn P2","","- Ge P2 Zn -","- Ge P2 Zn -","- Ge2 P4 Zn2 -","2","0.0208333","","Endo, T.; Takizawa, H.; Shimada, M.","New II-IV-V2 family of periodic compounds synthesized under high pressure","Ceramic Engineering and Science Proceedings","1992","13","","844","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540775","8.075","","8.075","","8.075","","90","","90","","90","","526.535","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Zorina, N.G.; Kvitka, S.S.","Refinement of the structure of the spinel Al2 Mg O4","Soviet Physics, Crystallography (= Kristallografiya)","1969","13","","599","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541229","5.064","","12.04","","4.494","","90","","90","","90","","274.002","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn Sr -","- Sn Sr -","- Sn4 Sr4 -","4","0.25","","Merlo, F.; Fornasini, M.L.","CrB-type equiatomic compounds of europium, ytterbium and alkaline-earth metals with Si, Ge, Sn, Pb","Journal of the Less-Common Metals","1967","13","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541543","12.53","","12.53","","12.53","","90","","90","","90","","1967.22","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca2.06 Bi.94 Fe3.97 V1.03 O12","","- Bi0.94 Ca2.06 Fe3.97 O12 V1.03 -","- Bi0.93 Ca2.07 Fe3.96 O12 V1.04 -","- Bi7.44 Ca16.56 Fe31.68 O96 V8.32 -","8","0.0833333","","Dukhovskaya, E.L.; Saksonov, Yu.G.","Effect of the Crystal Structure of Bi3-2n Ca2n Fe5-n Vn O12 Compounds on the Magnitude of the Exchange Interaction","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1971","13","","232","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","172894","2020-10-21","18:00:00",""
"1541545","12.512","","12.512","","12.512","","90","","90","","90","","1958.76","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca2.32 Bi.68 Fe3.84 V1.16 O12","","- Bi0.68 Ca2.32 Fe3.84 O12 V1.16 -","- Bi0.69 Ca2.31 Fe3.84 O12 V1.16 -","- Bi5.52 Ca18.48 Fe30.72 O96 V9.28 -","8","0.0833333","","Dukhovskaya, E.L.; Saksonov, Yu.G.","Effect of the Crystal Structure of Bi3-2n Ca2n Fe5-n Vn O12 Compounds on the Magnitude of the Exchange Interaction","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1971","13","","232","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","172896","2020-10-21","18:00:00",""
"1541547","12.493","","12.493","","12.493","","90","","90","","90","","1949.85","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca2.60 Bi.40 Fe3.70 V1.30 O12","","- Bi0.4 Ca2.6 Fe3.7 O12 V1.3 -","- Bi0.39 Ca2.61 Fe3.7 O12 V1.3 -","- Bi3.12 Ca20.88 Fe29.6 O96 V10.4 -","8","0.0833333","","Dukhovskaya, E.L.; Saksonov, Yu.G.","Effect of the Crystal Structure of Bi3-2n Ca2n Fe5-n Vn O12 Compounds on the Magnitude of the Exchange Interaction","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1971","13","","232","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","172898","2020-10-21","18:00:00",""
"1541587","8.3976","","8.3976","","8.3976","","90","","90","","90","","592.196","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe4.42 Fe5.245 Ti4.72 Al0.7 Mg0.4 Cr0.3 V.15) (Fe7.82 Mn.114 Si0.06) O32","","- Al0.7 Cr0.3 Fe17.485 Mg0.4 Mn0.114 O32 Si0.06 Ti4.72 V0.15 -","- Al0.704 Cr0.304 Fe17.4896 Mg0.4 Mn0.112 O32 Si0.064 Ti4.72 V0.16 -","- Al0.704 Cr0.304 Fe17.4896 Mg0.4 Mn0.112 O32 Si0.064 Ti4.72 V0.16 -","1","0.00520833","","Stout, M.Z.; Bayliss, P.","Crystal Structure of a Natural Titanomagnetite","Canadian Mineralogist","1975","13","","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541616","9.8155","","9.8155","","9.8155","","90","","90","","90","","945.665","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Nb3 Sb2 Te5 -","- Nb3 Sb2 Te5 -","- Nb12 Sb8 Te20 -","4","0.0416667","","Jensen, P.; Kjekshus, A.","The crystal structure of Nb3 Sb2 Te5","Journal of the Less-Common Metals","1967","13","","357","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541710","5.752","","11.294","","16.689","","90","","90","","90","","1084.17","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Na.76 Zn1.76 Ti2.24 O6.24 F.76","","- F0.76 Na0.76 O6.24 Ti2.24 Zn1.76 -","- F0.77 Na0.76 O6.23 Ti2.24 Zn1.76 -","- F6.16 Na6.08 O49.84 Ti17.92 Zn14.08 -","8","0.25","","Mayer, M.; de Roy, A.; Perez, G.","Etude structurale de la phase Na1-x Zn2-x Ti2+x O6+x F1-x","Revue de Chimie Minerale","1976","13","","540","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","173151","2020-10-21","18:00:00",""
"1541725","16.34","","9.55","","18.76","","90","","125","","90","","2398.02","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (Mo O4)3","","- In2 Mo3 O12 -","- In2 Mo3 O12 -","- In16 Mo24 O96 -","8","2","","Plyasova, L.M.; Klevtsova, R.F.; Kefeli, L.M.; Borisov, S.V.","An X-ray study of In2 (Mo O4)3","Kristallografiya","1968","13","","38","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541733","15.516","","15.516","","11.769","","90","","90","","90","","2833.34","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","Ca19 Mg Fe2 Al10 (Si18 O70) (O H)8","","- Al10 Ca19 Fe2 H8 Mg O78 Si18 -","- Al10 Ca19 Fe2 Mg O78 Si18 -","- Al20 Ca38 Fe4 Mg2 O156 Si36 -","2","0.125","","Rucklidge, J.C.; Kocman, V.; Whitlow, S.H.; Gabe, E.J.","The crystal structures of three canadian vesuvianites","Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542033","9.638","","7.291","","7.172","","85.44","","105.6","","106.11","","466.347","","","","","","","","","","","","","3","P -1","-P 1","2","","Na Sb5 O8","","- Na O8 Sb5 -","- Na O8 Sb5 -","- Na2 O16 Sb10 -","2","1","","Sauvage, J.P.; Maraine, P.; Perez, G.","Etude structurale de l'antimoniate (III) de sodium Na Sb5 O8","Revue de Chimie Minerale","1976","13","","556","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542078","13.66","","13.66","","5.964","","90","","90","","90","","1112.86","","","","","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- Nb O2 -","- Nb O2 -","- Nb32 O64 -","32","2","","Pynn, R.; Axe, J.D.; Thomas, R.","Structural distortions in the low-temperature phase of Nb O2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1976","13","","2965","2975","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542119","9.47","","7.69","","9.06","","90","","90","","90","","659.788","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","N2 H6 Nb O F5 H2 O","","- F5 H8 N2 Nb O2 -","- F5 N2 Nb O2 -","- F20 N8 Nb4 O8 -","4","0.5","","Gorbunova, Yu.E.; Kuznetsov, V.G.; Pakhomov, V.I.; Kovaleva, E.S.","Crystal Structure of Hydrazinium Oxopentafluoroniobate Monohydrate N2 H6 (Nb O F5) H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","165","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542234","4.884","","8.463","","9.495","","90","","99.85","","90","","386.674","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Li2 Ni O2.88 -","- Li2 Ni O2.88 -","- Li16 Ni8 O23.04 -","8","1","","Migeon, H.N.; Courtois, A.; Gleitzer, C.; Zanne, M.","Preparation et etude de Li2 Ni O3-y (y <= 0.135)","Revue de Chimie Minerale","1976","13","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542241","7.6","","7.6","","10.778","","90","","90","","90","","622.537","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Li Cs2 Cr (C N)6","","- C6 Cr Cs2 Li N6 -","- C6 Cr Cs2 Li N6 -","- C12 Cr2 Cs4 Li2 N12 -","2","0.5","","Ryan, R.R.; Swanson, B.L.","Phonon-driven phase changes in Cs2 Li Cr (C N)6","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1976","13","","5320","5329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542243","7.505","","13.946","","7.86","","90","","126.43","","90","","661.902","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K Sb3 O5","","- K O5 Sb3 -","- K O5 Sb3 -","- K4 O20 Sb12 -","4","1","","Sauvage, J.P.; Maraine, P.; Perez, G.","Structure cristalline de l'antimoniate (III) de potassium K Sb3 O5","Revue de Chimie Minerale","1976","13","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542360","20.3857","0.0006","5.1021","0.0001","26.5935","0.0019","90","","95.583","0.009","90","","2752.9","0.2","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.75 H13.75 N2.25 O1.5 -","- C16.75 H13.75 N2.25 O1.5 -","- C134 H110 N18 O12 -","8","1","","Li, Zi; Matzger, Adam J.","Influence of Coformer Stoichiometric Ratio on Pharmaceutical Cocrystal Dissolution: Three Cocrystals of Carbamazepine/4-Aminobenzoic Acid.","Molecular pharmaceutics","2016","13","3","990","995","10.1021/acs.molpharmaceut.5b00843","","","1.54178","CuKα","","0.1811","0.1624","","","0.4071","0.4235","","","","","","1.767","","","","has coordinates,has disorder","181440","2020-10-21","18:00:00",""
"1543374","17.548","0.002","8.8135","0.0012","20.148","0.003","90","","106.579","0.004","90","","2986.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl2 N2 O3 Ru -","- C31 H40 Cl2 N2 O3 Ru -","- C124 H160 Cl8 N8 O12 Ru4 -","4","1","","Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han","Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.","Molecular pharmaceutics","2016","13","7","2543","2554","10.1021/acs.molpharmaceut.6b00348","","","0.71073","MoKα","","0.18","0.0771","","","0.1235","0.1516","","","","","","1.022","","","","has coordinates","184938","2020-10-21","18:00:00",""
"1543375","8.207","0.0003","12.9134","0.0006","15.5705","0.0007","95.336","0.002","104.273","0.002","96.96","0.002","1574.44","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl7 N2 Ru -","- C30 H33 Cl7 N2 Ru -","- C60 H66 Cl14 N4 Ru2 -","2","1","","Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han","Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.","Molecular pharmaceutics","2016","13","7","2543","2554","10.1021/acs.molpharmaceut.6b00348","","","0.71073","MoKα","","0.0836","0.052","","","0.1042","0.1139","","","","","","1.047","","","","has coordinates,has disorder","184938","2020-10-21","18:00:00",""
"1544731","4.1797","0.0002","4.1797","0.0002","2.6669","0.0001","90","","90","","90","","46.59","0.004","","","","","","","100","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 1bar","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1 bar","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544732","4.1738","0.0006","4.1738","0.0006","2.6663","0.0005","90","","90","","90","","46.449","0.013","","","","","","","950000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 0.95 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 0.95 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544733","4.1693","0.0007","4.1693","0.0007","2.6652","0.0006","90","","90","","90","","46.329","0.015","","","","","","","1990000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 1.99 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 1.99 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544734","4.1642","0.0006","4.1642","0.0006","2.6636","0.0006","90","","90","","90","","46.188","0.014","","","","","","","2960000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 2.96 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 2.96 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190903","2020-10-21","18:00:00",""
"1544735","4.1564","0.0006","4.1564","0.0006","2.6602","0.0005","90","","90","","90","","45.957","0.013","","","","","","","4550000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 4.55 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 4.55 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544736","4.152","0.001","4.152","0.001","2.659","0.0009","90","","90","","90","","45.84","0.02","","","","","","","5170000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 5.17 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.17 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190904","2020-10-21","18:00:00",""
"1544738","5.6845","0.0004","5.6845","0.0004","5.6845","0.0004","90","","90","","90","","183.69","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 1 atm","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188922","2020-10-21","18:00:00",""
"1544739","5.6196","0.0006","5.6196","0.0006","5.6196","0.0006","90","","90","","90","","177.47","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 32 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188923","2020-10-21","18:00:00",""
"1544740","5.5852","0.0004","5.5852","0.0004","5.5852","0.0004","90","","90","","90","","174.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 49 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188924","2020-10-21","18:00:00",""
"1544741","5.5745","0.0004","5.5745","0.0004","5.5745","0.0004","90","","90","","90","","173.23","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","NiS2","","NiS2 at 54 kbar","- Ni S2 -","- Ni S2 -","- Ni4 S8 -","4","0.166667","","Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y.","Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar","Mineralogical Journal","1987","13","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","188925","2020-10-21","18:00:00",""
"1544889","4.769","0.006","10.243","0.027","6.003","0.011","90","","90","","90","","293.2","1","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.9Fe0.1)2SiO4","","olivine","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe0.8 Mg7.2 O16 Si4 -","4","0.5","","Aikawa, N.; Tokonami, M.","Crystal structure and cation distribution of ""cleavable"" olivines Sample: Oeyama","Mineralogical Journal","1987","13","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","189417","2020-10-21","18:00:00",""
"1544890","4.754","0.005","10.209","0.025","5.986","0.01","90","","90","","90","","290.5","0.9","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.88Fe0.12)2SiO4","","olivine","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Aikawa, N.; Tokonami, M.","Crystal structure and cation distribution of ""cleavable"" olivines Sample: Happo-One","Mineralogical Journal","1987","13","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","189418","2020-10-21","18:00:00",""
"1544891","5.417","0.0001","5.417","0.0001","5.417","0.0001","90","","90","","90","","158.956","0.005","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 1 atm","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189419","2020-10-21","18:00:00",""
"1544892","5.3825","0.0005","5.3825","0.0005","5.3825","0.0005","90","","90","","90","","155.94","0.03","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 3.1 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189420","2020-10-21","18:00:00",""
"1544893","5.3702","0.0005","5.3702","0.0005","5.3702","0.0005","90","","90","","90","","154.87","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","FeS2","","pyrite at 4.2 GPa","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189421","2020-10-21","18:00:00",""
"1544894","5.5348","0.0004","5.5348","0.0004","5.5348","0.0004","90","","90","","90","","169.55","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1 atm","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189422","2020-10-21","18:00:00",""
"1544895","5.5068","0.0003","5.5068","0.0003","5.5068","0.0003","90","","90","","90","","166.993","0.016","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 1.9 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189423","2020-10-21","18:00:00",""
"1544896","5.4799","0.0004","5.4799","0.0004","5.4799","0.0004","90","","90","","90","","164.56","0.02","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","CoS2","","cattierite at 3.6 GPa","- Co S2 -","- Co S2 -","- Co4 S8 -","4","0.166667","","Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.","High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa","Mineralogical Journal","1986","13","","202","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189424","2020-10-21","18:00:00",""
"1544897","15.04","0.02","2.886","0.002","14.64","0.02","90","","92.4","0.2","90","","634.9","1.3","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","Rb0.27MnO2","","Rb0.27MnO2","- Mn O2 Rb0.27 -","- Mn O2 Rb0.274571 -","- Mn14 O28 Rb3.844 -","14","1.75","","Tamada, O.; Yamamoto, N.","The crystal structure of a new manganese dioxide (Rb0.27MnO2) with a giant tunnel","Mineralogical Journal","1986","13","","130","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","209176","2020-10-21","18:00:00",""
"1544898","15.561","0.008","15.561","0.008","11.777","0.007","90","","90","","90","","2852","3","","","","","","","","","","","","8","P 4/n n c","-P 4a 2bc","126","Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4","","natural vesuvianite","- Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 -","- Al11.272 Ca18.94 F2 Fe1.662 H8 O76 Si18 -","- Al22.544 Ca37.88 F4 Fe3.324 H16 O152 Si36 -","2","","","Yoshiasa, A.; Matsumoto, T.","The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups","Mineralogical Journal","1986","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","189427","2020-10-21","18:00:00",""
"1544899","15.565","","15.565","","11.816","","90","","90","","90","","2862.65","","","","","","","","","","","","","8","P 4/n n c","-P 4a 2bc","126","Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4","","natural vesuvianite","- Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2 -","- Al11.272 Ca18.984 F2 Fe1.564 O76 Si18 -","- Al22.544 Ca37.968 F4 Fe3.128 O152 Si36 -","2","","","Yoshiasa, A.; Matsumoto, T.","The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups Sample: reanalyzed data of Coda et al. (1970)","Mineralogical Journal","1986","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","189428","2020-10-21","18:00:00",""
"1544900","12.415","0.003","12.415","0.003","8.215","0.001","90","","90","","120","","1096.6","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 2.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544901","12.391","0.003","12.391","0.003","8.2","0.001","90","","90","","120","","1090.3","0.4","","","","","","","","","","","","3","R -3","-R 3","148","Be2SiO4","","phenacite at 3.2 GPa","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","","","Kogure, T.; Takeuchi, Y.","Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa","Mineralogical Journal","1986","13","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544904","3.652","0.003","3.652","0.003","3.866","0.002","90","","90","","120","","44.65","0.06","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","Li3N","","Li3N at 20 C","- Li3 N -","- Li3 N -","- Li3 N -","1","0.0416667","","Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.","Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 20 C","Mineralogical Journal","1986","13","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","189438","2020-10-21","18:00:00",""
"1544905","3.698","0.004","3.698","0.004","3.888","0.003","90","","90","","120","","46.05","0.08","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","Li3N","","Li3N at 400 C","- Li3 N -","- Li3 N -","- Li3 N -","1","0.0416667","","Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.","Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 400 C","Mineralogical Journal","1986","13","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","189439","2020-10-21","18:00:00",""
"1545007","14.1242","0.0001","14.1242","0.0001","16.617","0.0001","90","","90","","90","","3314.98","0.04","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C52 H96 Cl2 Mg N4 O30 -","- C52 H60 Cl2 Mg N4 O30 -","- C104 H120 Cl4 Mg2 N8 O60 -","2","0.5","","Barker, Emily C.; Martin, Adam D.; Garvey, Christopher J.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Ogden, Mark I.; Becker, Thomas","Thermal annealing behaviour and gel to crystal transition of a low molecular weight hydrogelator.","Soft matter","2017","13","5","1006","1011","10.1039/c6sm02431a","","","1.54184","CuKα","","0.0833","0.0826","","","0.2396","0.2406","","","","","","1.091","","","","has coordinates,has disorder","191768","2020-10-21","18:00:00",""
"1545149","4.1617","0.0007","4.1617","0.0007","2.6633","0.0006","90","","90","","90","","46.128","0.015","","","","","","","3490000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 3.49 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 3.49 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190909","2020-10-21","18:00:00",""
"1545150","4.1501","0.0008","4.1501","0.0008","2.6575","0.0008","90","","90","","90","","45.771","0.019","","","","","","","5840000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 5.84 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 5.84 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190910","2020-10-21","18:00:00",""
"1545151","4.1487","0.0006","4.1487","0.0006","2.6573","0.0003","90","","90","","90","","45.737","0.011","","","","","","","6090000","","","","","2","P 42/m n m","-P 4n 2n","136","SiO2","","stishovite at 6.09 GPa","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Sugiyama, M.; Endo, S.; Koto, K.","The crystal structure of stishovite under pressure up to 6 GPa :Sample at 6.09 GPa","Mineralogical Journal","1987","13","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","190911","2020-10-21","18:00:00",""
"1546953","16.3124","0.0008","13.3301","0.0007","11.8532","0.0006","90","","109.949","0.002","90","","2422.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 N2 Rh -","- C24 H25 Cl4 N2 Rh -","- C96 H100 Cl16 N8 Rh4 -","4","1","","Cerón-Carrasco, José Pedro; Ruiz, José; Vicente, Consuelo; de Haro, Concepción; Bautista, Delia; Zúñiga, José; Requena, Alberto","DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA.","Journal of chemical theory and computation","2017","13","8","3898","3910","10.1021/acs.jctc.7b00139","","","0.71073","MoKα","","0.0405","0.0369","","","0.0902","0.0926","","","","","","1.08","","","","has coordinates","200265","2020-10-21","18:00:00",""
"1552094","17.577","0.004","17.577","0.004","17.577","0.004","90","","90","","90","","5430","2","290","","290","","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- Ga7 H12 Na5 O6 S13 -","- Ga7 H12 Na5 O6 S13 -","- Ga56 H96 Na40 O48 S104 -","8","0.0833333","","Jack Rumble; Paz Vaqueiro","Na5(Ga4S)(GaS4)3 6H2O: A three-dimensional gallium sulphide containing a novel octahedral building block","Solid State Sciences","2011","13","","1137","1142","10.1016/j.solidstatesciences.2011.01.003","","","0.71073","MoKα","","0.0732","0.0319","","0.0639","0.0313","0.0313","","","","","","1.1206","","","","has coordinates","216971","2020-10-21","18:00:00",""
"1552936","21.2554","0.0003","5.93942","0.0001","17.7277","0.0003","90","","90.6651","0.0012","90","","2237.88","0.06","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H58 N8 O13 -","- C44 H58 N8 O13 -","- C88 H116 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","1.54184","CuKα","","0.0431","0.0422","","","0.1168","0.1174","","","","","","1.154","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1552937","21.2","0.004","5.9359","0.0009","17.737","0.003","90","","90.692","0.005","90","","2231.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H57 N8 O13 -","- C44 H57 N8 O13 -","- C88 H114 N16 O26 -","2","0.5","","Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud","Accelerated charge transfer in water-layered peptide assemblies.","Energy & environmental science","2020","13","1","96","101","10.1039/c9ee02875g","","","0.71073","MoKα","","0.095","0.0519","","","0.0854","0.0972","","","","","","0.983","","","","has coordinates","247756","2020-10-21","18:00:00",""
"1556123","11.287","0.002","10.884","0.002","15.828","0.003","90","","107.092","0.003","90","","1858.6","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","weixrs03","","","- C17 H28 Cl N Ni O Si -","- C17 H28 Cl N Ni O Si -","- C68 H112 Cl4 N4 Ni4 O4 Si4 -","4","1","","Shrestha, Ruja; Weix, Daniel J.","Reductive conjugate addition of haloalkanes to enones to form silyl enol ethers.","Organic letters","2011","13","10","2766","2769","10.1021/ol200881v","","","0.71073","MoKα","","0.0934","0.0447","","","0.0823","0.0965","","","","","","1.002","","","","has coordinates","243485","2020-10-21","18:00:00",""
"1559217","8.7795","0.0012","8.7795","0.0012","8.1964","0.0016","90","","90","","120","","547.13","0.15","153","2","153.15","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C I3 Pb -","- C I3 Pb -","- C2 I6 Pb2 -","2","0.166667","","Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi","An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation","Energy & Environmental Science","2020","13","11","4344","4352","10.1039/D0EE01736A","","","0.71073","MoKα","","0.0974","0.0954","","","0.2868","0.2902","","","","","","1.251","","","","has coordinates","259603","2020-12-06","14:25:06",""
"1559374","13.3351","0.0004","16.6987","0.0004","17.3392","0.0003","88.307","0.002","76.712","0.002","82.866","0.002","3728.61","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1041","0.0889","","","0.274","0.2882","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559375","13.6375","0.0006","15.398","0.0005","19.4824","0.0006","105.241","0.003","94.313","0.004","99.33","0.003","3865.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.1814","0.0961","","","0.2539","0.3134","","","","","","0.986","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559376","14.699","0.002","17.173","0.003","17.727","0.002","65.789","0.014","65.996","0.013","72.836","0.014","3683.8","1","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C82 H88 Cl2 N8 O2 S5 -","- C82 H88 Cl2 N8 O2 S5 -","- C164 H176 Cl4 N16 O4 S10 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.3262","0.1302","","","0.322","0.4378","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559377","14.6444","0.0012","15.9434","0.0016","17.986","0.0011","106.356","0.007","113.691","0.007","95.799","0.008","3578.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl2 N4 O4 S2 -","- C68 H68 Cl2 N4 O4 S2 -","- C136 H136 Cl4 N8 O8 S4 -","2","1","","Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang","Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors","Energy & Environmental Science","2020","13","12","5028","5038","10.1039/D0EE02251A","","x-ray","1.54184","CuKα","","0.2605","0.2023","","","0.5001","0.5666","","","","","","1.275","","","","has coordinates","260796","2021-01-07","06:40:51",""
"1559737","11.767","0.0003","18.7367","0.0004","12.0965","0.0003","90","","117.762","0.004","90","","2359.98","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Fe4 N8 O30 S6 -","- C20 H60 Fe4 N8 O30 S6 -","- C40 H120 Fe8 N16 O60 S12 -","2","0.5","","Hu, Lei; Wang, Qiushi; Zhu, Xiandong; Meng, Tao; Huang, Binbin; Yang, Jindong; Lin, Xiaoming; Tong, Yexiang","Novel Fe<sub>4</sub>-based metal-organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage.","Nanoscale","2021","13","2","716","723","10.1039/d0nr07231a","","","1.54178","CuKα","","0.0619","0.0544","","","0.1446","0.1533","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1560234","6.2639","0.0006","22.294","0.002","30.28","0.004","90","","95.509","0.01","90","","4209","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14",";6cpp@12cpp;","","","- C55 H38 Cl2 -","- C55 H38 Cl2 -","- C220 H152 Cl8 -","4","1","","Zhao, Chong; Liu, Fupin; Feng, Lai; Nie, Mingzhe; Lu, Yuxi; Zhang, Jie; Wang, Chunru; Wang, Taishan","Construction of a double-walled carbon nanoring.","Nanoscale","2021","13","9","4880","4886","10.1039/d0nr08931a","","","0.71073","MoKα","","0.3507","0.1876","","","0.3752","0.462","","","","","","1.066","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560296","12.191","0.002","5.344","0.0009","13.545","0.002","90","","112.401","0.003","90","","815.8","0.2","293","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-N,N''-diacetylbiuret","alpha-1,5-diacetyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.069","0.0586","","","0.1626","0.1779","","","","","","1.028","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560297","4.4215","0.0012","20.224","0.006","9.3","0.003","90","","93.496","0.006","90","","830.1","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-N,N''-diacetylbiuret","beta-1,5-diacteyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.0754","0.0448","","","0.0963","0.1085","","","","","","1.049","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560316","17.0278","0.0002","37.9099","0.0004","26.2407","0.0003","90","","99.317","0.001","90","","16715.5","0.3","103","2","103.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C144 H123 Au11 Cl6 Cu N3 P7 S3 -","- C144 H123 Au11 Cl6 Cu N3 P7 S3 -","- C576 H492 Au44 Cl24 Cu4 N12 P28 S12 -","4","1","","Wu, Haiming; Fang, Ye-Guang; Anumula, Rajini; Andrew, Gaya N.; Cui, Ganglong; Fang, Weihai; Luo, Zhixun; Yao, Jiannian","A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence.","Nanoscale","2021","13","10","5300","5306","10.1039/d0nr07624d","","","0.71073","MoKα","","0.0513","0.0442","","","0.1106","0.114","","","","","","1.049","","","","has coordinates","263799","2021-04-05","15:06:05",""
"1561002","12.6947","0.0004","15.5293","0.0005","18.1049","0.0006","90","","109.99","0.004","90","","3354.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48.1 H105.26 N4 O24.52 V6 -","- C48.104 H105.26 N4 O24.526 V6 -","- C96.208 H210.52 N8 O49.052 V12 -","2","0.5","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0757","0.0597","","","0.1691","0.1827","","","","","","1.044","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561003","13.8593","0.0001","17.3129","0.0001","17.6954","0.0001","90","","100.618","0.001","90","","4173.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 N3 O23 V6 -","- C25 H51 N3 O23 V6 -","- C100 H204 N12 O92 V24 -","4","1","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0668","0.0645","","","0.1586","0.16","","","","","","1.136","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561004","13.0905","0.0004","16.6569","0.0005","18.2558","0.0005","90","","92.394","0.003","90","","3977.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H57 O19 P V6 -","- C27 H57 O19 P V6 -","- C108 H228 O76 P4 V24 -","4","0.5","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0554","0.0472","","","0.1379","0.1444","","","","","","1.072","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561005","18.13612","0.00016","16.90558","0.00016","19.59064","0.00019","90","","100.831","0.0009","90","","5899.52","0.1","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H99 N3 O19 V6 -","- C46 H99 N3 O19 V6 -","- C184 H396 N12 O76 V24 -","4","1","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0636","0.0544","","","0.1471","0.1542","","","","","","1.063","","","","has coordinates,has disorder","301787","2025-08-18","22:19:33",""
"1561588","17.209","0.0003","17.209","0.0006","28.557","0.0005","90","","90","","120","","7324.1","0.3","100","","100","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C3 Cs2 K0.5 O68 P2 W18 -","- C3 Cs2 K0.5 O68 P2 W18 -","- C6 Cs4 K O136 P4 W36 -","2","0.166667","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","","0.61","synchrotron","","0.1532","0.1008","","","0.3464","0.3674","","","","","","1.057","","","","has coordinates","266117","2021-06-05","19:12:49",""
"1561589","24.1713","0.0015","16.5887","0.0009","12.6541","0.0006","90","","90","","90","","5073.9","0.5","153.15","","153.15","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cs5 O62 P2 W18 -","- Cs5.003 O62 P2 W18 -","- Cs10.006 O124 P4 W36 -","2","0.25","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","x-ray","0.71073","MoKα","","0.1326","0.0969","","","0.2643","0.2956","","","","","","1.049","","","","has coordinates,has disorder","266117","2021-06-05","19:12:50",""
"1561590","17.261","0.005","30.571","0.008","28.331","0.008","90","","105.688","0.008","90","","14393","7","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs5 O62 P2 W18 -","- Cs5 O62 P2 W18 -","- Cs20 O248 P8 W72 -","4","1","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","","0.71075","MoKα","","0.1981","0.174","","","0.4477","0.4733","","","","","","1.582","","","","has coordinates,has disorder","266117","2021-06-05","19:12:50",""
"1561669","19.6886","0.0013","19.6886","0.0013","26.1118","0.0019","90","","90","","90","","10122","1.2","150","2","150.01","","","","","","","","","6","I -4","I -4","82","","","","- As4 K5 Na O170 Ru4 W40 -","- As4 K5 Na O170 Ru4 W40 -","- As8 K10 Na2 O340 Ru8 W80 -","2","0.25","","Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.","Nanoscale","2021","13","17","8077","8086","10.1039/d1nr01447a","","","0.71073","MoKα","","0.0605","0.0481","","","0.1141","0.1196","","","","","","1.048","","","","has coordinates","266118","2021-06-05","19:13:01",""
"1561670","19.178","0.003","19.677","0.003","30.803","0.005","94.414","0.005","98.453","0.005","116.279","0.004","10176","3","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- As4 Cl2 K Na12 O179.5 W40 -","- As4 Cl2 K Na12 O179.5 W40 -","- As8 Cl4 K2 Na24 O359 W80 -","2","1","","Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.","Nanoscale","2021","13","17","8077","8086","10.1039/d1nr01447a","","","0.71073","MoKα","","0.0722","0.0443","","","0.0881","0.0989","","","","","","1.01","","","","has coordinates","266118","2021-06-05","19:13:01",""
"1562236","11.241","0.0006","13.279","0.0007","18.002","0.001","86.469","0.002","75.801","0.002","81.052","0.002","2572.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 In2 N O12 -","- C44 H29 In2 N O12 -","- C88 H58 In4 N2 O24 -","2","1","","Jindal, Swati; Anjum, Gulshan; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Mechanoluminescence and aggregation-enhanced emission (AEE) of an In-MOF based on a 9,9'-diphenyl-9<i>H</i>-fluorene tetraacid linker.","Nanoscale","2021","13","21","9668","9677","10.1039/d1nr00898f","","x-ray","0.71073","MoKα","","0.0738","0.0523","","","0.1428","0.1591","","","","","","0.978","","","","has coordinates","266119","2021-06-05","19:13:10",""
"1563646","15.2765","0.0007","7.2467","0.0003","24.6245","0.0012","90","","91.077","0.004","90","","2725.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 -","- C33 H24 N6 -","- C132 H96 N24 -","4","1","","Liang, Juncong; Liang, Junhui; Hao, Aiyou; Xing, Pengyao","Symmetry breaking-induced double-strand helices in H-bonded coassembly.","Nanoscale","2021","13","30","12929","12937","10.1039/d1nr02515e","","x-ray","1.54184","CuKα","","0.0879","0.0538","","","0.1388","0.1555","","","","","","1.036","","","","has coordinates","268829","2021-09-06","11:49:19",""
"1563647","11.7863","0.0014","24.768","0.003","28.259","0.003","112.963","0.003","96.27","0.003","103.206","0.003","7211.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C336 H288 N96 -","16","8","","Liang, Juncong; Liang, Junhui; Hao, Aiyou; Xing, Pengyao","Symmetry breaking-induced double-strand helices in H-bonded coassembly.","Nanoscale","2021","13","30","12929","12937","10.1039/d1nr02515e","","","0.71073","MoKα","","0.3552","0.1506","","","0.3029","0.3853","","","","","","1.329","","","","has coordinates","268829","2021-09-06","11:49:19",""
"1563713","15.9963","0.0006","29.4039","0.0011","16.5323","0.0006","90","","107.526","0.0008","90","","7415.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C144 H336 Ag40 O48 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0428","0.038","","","0.0957","0.0989","","","","","","1.053","","","","has coordinates","268831","2021-09-06","11:50:02",""
"1563714","17.9783","0.0012","26.4928","0.0018","18.7771","0.0013","90","","112.71","0.0012","90","","8250.1","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C162 H372 Ag40 O54 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0432","0.0367","","","0.0943","0.0981","","","","","","1.039","","","","has coordinates,has disorder","268831","2021-09-06","11:50:02",""
"1563715","18.4077","0.0012","18.8892","0.0013","33.16","0.002","78.1","0.001","84.05","0.001","83.281","0.001","11167.1","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H216 Ag20 P12 Pt Se24 -","- C192 H216 Ag20 P12 Pt Se24 -","- C384 H432 Ag40 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.139","0.077","","","0.212","0.2383","","","","","","1.034","","","","has coordinates,has disorder","268831","2021-09-06","11:50:02",""
"1563817","9.3959","0.0018","10.604","0.002","13.407","0.003","97.634","0.002","101.52","0.002","114.601","0.002","1154.6","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Ce N4 O10 -","- C22 H17 Ce N4 O10 -","- C44 H34 Ce2 N8 O20 -","2","1","","Zheng, Tianxiang; Kang, Xiaomin; Liu, Zhiliang","Effective enhancement of capacitive performance by the facile exfoliation of bulk metal-organic frameworks into 2D-functionalized nanosheets.","Nanoscale","2021","13","31","13273","13284","10.1039/d1nr02164h","","","0.71073","MoKα","","0.0176","0.0173","","","0.0454","0.0456","","","","","","1.108","","","","has coordinates","268830","2021-09-06","11:49:35",""
"1564329","19.559","0.002","19.559","0.002","16.966","0.003","90","","90","","90","","6490.4","1.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C272 H240 N80 O48 -","16","1","","Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay","A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.","Analytical methods : advancing methods and applications","2021","13","37","4266","4279","10.1039/d1ay00963j","","","0.71073","MoKα","","0.083","0.0419","","","0.097","0.115","","","","","","1.008","","","","has coordinates","269598","2021-10-06","13:26:33",""
"1564330","8.4663","0.0013","9.2044","0.0014","11.8424","0.0018","73.774","0.002","70.534","0.002","80.563","0.002","832.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N12 O12 -","- C34 H28 Cu2 N12 O12 -","- C34 H28 Cu2 N12 O12 -","1","0.5","","Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay","A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.","Analytical methods : advancing methods and applications","2021","13","37","4266","4279","10.1039/d1ay00963j","","","0.71073","MoKα","","0.0712","0.0578","","","0.1501","0.1653","","","","","","1.096","","","","has coordinates","269598","2021-10-06","13:26:35",""
"1564392","10.1211","0.0011","11.5033","0.0012","12.865","0.0014","108.536","0.003","97.069","0.003","96.61","0.003","1390.3","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H31 O26 Sm2 -","- C15 H31 O26 Sm2 -","- C30 H62 O52 Sm4 -","2","1","","Zhao, Xiao-Yang; Wang, Jia; Yang, Qi-Shan; Fu, Dong-Lei; Jiang, Dao-Kuan","A hydrostable samarium(III)-MOF sensor for the sensitive and selective detection of tryptophan based on a ""dual antenna effect"".","Analytical methods : advancing methods and applications","2021","13","35","3994","4000","10.1039/d1ay01050f","","","0.71073","MoKα","","0.0198","0.017","","","0.0408","0.0418","","","","","","1.063","","","","has coordinates","269599","2021-10-06","13:26:48",""
"1564608","10.859","0.0002","11.9981","0.0002","16.6267","0.0002","76.377","0.001","89.763","0.001","76.25","0.001","2041.88","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","2","","Li, Menglian; Li, Shaorui; Zhang, Kexin; Chi, Xin; Zhou, Hang; Xu, Hai-Bing; Zhang, Yuexing; Li, Quan; Wang, Dong; Zeng, Ming-Hua","Coordination-directed self-assembly of molecular motors: towards a two-wheel drive nanocar.","Nanoscale","2021","13","39","16748","16754","10.1039/d1nr05046j","","x-ray","1.54184","CuKα","","0.0447","0.0409","","","0.113","0.1164","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1564609","38.163","0.0011","17.6194","0.0007","7.3988","0.0003","90","","92.801","0.003","90","","4969.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Ag N4 O4 -","- C54 H44 Ag N4 O4 -","- C216 H176 Ag4 N16 O16 -","4","0.5","","Li, Menglian; Li, Shaorui; Zhang, Kexin; Chi, Xin; Zhou, Hang; Xu, Hai-Bing; Zhang, Yuexing; Li, Quan; Wang, Dong; Zeng, Ming-Hua","Coordination-directed self-assembly of molecular motors: towards a two-wheel drive nanocar.","Nanoscale","2021","13","39","16748","16754","10.1039/d1nr05046j","","","1.54184","CuKα","","0.0551","0.0421","","","0.1052","0.1122","","","","","","1.047","","","","has coordinates","270465","2021-11-06","20:16:18",""
"1564691","16.4329","0.0002","56.1369","0.0008","18.7093","0.0003","90","","99.717","0.001","90","","17011.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H132 Ag4 Au14 Cl6 P12 -","- C150 H132 Ag4 Au14 Cl6 P12 -","- C600 H528 Ag16 Au56 Cl24 P48 -","4","1","","Pan, Peiyao; Zhou, Chuanjun; Li, Hao; Zhu, Chen; Chen, Cheng; Kang, Xi; Zhu, Manzhou","Reversible transformation between Au<sub>14</sub>Ag<sub>8</sub> and Au<sub>14</sub>Ag<sub>4</sub> nanoclusters.","Nanoscale","2021","13","40","17162","17167","10.1039/d1nr05123g","","","1.54186","CuKα","","0.0816","0.0706","","","0.1936","0.2095","","","","","","1.025","","","","has coordinates","270466","2021-11-06","20:16:36",""
"1564692","17.3969","0.0005","23.5948","0.0004","23.5308","0.0005","90","","90.862","0.002","90","","9657.7","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C154 H132 Ag8 Au14 Cl4 N4 P12 -","- C154 H132 Ag8 Au14 Cl4 N4 P12 -","- C308 H264 Ag16 Au28 Cl8 N8 P24 -","2","0.5","","Pan, Peiyao; Zhou, Chuanjun; Li, Hao; Zhu, Chen; Chen, Cheng; Kang, Xi; Zhu, Manzhou","Reversible transformation between Au<sub>14</sub>Ag<sub>8</sub> and Au<sub>14</sub>Ag<sub>4</sub> nanoclusters.","Nanoscale","2021","13","40","17162","17167","10.1039/d1nr05123g","","x-ray","1.54186","CuKα","","0.1247","0.0942","","","0.2574","0.2872","","","","","","1.028","","","","has coordinates","270466","2021-11-06","20:16:36",""
"1564740","11.7612","0.0006","13.5991","0.0007","14.6943","0.0007","90","","101.831","0.002","90","","2300.3","0.2","296.15","","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Co N4 O22 -","- C50 H44 Co N4 O22 -","- C100 H88 Co2 N8 O44 -","2","0.5","","Duan, Xinde; Ren, Shuangshuang; Ge, Fayuan; Zhu, Xukun; Zhang, Mingdao; Zheng, Hegen","MOF-derived CoNi,CoO,NiO@N-C bifunctional oxygen electrocatalysts for liquid and all-solid-state Zn-air batteries.","Nanoscale","2021","13","41","17655","17662","10.1039/d1nr04537g","","","0.71073","MoKα","","0.0495","0.0375","","","0.0876","0.0935","","","","","","1.027","","","","has coordinates","270463","2021-11-06","20:15:40",""
"1564793","16.1712","0.0004","16.1712","0.0004","24.9066","0.0007","90","","90","","120","","5640.7","0.3","293","2","293","2","","","","","","","","8","P -3 m 1","-P 3 2""","164","","","","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C24 H24 Cr12 K15 Nb6 O211.999 P4 W30 -","2","0.166667","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71073","MoKα","","0.0647","0.0454","","","0.0883","0.0944","","","","","","1.076","","","","has coordinates,has disorder","271182","2021-12-07","03:23:52",""
"1564794","15.8474","0.0003","15.8474","0.0003","21.4754","0.0006","90","","90","","120","","4670.76","0.18","173.15","","173.15","","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","PIC 2","","- C12 H12 Cr6 K2 Nb O104.5 P2 W17 -","- C18 H12 Cr6 K1.9998 Nb1.0002 O106 P2 W16.9998 -","- C36 H24 Cr12 K3.9996 Nb2.0004 O212 P4 W33.9996 -","2","0.0833333","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71075","MoKα","","0.0833","0.0736","","","0.1791","0.1832","","","","","","1.23","","","","has coordinates","271182","2021-12-07","03:23:53",""
"1564795","15.8007","0.0002","26.937","0.0004","29.2946","0.0006","90","","96.5576","0.0016","90","","12386.9","0.4","153.15","","153.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","PIC 1","","- C12 H12 Cr6 K4 N Nb O105.5 P2 W17 -","- C12 H12 Cr6 K4 N Nb1.0002 O105.5 P2 W16.9998 -","- C48 H48 Cr24 K16 N4 Nb4.0008 O422 P8 W67.9992 -","4","1","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71073","MoKα","","0.0732","0.0589","","","0.1522","0.1608","","","","","","1.04","","","","has coordinates","271182","2021-12-07","03:23:53",""
"1564935","7.4373","0.0015","9.664","0.002","12.06","0.003","74.068","0.006","82.863","0.006","83.792","0.006","824.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ag F0 N4 O3 P -","- C16 H14 Ag N4 O3 P -","- C32 H28 Ag2 N8 O6 P2 -","2","1","","Biswas, Sourav; Das, Anish Kumar; Nath, Akashdeep; Paul, Souradip; Suheshkumar Singh, M.; Mandal, Sukhendu","Novel class of water-soluble phosphonate silver cluster assembled material for efficient photoelectric sensing and photoacoustic imaging.","Nanoscale","2021","13","41","17325","17330","10.1039/d1nr05646h","","","0.71073","MoKα","","0.1304","0.0642","","","0.1115","0.136","","","","","","1.028","","","","has coordinates","270464","2021-11-06","20:16:00",""
"1564936","9.0805","0.0009","10.1637","0.001","23.374","0.002","90","","90","","90","","2157.2","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C108 H92 N12 O8 -","4","1","","Dey, Sunanda; Paul, Sukanya; Debsharma, Kingshuk; Sinha, Chittaranjan","A highly emissive Zn(II)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H<sub>2</sub>PO<sub>4</sub><sup>-</sup><i>via</i> ""use"" and ""throw"" device fabrication.","Analytical methods : advancing methods and applications","2021","13","44","5282","5292","10.1039/d1ay01575c","","","0.71073","MoKα","","0.1373","0.1007","","","0.1796","0.1951","","","","","","1.118","","","","has coordinates","271149","2021-12-07","02:19:08",""
"1565013","7.2165","0.0002","12.5371","0.0004","16.4763","0.0006","90","","90","","90","","1490.68","0.08","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(1-(benzo[b]thiophen-5-yl)ethyl)morpholin-4-ium chloride","","- C15 H20 Cl N O S -","- C15 H20 Cl N O S -","- C60 H80 Cl4 N4 O4 S4 -","4","1","","Kremsmair, Alexander; Wilke, Henrik R.; Simon, Matthias M.; Schmidt, Quirin; Karaghiosoff, Konstantin; Knochel, Paul","General stereoretentive preparation of chiral secondary mixed alkylmagnesium reagents and their use for enantioselective electrophilic aminations.","Chemical science","2021","13","1","44","49","10.1039/d1sc05315a","","","0.71073","MoKα","","0.047","0.0382","","","0.0823","0.0862","","","","","","1.058","","","","has coordinates","272562","2022-02-04","19:05:23",""
"1565226","7.72","0.0002","7.7534","0.0002","9.0532","0.0002","90","","94.725","0.002","90","","540.05","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0597","0.0594","","","0.1443","0.145","","","","","","1.097","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565227","7.7253","0.0005","7.7557","0.0004","9.0549","0.0005","90","","94.727","0.005","90","","540.68","0.05","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0453","0.0355","","","0.092","0.0962","","","","","","1.054","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565228","7.748","0.0001","7.6312","0.0001","8.9986","0.0001","90","","95.11","0.001","90","","529.941","0.011","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0296","0.0295","","","0.0809","0.081","","","","","","1.029","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565229","7.699","0.0001","7.6119","0.0001","8.9599","0.0001","90","","94.873","0.001","90","","523.188","0.011","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rac-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","0.5","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.035","0.0348","","","0.087","0.0871","","","","","","1.116","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565230","7.7527","0.0003","7.6368","0.0003","8.9989","0.0004","90","","95.097","0.004","90","","530.68","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0287","0.0268","","","0.0725","0.0734","","","","","","1.059","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565368","7.3043","0.0003","9.0923","0.0003","12.6109","0.0005","80.349","0.003","86.679","0.003","72.338","0.003","786.73","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9.97 Cl4.03 N2 S -","- C15 H9.965 Cl4.035 N2 S -","- C30 H19.93 Cl8.07 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0368","0.036","","","0.0943","0.095","","","","","","1.028","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565369","7.10603","0.00016","7.22142","0.00017","15.6955","0.0004","83.2406","0.0019","78.4301","0.0019","71.106","0.002","745.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.0769","0.0778","","","","","","1.055","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1565370","9.1703","0.0004","13.7683","0.0007","12.5807","0.0006","90","","96.799","0.003","90","","1577.26","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.102","0.0738","","","0.2026","0.2238","","","","","","1.036","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565371","14.4699","0.0008","13.6411","0.0007","16.045","0.001","90","","115.564","0.002","90","","2857","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl4 N2 S -","- C13 H6 Cl4 N2 S -","- C104 H48 Cl32 N16 S8 -","8","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.0866","0.0484","","","0.0982","0.1119","","","","","","1.029","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565372","11.5111","0.0015","7.7055","0.0008","16.9368","0.0018","90","","104.127","0.012","90","","1456.8","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0454","0.0388","","","0.1031","0.1076","","","","","","1.053","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565373","8.9856","0.0005","9.2182","0.0003","9.374","0.0006","103.868","0.004","94.53","0.005","95.061","0.004","746.85","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C28 H16 Cl8 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0275","0.0267","","","0.0724","0.073","","","","","","1.066","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565374","7.4264","0.0007","11.9574","0.0011","11.966","0.0009","115.075","0.009","91.228","0.008","95.201","0.008","956.37","0.16","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl4 N2 O S -","- C16 H12 Cl4 N2 O S -","- C32 H24 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0611","0.0546","","","0.1486","0.1565","","","","","","1.056","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565375","7.8074","0.0003","15.8724","0.0004","13.5003","0.0004","90","","105.795","0.003","90","","1609.82","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9.88 Cl4.12 N2 S -","- C15 H9.877 Cl4.123 N2 S -","- C60 H39.508 Cl16.492 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0748","0.0744","","","0.1732","0.1733","","","","","","1.318","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565376","7.3899","0.0001","10.5325","0.0002","20.5855","0.0004","90","","96.598","0.002","90","","1591.64","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1183","0.1198","","","","","","1.057","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565377","9.9369","0.0004","12.2664","0.0004","13.3652","0.0005","91.036","0.003","107.068","0.004","109.355","0.003","1457.25","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0708","0.0679","","","0.1871","0.1907","","","","","","1.08","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565378","6.5698","0.0007","16.562","0.002","16.941","0.003","90","","93.51","0.012","90","","1839.9","0.4","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10.42 Cl5.58 N2 O S -","- C16 H10.417 Cl5.583 N2 O S -","- C64 H41.668 Cl22.332 N8 O4 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1319","0.1055","","","0.2644","0.2818","","","","","","1.145","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565379","9.5753","0.0004","9.8718","0.0004","20.099","0.0007","90","","94.444","0.003","90","","1894.16","0.13","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl7 Ga N2 S -","- C13 H6 Cl7 Ga N2 S -","- C52 H24 Cl28 Ga4 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0617","0.0617","","","0.1632","0.1632","","","","","","1.135","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565380","7.0073","0.0005","9.6628","0.0006","12.0172","0.0007","95.257","0.005","106.738","0.006","101.231","0.006","754.78","0.09","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0408","0.0387","","","0.1048","0.1073","","","","","","1.028","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565381","8.1354","0.0002","9.2414","0.0002","12.9459","0.0006","90.608","0.003","101.838","0.003","105.699","0.002","914.81","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl6 N3 S -","- C14 H11 Cl6 N3 S -","- C28 H22 Cl12 N6 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1028","0.1019","","","0.2915","0.2917","","","","","","1.209","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565382","7.4291","0.0004","18.6148","0.0009","9.0438","0.0005","90","","107.796","0.006","90","","1190.83","0.12","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5.84 Cl2.16 N3 S -","- C12 H5.835 Cl2.165 N3 S -","- C48 H23.34 Cl8.66 N12 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0468","0.0467","","","0.1182","0.1183","","","","","","1.095","","","","has coordinates,has disorder","272564","2022-02-04","19:08:15",""
"1565383","16.7712","0.0003","13.1359","0.0002","13.0495","0.0002","90","","90","","90","","2874.87","0.08","100","0.7","100","0.7","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13.5 H7 Cl4 N2 S -","- C13.5 H7 Cl4 N2 S -","- C108 H56 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0638","0.0615","","","0.1453","0.1454","","","","","","1.237","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565384","9.0246","0.0003","13.7857","0.0005","12.0756","0.0004","90","","98.513","0.003","90","","1485.78","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C56 H32 Cl16 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0769","0.0766","","","0.2049","0.2058","","","","","","1.093","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565385","14.2979","0.0004","14.0607","0.0003","16.3174","0.0004","90","","90","","90","","3280.43","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl4 N2 S -","- C16 H12 Cl4 N2 S -","- C128 H96 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.04","0.0399","","","0.0977","0.0977","","","","","","1.108","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565406","7.9231","0.0004","13.8107","0.0006","17.1406","0.0008","90","","102.171","0.005","90","","1833.43","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn-4py-ligand","","- C88 H56 N16 O20 Zn4 -","- C88 H52 N16 O20 Zn4 -","- C88 H52 N16 O20 Zn4 -","1","0.25","","Su, Boya; Liao, Shengyun; Zhu, Haitao; Ge, Shuxian; Liu, Yan; Wang, Jingyao; Chen, Hui; Wang, Lidong","Fabrication of a 2D metal-organic framework (MOF) nanosheet colloidal system and investigation of its fluorescence response to pesticide molecules.","Analytical methods : advancing methods and applications","2021","13","47","5700","5710","10.1039/d1ay01837j","","x-ray","0.71073","MoKα","","0.0728","0.0403","","","0.1035","0.1328","","","","","","0.777","","","","has coordinates","271825","2022-01-06","20:39:17",""
"1565407","23.603","0.002","6.0263","0.0007","10.4104","0.0012","90","","90","","90","","1480.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N,N-dimethyl-1-(naphthalen-2-yl)-1-phenylethan-1-amine","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke","Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.","Chemical science","2021","13","1","99","104","10.1039/d1sc05876b","","","1.54178","CuKα","","0.0465","0.0453","","","0.1222","0.1237","","","","","","1.043","","","","has coordinates","272566","2022-02-04","19:08:39",""
"1565565","9.4035","0.0001","10.6249","0.0001","9.5173","0.0001","90","","95.379","0.001","90","","946.698","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O -","- C22 H17 F3 N2 O -","- C44 H34 F6 N4 O2 -","2","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0767","0.0771","","","","","","1.072","","","","has coordinates","276603","2022-07-06","07:59:32",""
"1565566","10.1505","0.0002","19.0261","0.0009","11.5778","0.0004","90","","90","","90","","2235.96","0.14","300.28","0.15","300.28","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Br F3 N2 -","- C27 H18 Br F3 N2 -","- C108 H72 Br4 F12 N8 -","4","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0832","0.0748","","","0.2167","0.2233","","","","","","1.111","","","","has coordinates","276603","2022-07-06","07:59:35",""
"1565567","10.311","0.0002","12.3464","0.0002","34.9989","0.0007","90","","90","","90","","4455.49","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F4 N2 O -","- C25 H22 F4 N2 O -","- C200 H176 F32 N16 O8 -","8","2","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0718","0.0517","","","0.12","0.1343","","","","","","1.051","","","","has coordinates","276603","2022-07-06","07:59:46",""
"1565568","11.6074","0.0009","8.5215","0.0007","15.0981","0.0012","90","","90","","90","","1493.4","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F4 I3 K3 O12 V2 -","- F4 I3 K3 O12 V2 -","- F16 I12 K12 O48 V8 -","4","0.5","","Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao","K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations","Chemical Science","2022","13","2","454","460","10.1039/D1SC06026K","","","0.71073","MoKα","","0.0286","0.0272","","","0.0655","0.0664","","","","","","1.022","","","","has coordinates","272584","2022-02-04","19:13:32",""
"1565569","10.2936","0.0004","11.0038","0.0005","13.3415","0.0005","98.452","0.002","102.852","0.002","96.092","0.002","1442.14","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Carbonyl-chlorido-η2-C,C?-ethinylethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C24 H36 B Cl3 N6 O2 W -","- C24 H36 B Cl3 N6 O2 W -","- C48 H72 B2 Cl6 N12 O4 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0644","0.0462","","","0.0916","0.0987","","","","","","1.09","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565570","9.9415","0.0005","11.0539","0.0006","17.5643","0.0009","98.146","0.002","97.68","0.002","105.73","0.002","1808.92","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.5 H43 B Cl3 N7 O4 W -","- C31 H40 B N7 O4 W -","- C62 H80 B2 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0463","0.0339","","","0.0641","0.0666","","","","","","1.05","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565571","10.2497","0.0009","11.3925","0.0009","16.0476","0.0013","105.219","0.003","96.074","0.003","93.672","0.003","1789.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-methoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.84 H43.68 B Cl1.68 N7 O4 W -","- C32.841 H43.682 B Cl1.682 N7 O4 W -","- C65.682 H87.364 B2 Cl3.364 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0763","0.0837","","","","","","1.027","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565572","9.8806","0.0004","22.4324","0.0008","17.6641","0.0007","90","","105.658","0.002","90","","3769.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-ethoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C33.62 H45.25 B Cl1.25 N7 O4 W -","- C33 H44 B N7 O4 W -","- C132 H176 B4 N28 O16 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0439","0.0365","","","0.0722","0.074","","","","","","1.242","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565573","9.7834","0.0006","11.173","0.0007","11.3156","0.0007","64.197","0.003","72.129","0.003","88.96","0.003","1050.19","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","[Di(carbonyl)-hydridotris(3,5-dimethylpyrazolyl)borato-η1-ketenyl-tungsten(II)]","","- C19 H23 B N6 O3 W -","- C19 H23 B N6 O3 W -","- C38 H46 B2 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0247","0.0224","","","0.0551","0.0564","","","","","","1.074","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565574","10.3289","0.0005","11.4973","0.0005","13.0257","0.0006","98.414","0.001","113.051","0.001","92.169","0.001","1400.32","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-η2-C,C?-ethinylmethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]-tetrafluoroborate","","- C23 H32 B2 F4 N6 O3 W -","- C23 H32 B2 F4 N6 O3 W -","- C46 H64 B4 F8 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0265","0.0224","","","0.0534","0.056","","","","","","1.112","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565575","11.4957","0.0014","22.605","0.003","14.7243","0.0017","90","","99.238","0.002","90","","3776.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-diethyamino-prop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C37 H53 B N8 O3 W -","- C37 H53 B N8 O3 W -","- C148 H212 B4 N32 O12 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0355","0.0241","","","0.053","0.057","","","","","","1.047","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565576","15.3547","0.001","15.392","0.001","17.9913","0.0012","82.881","0.002","89.831","0.002","62.331","0.002","3729.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis[di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]anhydride","","- C65 H84 B2 Cl6 N14 O7 W2 -","- C62 H78 B2 N14 O7 W2 -","- C124 H156 B4 N28 O14 W4 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0787","0.0427","","","0.0801","0.0868","","","","","","1.07","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565577","9.6587","0.0001","11.5335","0.0001","12.4216","0.0001","114.357","0.001","102.222","0.001","94.593","0.001","1210.05","0.02","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O3 -","- C30 H21 N3 O3 -","- C60 H42 N6 O6 -","2","1","","Lin, Wei; Zhao, Qun; Li, Yao; Pan, Ming; Yang, Chen; Yang, Guo-Hui; Li, Xin","Asymmetric synthesis of N-N axially chiral compounds <i>via</i> organocatalytic atroposelective <i>N</i>-acylation.","Chemical science","2021","13","1","141","148","10.1039/d1sc05360d","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1222","0.124","","","","","","1.058","","","","has coordinates","272567","2022-02-04","19:08:49",""
"1565578","8.7349","0.0003","18.3308","0.0005","14.1743","0.0005","90","","94.763","0.003","90","","2261.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N3 O P -","- C27 H20 N3 O P -","- C108 H80 N12 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.073","0.0522","","","0.1553","0.1737","","","","","","1.099","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1565579","18.7793","0.0007","8.0735","0.0002","26.4549","0.0011","90","","122.492","0.003","90","","3383.1","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl2 N5 O P -","- C40 H28 Cl2 N5 O P -","- C160 H112 Cl8 N20 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.0773","0.05","","","0.1144","0.1299","","","","","","1.015","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565580","8.265","0.005","23.677","0.005","26.571","0.005","90","0.005","90","0.005","90","0.005","5200","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H23 N4 O P -","- C33 H23 N4 O P -","- C264 H184 N32 O8 P8 -","8","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71069","MoKα","","0.1622","0.0721","","","0.1657","0.2307","","","","","","1.024","","","","has coordinates","272563","2022-02-04","19:05:34",""
"1565590","11.04668","0.00008","5.51936","0.00005","14.34857","0.0001","90","","101.385","0.0007","90","","857.627","0.012","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br Cl F2 N O2 -","- C18 H15 Br Cl F2 N O2 -","- C36 H30 Br2 Cl2 F4 N2 O4 -","2","1","","Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong","Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides","Chemical Science","2022","13","5","1398","1407","10.1039/D1SC04595D","","x-ray","1.54184","CuKα","","0.0176","0.0176","","","0.0465","0.0466","","","","","","1.047","","","","has coordinates","272574","2022-02-04","19:11:21",""
"1565601","11.3563","0.0005","16.7472","0.0006","12.6545","0.0006","90","","101.483","0.004","90","","2358.54","0.18","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C108 H116 N12 O16 -","4","1","","Kuhn, Ariel J.; Ehlke, Beatriz; Johnstone, Timothy C.; Oliver, Scott R. J.; Raskatov, Jevgenij A.","A crystal-structural study of Pauling–Corey rippled sheets","Chemical Science","2022","13","3","671","680","10.1039/D1SC05731F","","x-ray","1.54184","CuKα","","0.0554","0.0443","","","0.1122","0.1181","","","","","","1.036","","","","has coordinates","272588","2022-02-04","19:14:09",""
"1565602","14.2639","0.0006","14.5005","0.0004","20.4969","0.0007","105.307","0.003","109.588","0.004","90.479","0.003","3830.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C40 H52 O2 S2 Si2 -","- C40 H52 O2 S2 Si2 -","- C160 H208 O8 S8 Si8 -","4","2","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0468","0.0408","","","0.109","0.1148","","","","","","1.048","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565603","39.5034","0.0004","9.2352","0.0001","23.1512","0.0003","90","","96.916","0.001","90","","8384.61","0.17","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C42 H52 S5 Si2 -","- C42 H52 S5 Si2 -","- C336 H416 S40 Si16 -","8","1","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0372","0.0343","","","0.0965","0.0988","","","","","","1.075","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565604","8.8605","0.0001","21.1565","0.0004","7.8415","0.0001","90","","93.025","0.001","90","","1467.9","0.04","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","","1.54184","CuKα","","0.0413","0.0379","","","0.1027","0.1054","","","","","","1.059","","","","has coordinates","272585","2022-02-04","19:13:43",""
"1565605","7.9559","0.0001","6.808","0.0001","30.863","0.0002","90","","91.251","0.001","90","","1671.26","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0646","0.0655","","","","","","1.125","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565606","9.4212","0.0001","10.7629","0.0001","18.7421","0.0002","94.939","0.001","96.779","0.001","110.576","0.001","1750.05","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","2","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0446","0.0428","","","0.1063","0.1081","","","","","","1.055","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565661","8.6416","0.0009","6.2775","0.0006","10.9475","0.0012","90","","96.634","0.004","90","","589.9","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","VRT-2433340","","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","","Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P.","Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes.","Chemical science","2021","13","1","236","240","10.1039/d1sc06035j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0229","","","0.0634","0.0639","","","","","","1.098","","","","has coordinates","272560","2022-02-04","19:05:01",""
"1565662","7.4686","0.0005","26.405","0.002","19.52","0.0011","90","","97.925","0.005","90","","3812.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B Ce O2 Si2 -","- C34 H68 B Ce O2 Si2 -","- C136 H272 B4 Ce4 O8 Si8 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0441","0.0346","","","0.0866","0.0898","","","","","","0.977","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565663","15.8956","0.0003","24.908","0.0005","8.4943","0.0007","90","","90","","90","","3363.1","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H60 B Er O Si2 -","- C30 H60 B Er O Si2 -","- C120 H240 B4 Er4 O4 Si8 -","4","0.5","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.0591","0.0599","","","","","","0.991","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565664","7.5051","0.0003","26.3267","0.0009","19.4417","0.0008","90","","98.004","0.003","90","","3804","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B O2 Si2 Sm -","- C34 H68 B O2 Si2 Sm -","- C136 H272 B4 O8 Si8 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0622","0.051","","","0.1335","0.138","","","","","","1.021","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565665","13.3164","0.0004","13.319","0.0003","16.7792","0.0006","90","","97.425","0.003","90","","2951.02","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Er Li O Pb Si4 -","- C58 H96 Er Li O Pb Si4 -","- C116 H192 Er2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0495","0.0358","","","0.0642","0.0677","","","","","","0.949","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565666","13.5678","0.0008","13.7727","0.0005","35.796","0.002","90","","93.725","0.005","90","","6674.9","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H104 Li O Pb Si4 Sm -","- C65 H104 Li O Pb Si4 Sm -","- C260 H416 Li4 O4 Pb4 Si16 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0728","0.0746","","","","","","0.997","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565667","22.0069","0.0007","16.3287","0.0004","22.8084","0.0007","90","","113.88","0.002","90","","7494.4","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H126.8 Er Li O4 Pb Si4 -","- C70 H126.8 Er Li O4 Pb Si4 -","- C280 H507.2 Er4 Li4 O16 Pb4 Si16 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0636","0.0456","","","0.1128","0.1214","","","","","","1.014","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565668","13.4211","0.0002","13.6559","0.0002","16.7671","0.0003","90","","97.576","0.001","90","","3046.2","0.08","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Ce Li O Pb Si4 -","- C58 H96 Ce Li O Pb Si4 -","- C116 H192 Ce2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","1.34143","GaKα","","0.0324","0.0307","","","0.0778","0.0795","","","","","","1.117","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565669","13.1318","0.001","13.3996","0.0016","24.0543","0.0014","90.114","0.007","99.276","0.005","109.783","0.008","3923.4","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H124 Er Li O8 Pb Si4 -","- C70 H120 Er Li O8 Pb Si4 -","- C140 H240 Er2 Li2 O16 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0397","0.0269","","","0.0576","0.0608","","","","","","1.043","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565670","13.4752","0.0003","13.6204","0.0002","16.909","0.0004","90","","99.42","0.002","90","","3061.59","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H97 La Li O Pb Si4 -","- C58 H97 La Li O Pb Si4 -","- C116 H194 La2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0591","0.049","","","0.1169","0.1242","","","","","","1.035","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565671","14.194","0.004","10.712","0.003","15.769","0.004","90","","102.51","0.004","90","","2340.7","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl2 Fe N3 O12 -","- C16 H25 Cl2 Fe N3 O12 -","- C64 H100 Cl8 Fe4 N12 O48 -","4","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0539","0.0359","","","0.0768","0.0864","","","","","","1.017","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565672","15.9079","0.0012","17.3412","0.0013","16.1343","0.0012","90","","90.724","0.001","90","","4450.5","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl4 Fe2 N6 O23 -","- C32 H46 Cl4 Fe2 N6 O23 -","- C128 H184 Cl16 Fe8 N24 O92 -","4","0.5","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0325","0.0298","","","0.0796","0.0817","","","","","","1.082","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565673","14.289","0.004","8.933","0.002","28.022","0.007","90","","90","","90","","3576.8","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Mn N3 O2 -","- C16 H21 Cl2 Mn N3 O2 -","- C128 H168 Cl16 Mn8 N24 O16 -","8","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.045","0.0404","","","0.1025","0.1052","","","","","","1.097","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565674","7.5343","0.0001","17.2112","0.0001","11.5465","0.0001","90","","95.379","0.001","90","","1490.69","0.03","123","0.1","123","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard","Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide.","Chemical science","2021","13","1","241","246","10.1039/d1sc06403g","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0813","0.0822","","","","","","1.037","","","","has coordinates","272565","2022-02-04","19:08:30",""
"1565715","18.4424","0.0011","17.3145","0.0011","7.318","0.0005","90","","93.009","0.002","90","","2333.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Shang, Qian; Tang, Haifang; Liu, Yongping; Yin, MingMing; Su, Lebin; Xie, Shimin; Liu, Lixin; Yang, Wen; Chen, Yi; Dong, Jianyu; Zhou, Yongbo; Yin, Shuang-Feng","Cu(i) catalysis for selective condensation/bicycloaromatization of two different arylalkynes: direct and general construction of functionalized C-N axial biaryl compounds.","Chemical science","2021","13","1","263","273","10.1039/d1sc03865f","","","0.71073","MoKα","","0.0422","0.0393","","","0.1025","0.1048","","","","","","1.085","","","","has coordinates","272568","2022-02-04","19:08:58",""
"1565716","3.8839","0.0015","15.124","0.005","21.523","0.009","90","","93.662","0.018","90","","1261.7","0.8","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(S)-1,3-Benzothiazol-2-yl-O-phenylthiocarbonate","","- C14 H9 N O2 S2 -","- C14 H9 N O2 S2 -","- C56 H36 N4 O8 S8 -","4","1","","Wang, Siqi; Chen, Wanli; Ling, Jun","PiPo: random copolymers of C- with N-substituted glycines","Polymer Chemistry","2022","13","3","383","387","10.1039/D1PY01456K","","","0.71073","MoKα","","0.0318","0.0274","","","0.0657","0.0686","","","","","","1.062","","","","has coordinates","272789","2022-02-04","20:04:53",""
"1565762","9.757","0.005","17.585","0.01","17.518","0.009","90","","90.187","0.008","90","","3006","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al F28 O3 Si -","- C18 H15 Al F28 O3 Si -","- C72 H60 Al4 F112 O12 Si4 -","4","1","","Barthélemy, Antoine; Glootz, Kim; Scherer, Harald; Hanske, Annaleah; Krossing, Ingo","Ga±catalyzed hydrosilylation? About the surprising system Ga+/HSiR3/olefin, proof of oxidation with subvalent Ga+ and silylium catalysis with perfluoroalkoxyaluminate anions","Chemical Science","2022","13","2","439","453","10.1039/D1SC05331K","","x-ray","0.71073","MoKα","","0.0524","0.0366","","","0.0919","0.1017","","","","","","1.034","","","","has coordinates,has disorder","272587","2022-02-04","19:14:03",""
"1565763","8.4425","0.0004","10.2492","0.0003","19.6013","0.0008","90","","90","","90","","1696.08","0.12","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","","Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi","Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety","Polymer Chemistry","2022","13","2","267","274","10.1039/D1PY01230D","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0624","0.063","","","","","","1.072","","","","has coordinates","272788","2022-02-04","20:04:48",""
"1565790","15.07667","0.00012","18.20509","0.00011","36.5229","0.0003","90","","94.8279","0.0008","90","","9988.95","0.13","139.99","0.11","139.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 K Nd O6 Si4 -","- C80 H76 K Nd O6 Si4 -","- C320 H304 K4 Nd4 O24 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0435","0.0415","","","0.1228","0.1248","","","","","","1.024","","","","has coordinates,has disorder","272592","2022-02-04","19:15:40",""
"1565791","16.445","0.0004","23.0841","0.0007","21.7459","0.0006","90","","95.923","0.002","90","","8211.1","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 O7 Si4 Tb -","- C84 H84 O7 Si4 Tb -","- C336 H336 O28 Si16 Tb4 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0699","0.0426","","","0.0904","0.0988","","","","","","0.924","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565792","14.39059","0.00014","21.1314","0.0002","28.0674","0.0003","90","","91.3627","0.0009","90","","8532.69","0.15","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H78 N O5 P Pr Si4 -","- C92 H78 N O5 P Pr Si4 -","- C368 H312 N4 O20 P4 Pr4 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0494","0.0395","","","0.0942","0.0984","","","","","","1.048","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565793","16.5246","0.0006","23.1693","0.0009","21.7608","0.0008","90","","95.951","0.004","90","","8286.5","0.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Ce O7 Si4 -","- C84 H84 Ce O7 Si4 -","- C336 H336 Ce4 O28 Si16 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0887","0.0626","","","0.147","0.1656","","","","","","0.987","","","","has coordinates","272592","2022-02-04","19:15:41",""
"1565794","15.5527","0.0009","26.7995","0.0012","38.849","0.002","90","","90","","90","","16192.4","1.4","140","0.1","140","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C94 H92 Ce K O6 Si4 -","- C94 H92 Ce K O6 Si4 -","- C752 H736 Ce8 K8 O48 Si32 -","8","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.153","0.0679","","","0.1426","0.1858","","","","","","0.98","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565795","13.4724","0.0004","28.4527","0.0009","22.4563","0.0008","90","","100.959","0.003","90","","8451.1","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 Gd K O7 Si4 -","- C84 H84 Gd K O7 Si4 -","- C336 H336 Gd4 K4 O28 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.097","0.0531","","","0.1207","0.1413","","","","","","0.948","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565796","19.0352","0.0002","23.9418","0.0002","22.3713","0.0003","90","","92.2121","0.001","90","","10187.8","0.19","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H99 K2 Nd O5 Si5 -","- C111 H99 K2 Nd O5 Si5 -","- C444 H396 K8 Nd4 O20 Si20 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0624","0.0509","","","0.1262","0.1346","","","","","","1.052","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565814","31.1312","0.0004","31.1312","0.0004","15.5307","0.0003","90","","90","","120","","13035.1","0.3","173","2","173","","","","","","","","","6","P -3","-P 3","147","","","","- C77 H81.33 Cl4.17 Co2 N8 O1.67 -","- C77 H81.3332 Cl4.16667 Co2 N8 O1.66667 -","- C462 H487.999 Cl25 Co12 N48 O10 -","6","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0803","0.0605","","","0.1669","0.182","","","","","","1.028","","","","has coordinates","272591","2022-02-04","19:14:56",""
"1565815","28.535","0.006","13.861","0.003","20.682","0.004","90","","101.36","0.03","90","","8020","3","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H92 Cl8 N8 O3 Zn2 -","- C81 H92 Cl8 N8 O3 Zn2 -","- C324 H368 Cl32 N32 O12 Zn8 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","0.71073","MoKα","","0.105","0.0931","","","0.2829","0.3013","","","","","","1.081","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565816","28.3373","0.0006","14.5574","0.0003","20.3283","0.0005","90","","100.895","0.001","90","","8234.6","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Cl4 Co2 N8 -","- C77 H80 Cl4 Co2 N8 -","- C308 H320 Cl16 Co8 N32 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0717","0.0583","","","0.1701","0.181","","","","","","1.06","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565817","11.694","0.0004","20.7153","0.0006","27.718","0.0009","68.59","0.001","89.019","0.002","82.809","0.002","6199","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C152 H152 N16 Pd4 -","- C152 H152 N16 Pd4 -","- C304 H304 N32 Pd8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0578","0.0521","","","0.1414","0.1471","","","","","","1.043","","","","has coordinates,has disorder","272591","2022-02-04","19:14:57",""
"1565818","26.2135","0.0015","48.489","0.003","7.7284","0.0005","90","","90","","90","","9823.3","1","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H24 B F4 N -","- C16 H24 B F4 N -","- C384 H576 B24 F96 N24 -","24","3","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0622","0.058","","","0.1544","0.158","","","","","","1.036","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565819","6.0869","0.0003","17.6346","0.0009","17.8806","0.0009","90","","92.23","0.003","90","","1917.85","0.17","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","2","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0778","0.068","","","0.1896","0.207","","","","","","1.103","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565820","9.1824","0.001","17.1893","0.0015","16.2826","0.0015","90","","99.542","0.004","90","","2534.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F6 O6 S4 -","- C24 H20 F6 O6 S4 -","- C96 H80 F24 O24 S16 -","4","1","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0373","0.0356","","","0.0933","0.0947","","","","","","1.047","","","","has coordinates","272583","2022-02-04","19:13:25",""
"1565821","14.3788","0.0008","7.5241","0.0005","35.493","0.002","90","","90","","90","","3839.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cis-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C184 H160 I8 N8 O16 -","8","1","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0403","0.0359","","","0.0715","0.0738","","","","","","1.155","","","","has coordinates,has disorder","272579","2022-02-04","19:12:40",""
"1565822","8.7754","0.0005","8.8984","0.0006","12.8772","0.0008","99.2233","0.0018","96.0361","0.0018","91.197","0.0017","986.31","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Trans-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C46 H40 I2 N2 O4 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0217","0.0194","","","0.0399","0.0408","","","","","","1.059","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565823","6.3151","0.0004","11.198","0.0007","17.7567","0.001","85.4422","0.0016","85.449","0.0017","86.8128","0.0017","1246.24","0.13","90","2","90","2","","","","","","","","4","P 1","P 1","1","","1-hydroxy-N-(4-((2R,3S)-2-methyl-2-phenyl-2,3-dihydrobenzofurna-3-yl)benzyl)-2-napthamide","","- C33 H27 N O3 -","- C33 H27 N O3 -","- C66 H54 N2 O6 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","1.54178","CuKα","","0.029","0.0289","","","0.0778","0.0778","","","","","","1.013","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565833","6.29835","0.00009","10.64131","0.00014","7.53892","0.00011","90","","103.504","0.0014","90","","491.31","0.012","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","","1.54184","CuKα","","0.0217","0.0217","","","0.0586","0.0587","","","","","","1.097","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565834","6.3879","0.0002","10.8484","0.0003","7.6137","0.0003","90","","103.203","0.003","90","","513.67","0.03","373.01","0.11","373.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","x-ray","1.54184","CuKα","","0.0584","0.0544","","","0.2882","0.2892","","","","","","1.416","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565835","17.1728","0.0006","17.1728","0.0006","17.1728","0.0006","90","","90","","90","","5064.3","0.3","119.5","0.8","119.5","0.8","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C10 H11 Fe N4 -","- C10 H11 Fe N4 -","- C120 H132 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0745","0.0538","","","0.1108","0.1187","","","","","","1.041","","","","has coordinates,has disorder","272597","2022-02-04","19:16:56",""
"1565836","17.317","0.0001","17.317","0.0001","17.317","0.0001","90","","90","","90","","5193","0.05","120","0.1","120","0.1","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C12 H14 Fe N4 -","- C12 H14.0004 Fe N4 -","- C144 H168.005 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0482","0.0317","","","0.0908","0.098","","","","","","1.008","","","","has coordinates,has disorder","272597","2022-02-04","19:16:58",""
"1565837","17.6742","0.0003","17.6742","0.0003","11.6231","0.0003","90","","90","","120","","3144.36","0.11","170","2","170","2","","","","","","","","3","P 61","P 61","169","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C150 H120 O24 -","6","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0429","0.0383","","","0.1018","0.1046","","","","","","1.089","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565838","6.5263","0.0001","13.9032","0.0003","21.5712","0.0004","90","","90","","90","","1957.29","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0303","0.0282","","","0.0732","0.0752","","","","","","1.127","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565840","23.376","0.002","10.6352","0.0009","20.2506","0.0019","90","","106.848","0.004","90","","4818.4","0.7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","21011","","","- C22 H19 Cl5 N2 Zn -","- C22 H19 Cl5 N2 Zn -","- C176 H152 Cl40 N16 Zn8 -","8","2","","Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A.","α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos","Chemical Science","2022","13","5","1469","1477","10.1039/D1SC06111A","","","0.71073","MoKα","","0.1196","0.0687","","","0.1758","0.2124","","","","","","1.053","","","","has coordinates,has disorder","272576","2022-02-04","19:11:43",""
"1565841","10.2028","0.0002","20.5606","0.0004","27.5955","0.0006","90","","94.989","0.001","90","","5766.9","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 Eu N7 O15 -","- C51 H46 Eu N7 O15 -","- C204 H184 Eu4 N28 O60 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0332","0.0262","","","0.0771","0.0812","","","","","","1.042","","","","has coordinates","273435","2022-03-04","22:27:09",""
"1565842","10.1478","0.0004","20.3871","0.0009","27.1677","0.0014","90","","95.103","0.002","90","","5598.3","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 Gd N7 O15 -","- C51 H46 Gd N7 O15 -","- C204 H184 Gd4 N28 O60 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0393","0.0285","","","0.0602","0.0646","","","","","","1.018","","","","has coordinates","273435","2022-03-04","22:27:12",""
"1565843","10.184","0.0002","20.5165","0.0005","27.539","0.0007","90","","95.052","0.001","90","","5731.6","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 N7 O15 Tb -","- C51 H46 N7 O15 Tb -","- C204 H184 N28 O60 Tb4 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0565","0.0352","","","0.0806","0.09","","","","","","1.046","","","","has coordinates","273435","2022-03-04","22:27:12",""
"1565906","32.9756","0.0004","9.2126","0.0001","13.7861","0.0002","90","","101.232","0.001","90","","4107.88","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0365","0.0335","","","0.0852","0.0884","","","","","","1.035","","","","has coordinates","272596","2022-02-04","19:16:34",""
"1565907","5.7626","0.0001","21.7654","0.0003","36.032","0.0005","90","","91.845","0.001","90","","4516.98","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C216 H216 N8 O24 -","8","2","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0497","0.046","","","0.1235","0.1271","","","","","","1.034","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565908","9.4239","0.0001","10.0699","0.0001","11.235","0.0001","90","","103.712","0.001","90","","1035.79","0.018","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei","Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis","Chemical Science","2022","13","4","1088","1094","10.1039/D1SC06613G","","x-ray","1.54184","CuKα","","0.0342","0.0331","","","0.0878","0.0884","","","","","","1.094","","","","has coordinates,has disorder","272581","2022-02-04","19:13:02",""
"1565909","8.0916","0.0006","6.0738","0.0005","12.9097","0.001","90","","105.671","0.007","90","","610.89","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H9 Br F N3 O -","- C12 H9 Br F N3 O -","- C24 H18 Br2 F2 N6 O2 -","2","1","","Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro","Ring-opening fluorination of bicyclic azaarenes","Chemical Science","2022","13","3","665","670","10.1039/D1SC06273E","","","1.5418","CuKα","","0.0324","0.0323","","","0.0846","0.0847","","","","","","1.148","","","","has coordinates","272595","2022-02-04","19:16:24",""
"1565910","8.8242","0.0003","7.5306","0.0002","19.3128","0.0006","90","","96.98","0.001","90","","1273.85","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0378","0.0328","","","0.0812","0.0851","","","","","","1.044","","","","has coordinates","272572","2022-02-04","19:11:05",""
"1565911","6.8237","0.0002","21.9249","0.0006","8.5663","0.0002","90","","96.654","0.001","90","","1272.96","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0467","0.0376","","","0.0936","0.1011","","","","","","1.024","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565912","11.917","0.0003","7.3388","0.0002","20.1019","0.0005","90","","92.932","0.001","90","","1755.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0543","0.0462","","","0.1176","0.126","","","","","","1.041","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565913","6.9435","0.0002","11.9044","0.0004","21.0418","0.0007","74.164","0.001","85.968","0.001","83.016","0.001","1659.59","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0527","0.039","","","0.0875","0.0967","","","","","","1.027","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565914","13.6939","0.0009","19.0018","0.0012","50.945","0.003","90","","90.412","0.004","90","","13256","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H128 Cl4 N12 O26 -","- C108 H128 Cl4 N12 O26 -","- C432 H512 Cl16 N48 O104 -","4","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2392","0.1224","","","0.3055","0.3812","","","","","","1.086","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565915","10.312","0.0012","20.687","0.002","26.395","0.003","74.272","0.007","81.268","0.008","78.693","0.008","5285.6","1","184","2","183.95","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H57 Cl2 N6 O11.5 -","- C49 H57 Cl2 N6 O11.5 -","- C196 H228 Cl8 N24 O46 -","4","2","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2236","0.1263","","","0.3271","0.4007","","","","","","1.036","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565916","9.22","0.02","19.51","0.05","20.82","0.05","62.99","0.05","86.96","0.06","78.01","0.05","3260","14","175","2","174.82","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 F12 N6 O7 P2 -","- C50 H52 F12 N6 O7 P2 -","- C100 H104 F24 N12 O14 P4 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.284","0.1221","","","0.3225","0.4298","","","","","","0.935","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565917","14.5032","0.0006","23.2785","0.001","23.8851","0.0011","107.441","0.003","93.266","0.003","104.627","0.003","7366.6","0.6","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 Cl2 N38 O25 -","- C102 H102 Cl2 N38 O25 -","- C204 H204 Cl4 N76 O50 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2159","0.1686","","","0.3688","0.3908","","","","","","1.159","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565922","9.0213","0.0001","12.4023","0.0002","32.9897","0.0006","90","","94.685","0.001","90","","3678.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 B Cl2 O2 -","- C49 H37 B Cl2 O2 -","- C196 H148 B4 Cl8 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.4137","Synchrotron","","0.0711","0.0681","","","0.1675","0.1695","","","","","","1.163","","","","has coordinates,has disorder","272570","2022-02-04","19:10:32",""
"1565923","9.1151","0.0002","12.6682","0.0002","21.4094","0.0004","89.252","0.002","84.01","0.002","84.665","0.002","2448.02","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 B Cl2 O2 Si2 -","- C63 H53 B Cl2 O2 Si2 -","- C126 H106 B2 Cl4 O4 Si4 -","2","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.0845","0.058","","","0.1497","0.1636","","","","","","1.033","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565924","18.5697","0.0008","12.0685","0.0004","16.8103","0.0007","90","","95.339","0.004","90","","3751","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H37 B O2 -","- C54 H37 B O2 -","- C216 H148 B4 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1407","0.0613","","","0.1231","0.1558","","","","","","1.008","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565925","12.1456","0.0004","15.8222","0.0005","35.8589","0.0012","90","","98.879","0.003","90","","6808.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 B O2 -","- C50 H35 B O2 -","- C400 H280 B8 O16 -","8","2","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1737","0.0666","","","0.1272","0.1682","","","","","","1.005","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565926","12.239","0.004","20.228","0.003","19.483","0.002","90","","99.971","0.01","90","","4750.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 Ni O9 P2 -","- C50 H59 Ni O9 P2 -","- C200 H236 Ni4 O36 P8 -","4","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0686","0.0651","","","0.1787","0.1818","","","","","","1.109","","","","has coordinates","272577","2022-02-04","19:11:54",""
"1565927","9.0475","0.0015","18.2763","0.0014","12.7484","0.0011","90","","105.437","0.009","90","","2032","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Ni O P2 -","- C45 H64 Ni O P2 -","- C90 H128 Ni2 O2 P4 -","2","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0363","0.035","","","0.0793","0.0801","","","","","","1.13","","","","has coordinates,has disorder","272577","2022-02-04","19:11:54",""
"1565972","22.958","0.0007","9.4271","0.0003","7.0146","0.0003","90","","90","","90","","1518.15","0.09","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H13 B Br N -","- C20 H13 B Br N -","- C80 H52 B4 Br4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.0544","0.0353","","","0.0624","0.0679","","","","","","1.035","","","","has coordinates","272580","2022-02-04","19:12:53",""
"1565973","6.6409","0.0002","12.0504","0.0004","15.9138","0.0006","78.061","0.003","78.902","0.003","79.901","0.003","1210.42","0.07","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 B N -","- C33 H26 B N -","- C66 H52 B2 N2 -","2","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","1.54184","CuKα","","0.0683","0.0571","","","0.1596","0.166","","","","","","1.053","","","","has coordinates,has disorder","272580","2022-02-04","19:12:55",""
"1565974","12.0461","0.0006","17.1985","0.0005","13.07","0.0006","90","","109.463","0.005","90","","2553","0.2","120.1","0.4","120.1","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B N -","- C34 H30 B N -","- C136 H120 B4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.1324","0.0623","","","0.1182","0.1424","","","","","","1.017","","","","has coordinates","272580","2022-02-04","19:12:55",""
"1565978","16.922","0.0015","17.1293","0.0018","27.104","0.003","90","","100.952","0.004","90","","7713.3","1.4","162","2","162","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","tetraepoxyoctabenzo[20]cyclacene-C60","","","- C214 H136 Cl4 O4 -","- C214 H136 Cl4 O4 -","- C428 H272 Cl8 O8 -","2","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.262","0.1808","","","0.4293","0.4849","","","","","","1.05","","","","has coordinates","273352","2022-03-04","22:07:32",""
"1565979","14.1531","0.0019","17.009","0.003","17.275","0.003","93.079","0.007","100.115","0.006","110.482","0.006","3805.1","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Octa(t-butyl)-tetraepoxyoctabenzo[20]cyclacene 5(C2H4Cl2) 2(CH2Cl2)","","","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","1","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.2505","0.1526","","","0.3946","0.4518","","","","","","1.365","","","","has coordinates","273352","2022-03-04","22:07:33",""
"1565980","10.0419","0.0005","15.6393","0.0007","42.1081","0.0019","92.477","0.002","91.364","0.002","91.427","0.002","6602.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H62 Ca4 F8 O19 -","- C108 H62 Ca4 F8 O19 -","- C216 H124 Ca8 F16 O38 -","2","1","","Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing","Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation","Chemical Science","2022","13","5","1375","1381","10.1039/D1SC05594A","","","0.7288","synchrotron","","0.0794","0.0597","","","0.1666","0.1759","","","","","","1.048","","","","has coordinates,has disorder","272573","2022-02-04","19:11:14",""
"1565992","23.4286","0.0004","23.4286","0.0004","24.2838","0.0005","90","","90","","90","","13329.4","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H199 K4 O99.5 P2 -","- C80 H107 K3 O99.5 P2 -","- C320 H428 K12 O398 P8 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0893","0.0826","","","0.2328","0.2433","","","","","","1.047","","","","has coordinates,has disorder","273345","2022-03-04","22:05:01",""
"1565993","23.5333","0.0018","23.5333","0.0018","24.406","0.003","90","","90","","90","","13516","2","150","","150","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C81 H195 K4 O96.5 P2 -","- C81 H101 K2.9999 O96.5012 P2.0006 -","- C324 H404 K11.9996 O386.005 P8.0024 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0906","0.087","","","0.245","0.2548","","","","","","1.21","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565994","22.944","0.003","13.9699","0.0015","44.772","0.005","90","","92.681","0.008","90","","14335","3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C168 H443 K8 O213.5 P4 -","- C166 H183 K O210.5 P3.5 -","- C332 H366 K2 O421 P7 -","2","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.1136","0.0947","","","0.2295","0.2503","","","","","","1.033","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565995","23.3244","0.001","23.3244","0.001","48.784","0.003","90","","90","","90","","26540","2","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C82 H201.75 K4 O98.88 P2 -","- C82 H102 K4.74985 O98.8333 P2 -","- C656 H816 K37.9988 O790.666 P16 -","8","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0882","0.0842","","","0.2352","0.2406","","","","","","1.042","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1566046","7.6588","0.0004","7.9714","0.0003","12.8907","0.0005","99.211","0.003","90.731","0.004","99.142","0.004","766.39","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0718","0.0487","","0.1129","0.0989","0.1129","","","","","","0.958","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566047","12.2921","0.0005","7.393","0.0003","15.8524","0.0005","90","","103.199","0.004","90","","1402.54","0.09","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0548","0.0385","","0.0962","0.0884","0.0962","","","","","","0.9736","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566048","23.8127","0.0009","5.6108","0.0002","24.8367","0.001","90","","90.39","0.003","90","","3318.3","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C152 H160 O24 S8 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0793","0.0494","","0.104","0.0937","0.104","","","","","","1.0006","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566049","11.6377","0.0004","19.035","0.0007","18.0198","0.0007","90","","107.936","0.004","90","","3797.8","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C160 H216 N8 O40 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0819","0.0508","","0.1517","0.1281","0.1517","","","","","","0.9801","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566079","39.352","0.005","14.1869","0.0016","22.175","0.002","90","","96.411","0.006","90","","12303","2","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dimer 5,6-membered palladacycle","","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C436 H520 Cl40 N96 O64 Pd32 -","8","1","","Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin","C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism","Chemical Science","2022","13","5","1298","1306","10.1039/D1SC06907A","","","0.71073","MoKα","","0.029","0.0242","","","0.0574","0.0596","","","","","","1.031","","","","has coordinates,has disorder","272571","2022-02-04","19:10:52",""
"1566110","8.9945","0.0004","9.6067","0.0003","15.7357","0.0008","90","","91.46","0.004","90","","1359.24","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 Cu F6 N5 Si -","- C6 H21 Cu F6 N5 Si -","- C24 H84 Cu4 F24 N20 Si4 -","4","1","","Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg","A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate","Arabian Journal of Chemistry","2020","13","1","3060","3069","10.1016/j.arabjc.2018.08.014","","","0.71073","MoKα","","0.1651","0.0706","","","0.0744","0.0893","","","","","","0.949","","","","has coordinates","272211","2022-01-24","09:10:35",""
"1566151","16.6843","0.0011","10.1022","0.0008","17.8126","0.001","90","","90","","90","","3002.3","0.4","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Br N3 -","- C29 H49 B Br N3 -","- C116 H196 B4 Br4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0412","0.0365","","","0.094","0.1008","","","","","","1.055","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566152","16.7035","0.001","10.08","0.0006","17.6907","0.0007","90","","90","","90","","2978.6","0.3","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Cl N3 -","- C29 H49 B Cl N3 -","- C116 H196 B4 Cl4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0746","0.0594","","","0.1394","0.1488","","","","","","1.028","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566153","18.3035","0.0004","18.6688","0.0005","41.8373","0.0008","90","","90","","90","","14296","0.6","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Al B Br3 N6 -","- C29 H49 Al B Br3 N6 -","- C464 H784 Al16 B16 Br48 N96 -","16","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0892","0.0688","","","0.1875","0.2106","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566154","9.5926","0.0002","18.3489","0.0005","22.4133","0.0007","109.017","0.003","98.006","0.002","96.256","0.002","3642.84","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H98 Al2 B2 Br8 N6 -","- C58 H98 Al2 B2 Br8 N6 -","- C116 H196 Al4 B4 Br16 N12 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0821","0.0619","","","0.171","0.19","","","","","","1.06","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566155","9.7709","0.0003","20.3965","0.0005","21.6332","0.0007","91.982","0.002","100.812","0.003","98.869","0.002","4175.2","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 Al B Br4 N3 -","- C35 H57 Al B Br4 N3 -","- C140 H228 Al4 B4 Br16 N12 -","4","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.071","0.052","","","0.1293","0.1452","","","","","","1.044","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566156","10.2658","0.0005","15.817","0.0009","15.9702","0.0011","65.411","0.006","78.295","0.005","80.201","0.004","2298.2","0.3","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Al B Br4 N3 -","- C41 H61 Al B Br4 N3 -","- C82 H122 Al2 B2 Br8 N6 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0653","0.0532","","","0.1246","0.1307","","","","","","1.053","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566157","11.9613","0.0004","13.4134","0.0006","15.2453","0.0006","109.98","0.004","104.192","0.003","102.755","0.003","2100.41","0.17","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H59 Al B Br4 N5 Si -","- C33 H59 Al B Br4 N5 Si -","- C66 H118 Al2 B2 Br8 N10 Si2 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0485","0.0397","","","0.109","0.1148","","","","","","1.049","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566158","11.781","0.00019","15.9628","0.0003","41.3531","0.0007","90","","93.4263","0.0016","90","","7762.9","0.2","173","2","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H52 Al B Br4 N4 -","- C31 H52 Al B Br4 N4 -","- C248 H416 Al8 B8 Br32 N32 -","8","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566159","12.64878","0.00013","21.8402","0.0002","19.4954","0.0002","90","","106.767","0.0011","90","","5156.68","0.09","173","0.1","173","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 Al B Br4 Cl3 N4 O -","- C41 H65 Al B Br4 Cl3 N4 O -","- C164 H260 Al4 B4 Br16 Cl12 N16 O4 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0649","0.0585","","","0.1555","0.1606","","","","","","1.035","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566160","14.3058","0.0005","14.4769","0.0005","14.7822","0.0005","82.612","0.003","72.27","0.003","89.201","0.003","2890.8","0.18","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H77 Al B Br4 N5 -","- C54 H77 Al B Br4 N5 -","- C108 H154 Al2 B2 Br8 N10 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0691","0.0457","","","0.1105","0.1185","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566188","5.862","0.003","7.712","0.004","14.907","0.008","90","","90","","90","","673.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh","Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer","Chemical Science","2022","13","8","2331","2338","10.1039/D1SC06755A","","","0.71073","MoKα","","0.0689","0.0471","","","0.1044","0.1155","","","","","","1.023","","","","has coordinates","273351","2022-03-04","22:07:06",""
"1566247","6.5937","0.0006","22.424","0.002","10.7128","0.0011","90","","97.951","0.003","90","","1568.7","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O5 S -","- C15 H17 N3 O5 S -","- C60 H68 N12 O20 S4 -","4","2","","Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten","Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid","Chemical Science","2022","13","8","2378","2384","10.1039/D2SC00113F","","x-ray","0.71073","MoKα","","0.0309","0.03","","","0.0789","0.0796","","","","","","1.06","","","","has coordinates","273347","2022-03-04","22:05:31",""
"1566266","7.5832","0.0001","15.8833","0.0001","10.5856","0.0001","90","","104.429","0.001","90","","1234.78","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 S -","- C25 H23 N3 O7 S -","- C50 H46 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.0962","0.0976","","","","","","0.822","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566267","7.2994","0.0002","8.0887","0.0003","21.2887","0.0008","91.614","0.003","94.807","0.002","100.145","0.002","1231.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O7 S -","- C25 H22 N3 O7 S -","- C50 H44 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0629","0.0584","","","0.1702","0.1764","","","","","","1.05","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566268","14.60983","0.00019","31.1413","0.0005","10.11618","0.00015","90","","91.553","0.0012","90","","4600.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C200 H192 N16 O40 S8 -","8","2","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0792","0.0591","","","0.2117","0.248","","","","","","0.954","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566274","11.3424","0.0002","25.8718","0.0006","11.9601","0.0003","90","","90","","90","","3509.67","0.13","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C192 H144 Fe8 O16 -","8","0.5","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0148","0.0138","","","0.0312","0.0317","","","","","","1.0697","","","","has coordinates","274966","2022-05-05","20:26:49",""
"1566275","13.1378","0.0003","16.3059","0.0003","19.0267","0.0003","97.399","0.002","93.732","0.002","113.532","0.002","3675.33","0.14","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H75 Cl9 Fe3 N6 O0.39 -","- C69 H75 Cl9 Fe3 N6 O0.391 -","- C138 H150 Cl18 Fe6 N12 O0.782 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","1.54184","CuKα","","0.0823","0.0611","","","0.166","0.1822","","","","","","1.085","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566276","16.0318","0.0003","17.0394","0.0002","21.0388","0.0004","102.395","0.001","99.882","0.002","91.283","0.001","5519.49","0.17","100.01","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H114 Cl18 Fe3 N6 -","- C113 H114 Cl18 Fe3 N6 -","- C226 H228 Cl36 Fe6 N12 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","0.71073","MoKα","","0.0844","0.0652","","","0.1848","0.201","","","","","","1.022","","","","has coordinates","274966","2022-05-05","20:26:50",""
"1566277","10.8575","0.0002","16.0366","0.0002","19.8722","0.0003","107.932","0.001","90.985","0.002","106.814","0.001","3129.76","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Fe3 N8 O0.5 -","- C75 H58 Fe3 N8 O0.5 -","- C150 H116 Fe6 N16 O -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0602","0.0414","","","0.1062","0.1178","","","","","","1.03","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566278","29.7978","0.0004","29.7978","0.0004","27.541","0.0019","90","","90","","90","","24453.9","1.7","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H120 F9 N62 Nd O57.5 S3 Zn16 -","- C185 H120 F3 N56 Nd O51.5 S Zn16 -","- C740 H480 F12 N224 Nd4 O206 S4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54184","CuKα","","0.0572","0.055","","","0.1902","0.1943","","","","","","1.05","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566279","30.0778","0.0004","30.0778","0.0004","26.9277","0.0019","90","","90","","90","","24360.8","1.8","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H124.5 F9 N56 O47 S3 Yb Zn16 -","- C185 H120 F3 N56 O44 S Yb Zn16 -","- C740 H480 F12 N224 O176 S4 Yb4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54178","CuKα","","0.0768","0.0687","","","0.2087","0.2193","","","","","","1.045","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566308","20.883","0.011","8.704","0.004","19.093","0.007","90","","123.59","0.03","90","","2891","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 B P S -","- C37 H32 B P S -","- C148 H128 B4 P4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0765","0.0526","","","0.1124","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274969","2022-05-05","20:28:30",""
"1566309","8.8","0.005","10.843","0.006","17.829","0.01","90","","99.74","0.02","90","","1676.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 B N S -","- C21 H16 B N S -","- C84 H64 B4 N4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0763","0.0691","","","0.1525","0.1551","","","","","","1.271","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566310","10.278","0.003","12.065","0.003","16.702","0.004","92.946","0.009","107.906","0.008","114.158","0.016","1760.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.25 H33.51 B2 N3 S2 -","- C44.252 H33.504 B2 N3 S2 -","- C88.504 H67.008 B4 N6 S4 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0504","0.0381","","","0.089","0.0965","","","","","","1.024","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566311","9.9577","0.0013","12.2845","0.0016","16.579","0.005","100.823","0.007","90.407","0.008","112.635","0.01","1831.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 B2 N3 S2 Si -","- C41 H37 B2 N3 S2 Si -","- C82 H74 B4 N6 S4 Si2 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0386","0.0312","","","0.0738","0.0779","","","","","","1.036","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566312","14.644","0.007","11.056","0.004","17.829","0.008","90","","94.9","0.02","90","","2876","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 B2 S2 -","- C36 H30 B2 S2 -","- C144 H120 B8 S8 -","4","0.5","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.1042","0.0585","","","0.1294","0.149","","","","","","1.038","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566313","11.4201","0.0001","17.9796","0.0001","12.1277","0.0001","90","","90.12","0.001","90","","2490.16","0.03","100","2","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 S2 -","- C32 H22 B2 S2 -","- C128 H88 B8 S8 -","4","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","1.54184","CuKα","","0.0305","0.0305","","","0.0819","0.0819","","","","","","1.022","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566314","13.289","0.006","30.28","0.016","7.763","0.005","90","","93.3","0.02","90","","3119","3","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S -","- C19 H17 B S -","- C152 H136 B8 S8 -","8","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0821","0.0602","","","0.1139","0.1211","","","","","","1.174","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566315","13.299","0.003","18.859","0.004","13.574","0.003","90","","112.808","0.01","90","","3138.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 B2 N4 O2 S2 -","- C38 H26 B2 N4 O2 S2 -","- C152 H104 B8 N16 O8 S8 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0875","0.0514","","","0.1197","0.1392","","","","","","1.062","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566316","6.327","0.0013","26.441","0.005","7.0232","0.0014","90","","95.01","0.03","90","","1170.4","0.4","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ArOH:ArFCHO","Phenol:Pentafluorobenzaldehyde","","- C13 H7 F5 O2 -","- C13 H7 F5 O2 -","- C52 H28 F20 O8 -","4","1","","Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth","Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals","Polymer Chemistry","2022","13","10","1359","1368","10.1039/D1PY01387D","","","0.71073","MoKα","","0.1479","0.0796","","","0.188","0.2305","","","","","","1.092","","","","has coordinates","275068","2022-05-05","20:55:48",""
"1566317","5.9872","0.0015","7.934","0.002","13.242","0.003","105.378","0.004","99.982","0.005","94.446","0.004","592.3","0.3","183","2","183.15","","","","","","","","","4","P -1","-P 1","2","ArCHO:ArFOH","Benzaldehyde:Pentafluorophenol","","- C13 H7 F5 O2 -","- C13 H7 F5 O2 -","- C26 H14 F10 O4 -","2","1","","Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth","Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals","Polymer Chemistry","2022","13","10","1359","1368","10.1039/D1PY01387D","","","0.71073","MoKα","","0.0497","0.0411","","","0.1227","0.136","","","","","","1.09","","","","has coordinates","275068","2022-05-05","20:55:49",""
"1566331","8.4222","0.0001","8.6086","0.0001","15.573","0.0002","90","","93.674","0.001","90","","1126.77","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng","Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules","Chemical Science","2022","13","8","2310","2316","10.1039/D1SC06757E","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0717","0.0723","","","","","","1.04","","","","has coordinates","273349","2022-03-04","22:06:18",""
"1566332","27.8416","0.0011","13.6571","0.0005","25.0139","0.0008","90","","92.128","0.003","90","","9504.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H146 Cr Mo6 N3 O32 -","- C68 H146 Cr Mo6 N3 O32 -","- C272 H584 Cr4 Mo24 N12 O128 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","","0.71073","MoKα","","0.1172","0.085","","","0.165","0.1847","","","","","","1.169","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566333","13.052","0.0012","13.4949","0.0009","20.5929","0.001","90","","104.803","0.008","90","","3506.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H55 N O13.5 V3 -","- C26 H55 N O13.5 V3 -","- C104 H220 N4 O54 V12 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","x-ray","0.71073","MoKα","","0.1287","0.0857","","","0.2097","0.246","","","","","","1.054","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566334","23.1838","0.0012","26.0619","0.0011","17.536","0.0007","90","","101.639","0.005","90","","10377.6","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.67 H59 B N2 Ni P2 -","- C34.6667 H59 B N2 Ni P2 -","- C416 H708 B12 N24 Ni12 P24 -","12","3","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.1464","0.0945","","","0.2577","0.3333","","","","","","1.026","","","","has coordinates","273350","2022-03-04","22:06:57",""
"1566335","9.5911","0.0005","9.8051","0.0006","19.1276","0.0007","90.444","0.004","94.813","0.004","117.164","0.005","1592.59","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 P2 Pd Si -","- C30 H50 P2 Pd Si -","- C60 H100 P4 Pd2 Si2 -","2","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0405","0.0314","","","0.0696","0.074","","","","","","1.03","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566336","10.5516","0.0006","11.9228","0.0009","13.7755","0.0012","103.985","0.007","111.062","0.007","90.654","0.005","1560","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","1","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.1188","0.0794","","","0.2006","0.2239","","","","","","1.041","","","","has coordinates,has disorder","273350","2022-03-04","22:06:58",""
"1566337","12.5308","0.0004","15.0351","0.0004","15.989","0.0005","90","","103.614","0.003","90","","2927.72","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O2 P2 Pd -","- C26 H47 B N2 O2 P2 Pd -","- C104 H188 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.0402","0.029","","","0.0605","0.0643","","","","","","1.067","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566338","26.0265","0.0008","26.0265","0.0008","26.0801","0.0008","90","","90","","120","","15299.3","0.8","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H52 B Cl N2 Ni P2 -","- C32 H52 B Cl N2 Ni P2 -","- C576 H936 B18 Cl18 N36 Ni18 P36 -","18","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0893","0.0658","","","0.1396","0.1546","","","","","","1.14","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566339","11.9139","0.0001","14.4308","0.0002","32.1655","0.0005","90","","90","","90","","5530.12","0.12","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 P2 Pd -","- C25 H47 B N2 P2 Pd -","- C200 H376 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0408","0.0364","","","0.0917","0.0946","","","","","","1.043","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566341","12.804","0.007","13.813","0.008","13.807","0.008","90","","95.465","0.008","90","","2431","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl2 F6 N3 P Rh -","- C22 H23 Cl2 F6 N3 P Rh -","- C88 H92 Cl8 F24 N12 P4 Rh4 -","4","1","","Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J.","Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands","Polymer Chemistry","2022","13","10","1411","1421","10.1039/D1PY01650D","","","0.71073","MoKα","","0.036","0.0305","","","0.0784","0.0812","","","","","","1.069","","","","has coordinates,has disorder","275067","2022-05-05","20:55:42",""
"1566346","12.5628","0.001","13.3264","0.0011","15.5838","0.0013","90","","106.231","0.002","90","","2505","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H77 B2 Na O6 -","- C52 H77 B2 Na O6 -","- C104 H154 B4 Na2 O12 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0847","0.0711","","","0.2001","0.2167","","","","","","1.048","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566347","13.312","0.0012","19.989","0.002","17.2387","0.0017","90","","96.574","0.003","90","","4556.9","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 B2 Cu N2 -","- C55 H65 B2 Cu N2 -","- C220 H260 B8 Cu4 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0674","0.0497","","","0.1254","0.1367","","","","","","1.032","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566348","13.3073","0.0013","20.5224","0.0019","17.1012","0.0015","90","","96.418","0.003","90","","4641","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 Ag B2 N2 -","- C55 H65 Ag B2 N2 -","- C220 H260 Ag4 B8 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0517","0.0465","","","0.1149","0.1187","","","","","","1.073","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566349","21.161","0.004","17.679","0.004","25.912","0.005","90","","90","","90","","9694","3","177","2","177","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H65 Au B2 N2 -","- C55 H65 Au B2 N2 -","- C440 H520 Au8 B16 N16 -","8","1","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0469","0.0346","","","0.067","0.0804","","","","","","1.119","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566369","9.16551","0.00016","10.4822","0.0002","17.5734","0.0004","90","","90","","90","","1688.36","0.06","293","0.02","293","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Wang, Jianhua; Li, Xiaoxun","Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.","Chemical science","2022","13","10","3020","3026","10.1039/d1sc07237d","","x-ray","1.54184","CuKα","","0.0422","0.0396","","","0.1004","0.1025","","","","","","1.098","","","","has coordinates","274965","2022-05-05","20:26:27",""
"1566406","5.1224","0.0002","8.268","0.0003","24.1637","0.001","90","","90","","90","","1023.38","0.07","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl F N O2 -","- C10 H11 Cl F N O2 -","- C40 H44 Cl4 F4 N4 O8 -","4","1","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.0257","0.0247","","","0.0593","0.0598","","","","","","1.049","","","","has coordinates","274964","2022-05-05","20:26:19",""
"1566407","9.4276","0.0003","19.5575","0.0005","50.822","0.002","90","","93.634","0.004","90","","9351.7","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl F7 N4 O2 S -","- C22 H18 Cl F7 N4 O2 S -","- C352 H288 Cl16 F112 N64 O32 S16 -","16","4","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.1739","0.1375","","","0.3251","0.3445","","","","","","1.1828","","","","has coordinates,has disorder","274964","2022-05-05","20:26:19",""
"1566598","16.326","0.003","16.389","0.003","16.464","0.003","70.953","0.007","89.935","0.01","71.859","0.007","3932.2","1.3","193","2","193","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H43 Cl2 Cr N2 O2 -","- C33 H43 Cl2 Cr N2 O2 -","- C132 H172 Cl8 Cr4 N8 O8 -","4","2","","Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO","Polymer Chemistry","2022","13","13","1852","1860","10.1039/D2PY00125J","","","1.34139","GaKα","","0.1177","0.0736","","","0.2105","0.24","","","","","","1.054","","","","has coordinates","275069","2022-05-05","20:56:01",""
"1566599","14.4764","0.0004","14.5398","0.0004","15.5208","0.0004","90","","109.539","0.001","90","","3078.75","0.15","213","","213","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl2 Cr F2 N2 O2 -","- C31 H37 Cl2 Cr F2 N2 O2 -","- C124 H148 Cl8 Cr4 F8 N8 O8 -","4","1","","Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO","Polymer Chemistry","2022","13","13","1852","1860","10.1039/D2PY00125J","","","1.34139","GaKα","","0.0664","0.0518","","","0.1382","0.1507","","","","","","1.072","","","","has coordinates","275069","2022-05-05","20:56:01",""
"1566739","6.562","0.0008","14.232","0.0017","14.4563","0.0019","90","","90","","90","","1350.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines","Chemical Science","2022","13","11","3227","3232","10.1039/D1SC06729J","","","1.54178","CuKα","","0.0317","0.0314","","","0.0806","0.0807","","","","","","1.106","","","","has coordinates","274302","2022-04-04","07:43:31",""
"1566794","5.8199","0.0008","11.7062","0.0014","18.082","0.002","90","","90","","90","","1231.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 F6 O -","- C14 H12 F6 O -","- C56 H48 F24 O4 -","4","1","","Sathe, Devavrat; Zhou, Junfeng; Chen, Hanlin; Schrage, Briana R.; Yoon, Seiyoung; Wang, Zeyu; Ziegler, Christopher J.; Wang, Junpeng","Depolymerizable semi-fluorinated polymers for sustainable functional materials","Polymer Chemistry","2022","13","18","2608","2614","10.1039/D2PY00240J","","","0.71073","MoKα","","0.0944","0.0775","","","0.2021","0.216","","","","","","1.059","","","","has coordinates","275833","2022-06-06","02:07:19",""
"1566851","7.2488","0.0009","10.7508","0.0014","17.638","0.002","90","","90","","90","","1374.5","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N2 O P -","- C14 H17 N2 O P -","- C56 H68 N8 O4 P4 -","4","1","","Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming","Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions.","Chemical science","2022","13","22","6519","6524","10.1039/d2sc00036a","","","0.71073","MoKα","","0.0366","0.0339","","","0.0863","0.0887","","","","","","1.094","","","","has coordinates","276598","2022-07-06","07:57:38",""
"1566905","20.5713","0.001","15.332","0.0004","21.6572","0.0008","90","","96.891","0.004","90","","6781.3","0.5","100.01","0.12","100.01","0.12","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H50 N30 O15 Zn6 -","- C64 H50 N30 O15 Zn6 -","- C128 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1781","0.1114","","","0.2984","0.3512","","","","","","0.965","","","","has coordinates,has disorder","274889","2022-05-04","21:41:17",""
"1566906","20.7927","0.0005","15.218","0.0002","21.7299","0.0005","90","","93.52","0.002","90","","6862.9","0.2","100","0.14","100","0.14","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1408","0.1002","","","0.274","0.3142","","","","","","0.974","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566907","20.6916","0.0003","15.2813","0.0002","21.6745","0.0003","90","","92.481","0.001","90","","6846.93","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C67 H50 N30 O15 Zn6 -","- C67 H50 N30 O15 Zn6 -","- C134 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1091","0.0929","","","0.2496","0.2652","","","","","","1.057","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566908","20.5389","0.0019","15.2128","0.0005","21.6422","0.0009","90","","94.526","0.006","90","","6741.1","0.7","100","0.18","100","0.18","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","x-ray","1.54184","CuKα","","0.1574","0.1162","","","0.2985","0.3476","","","","","","1.058","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566909","20.7798","0.0004","15.2345","0.0002","21.6564","0.0004","90","","93.144","0.002","90","","6845.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1126","0.0893","","","0.2611","0.2925","","","","","","1.019","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566932","18.0783","0.0008","19.0664","0.0008","27.2154","0.0011","90","","90","","90","","9380.8","0.7","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(COD)2]BArF24","[Cu(COD)2]BArF24","","- C48 H36 B Cu F24 -","- C48 H36 B Cu F24.009 -","- C384 H288 B8 Cu8 F192.072 -","8","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.1053","0.0682","","","0.181","0.2119","","","","","","1.034","","","","has coordinates,has disorder","276601","2022-07-06","07:58:49",""
"1566933","14.9684","0.0006","25.1887","0.0009","19.9836","0.0007","90","","95.937","0.001","90","","7494.1","0.5","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[H3L(Cu)]BArF24","","","- C71 H75 B Cu F24 N4 P3 -","- C71 H75 B Cu F24 N4 P3 -","- C284 H300 B4 Cu4 F96 N16 P12 -","4","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.064","0.0434","","","0.1078","0.123","","","","","","1.035","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566934","11.2148","0.0007","14.0921","0.001","14.3396","0.0009","70.906","0.002","82.68","0.002","80.584","0.002","2106","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","LAlCu","","","- C41 H65 Al Cu N4 O0.5 P3 -","- C41 H65 Al Cu N4 O0.5 P3 -","- C82 H130 Al2 Cu2 N8 O P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.046","0.0332","","","0.0842","0.0898","","","","","","1.025","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566935","11.344","0.004","14.194","0.004","14.285","0.005","70.274","0.017","79.551","0.017","82.067","0.014","2121.9","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","LGaCu","","","- C42.5 H64 Cu Ga N4 P3 -","- C42.5 H64 Cu Ga N4 P3 -","- C85 H128 Cu2 Ga2 N8 P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0365","0.0286","","","0.0728","0.0773","","","","","","1.048","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566936","14.9147","0.0015","14.9147","0.0015","26.629","0.003","90","","90","","120","","5130","0.9","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LGaCu]2B12Cl12","","","- C78 H120 B12 Cl12 Cu2 Ga2 N8 P6 -","- C52 H80 B8 Cl8 Cu1.33333 Ga1.33333 N5.33333 P4 -","- C156 H240 B24 Cl24 Cu4 Ga4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1277","0.1368","","","","","","1.013","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566937","14.9086","0.0007","14.9086","0.0007","26.6016","0.0014","90","","90","","120","","5120.5","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LAlCu]2B12Cl12","","","- C78 H120 Al2 B12 Cl12 Cu2 N8 P6 -","- C52 H80 Al1.33333 B8 Cl8 Cu1.33333 N5.33333 P4 -","- C156 H240 Al4 B24 Cl24 Cu4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0543","0.0412","","","0.1101","0.117","","","","","","1.091","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566968","12.9678","0.0003","14.3694","0.0004","14.5813","0.0004","63.797","0.003","69.859","0.002","65.255","0.003","2171.18","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Cu2 F10 N7 O5 S2 -","- C42 H33 Cu2 F10 N7 O5 S2 -","- C84 H66 Cu4 F20 N14 O10 S4 -","2","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.076","0.0744","","","0.1838","0.1848","","","","","","1.054","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566969","13.3106","0.0001","22.6847","0.0003","15.3728","0.0002","90","","107.618","0.001","90","","4424.05","0.09","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C152 H96 B4 Cu8 F32 N28 O24 S8 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.0863","0.083","","","0.1948","0.1964","","","","","","1.103","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566970","12.4859","0.0001","32.2974","0.0003","21.2406","0.0002","90","","90.543","0.001","90","","8565.14","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H69 B2 Cu4 F16 N14 O12.5 S4 -","- C77.962 H69 B2 Cu4 F15.886 N13.962 O12.462 S4.05 -","- C311.848 H276 B8 Cu16 F63.544 N55.848 O49.848 S16.2 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","","1.54184","CuKα","","0.0967","0.0866","","","0.2561","0.2677","","","","","","1.037","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566976","16.9909","0.0002","33.0617","0.0004","22.675","0.0002","90","","104.519","0.001","90","","12330.9","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C404 H700 As32 K12 N40 Nb4 O72 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0452","0.0406","","","0.1011","0.1031","","","","","","1.097","","","","has coordinates,has disorder","276600","2022-07-06","07:58:20",""
"1566977","17.0926","0.0002","32.8161","0.0004","22.5199","0.0003","90","","104.29","0.0014","90","","12240.8","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C368 H640 As32 K12 N32 O72 Ta4 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0593","0.0472","","","0.1204","0.1264","","","","","","1.068","","","","has coordinates","276600","2022-07-06","07:58:20",""
"1566978","35.2188","0.0004","15.3914","0.00016","12.77462","0.00011","90","","90","","90","","6924.7","0.12","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Cr Mg2 N4 O6 -","- C71 H92 Cr Mg2 N4 O6 -","- C284 H368 Cr4 Mg8 N16 O24 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0427","0.0376","","","0.0931","0.0978","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566979","35.3464","0.0008","15.4039","0.0003","12.869","0.0003","90","","90","","90","","7006.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Mg2 N4 O6 W -","- C71 H91 Mg2 N4 O6 W -","- C284 H364 Mg8 N16 O24 W4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.057","0.0427","","","0.1045","0.1166","","","","","","1.023","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566980","15.2588","0.0007","12.9668","0.0005","35.832","0.003","90","","97.903","0.005","90","","7022.3","0.7","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H91 Mg2 Mn N4 O3 -","- C67 H91 Mg2 Mn N4 O3 -","- C268 H364 Mg8 Mn4 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.124","0.0822","","","0.2192","0.2545","","","","","","1.028","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566981","14.0176","0.0004","13.9077","0.0005","40.2691","0.001","90","","99.749","0.003","90","","7737.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Mg2 N4 O2 Rh -","- C79 H120 Mg2 N4 O2 Rh -","- C316 H480 Mg8 N16 O8 Rh4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.0652","0.0443","","","0.0977","0.1068","","","","","","1.02","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566982","19.433","0.0002","17.40489","0.00018","30.8931","0.0004","90","","96.4115","0.0012","90","","10383.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Cr Mg3 N6 O5 -","- C103.994 H153.986 Cr Mg3 N6 O5 -","- C415.976 H615.944 Cr4 Mg12 N24 O20 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0915","0.057","","","0.1418","0.1667","","","","","","1.022","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566983","14.0273","0.0006","13.9062","0.0006","40.2048","0.0014","90","","99.779","0.004","90","","7728.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Ir Mg2 N4 O2 -","- C79 H120 Ir Mg2 N4 O2 -","- C316 H480 Ir4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.1545","0.1271","","","0.3227","0.331","","","","","","1.266","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566984","15.3628","0.0002","12.9497","0.0002","35.885","0.0006","90","","99.436","0.002","90","","7042.5","0.19","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Cr Mg2 N4 O3 -","- C67 H90 Cr Mg2 N4 O3 -","- C268 H360 Cr4 Mg8 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1388","0.1558","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566985","13.3957","0.001","13.4353","0.0008","22.6744","0.0008","99.136","0.004","97.078","0.004","112.627","0.006","3642.1","0.4","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C77 H100 Fe Mg2 N4 O5 -","- C77 H100 Fe Mg2 N4 O5 -","- C154 H200 Fe2 Mg4 N8 O10 -","2","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.127","0.098","","","0.3006","0.3168","","","","","","1.116","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566986","13.9878","0.0004","13.5935","0.0008","41.687","0.003","90","","92.375","0.005","90","","7919.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H115 Co Mg2 N4 O2 -","- C84.007 H115.008 Co Mg2 N4 O2 -","- C336.028 H460.032 Co4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.1655","0.1004","","","0.2251","0.2711","","","","","","1.042","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566996","15.7788","0.0018","5.6659","0.0007","16.0675","0.0019","90","","116.848","0.003","90","","1281.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0403","","","0.0912","0.0935","","","","","","1.087","","","","has coordinates","276602","2022-07-06","07:59:01",""
"1566997","7.7413","0.0014","10.5757","0.0019","25.507","0.005","90","","98.727","0.005","90","","2064.1","0.7","100","2","100.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H26 N2 O S -","- C23 H26 N2 O S -","- C92 H104 N8 O4 S4 -","4","2","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","","0.71073","MoKα","","0.0541","0.0529","","","0.1285","0.1298","","","","","","1.072","","","","has coordinates,has disorder","276602","2022-07-06","07:59:05",""
"1566998","12.4688","0.0008","12.8052","0.0007","15.4127","0.0008","79.663","0.005","83.931","0.005","69.083","0.005","2259.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylchloronium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Cl F24 -","- C47 H28 B Cl F24 -","- C94 H56 B2 Cl2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0737","0.0609","","","0.1671","0.1801","","","","","","1.034","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1566999","12.4957","0.0007","12.7882","0.0009","15.4855","0.0008","79.453","0.005","83.941","0.005","69.043","0.006","2269.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylbromonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Br F24 -","- C47 H28 B Br F24 -","- C94 H56 B2 Br2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0651","0.0547","","","0.1478","0.1562","","","","","","1.04","","","","has coordinates","287939","2023-12-01","16:52:17",""
"1567000","12.5291","0.0007","12.8808","0.0008","15.7078","0.0009","79.342","0.005","83.823","0.005","68.734","0.005","2319.4","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenyliodonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B F24 I -","- C47 H28 B F24 I -","- C94 H56 B2 F48 I2 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0726","0.0545","","","0.157","0.1653","","","","","","0.979","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1567002","7.9267","0.0005","10.4752","0.0007","10.6827","0.0007","107.079","0.002","100.319","0.001","102.013","0.001","801.49","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 B Cu F4 N4 -","- C13 H18 B Cu F4 N4 -","- C26 H36 B2 Cu2 F8 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0678","0.0492","","","0.0855","0.0931","","","","","","1.072","","","","has coordinates","276587","2022-07-06","07:53:43",""
"1567003","11.064","0.0005","13.6074","0.0006","11.4278","0.0005","90","","91.989","0.002","90","","1719.44","0.13","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H22 B Cu F18 N6 -","- C31 H22 B Cu F18 N6 -","- C62 H44 B2 Cu2 F36 N12 -","2","0.5","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0534","","","0.1101","0.136","","","","","","1.038","","","","has coordinates,has disorder","276587","2022-07-06","07:53:45",""
"1567004","14.6979","0.0006","10.2199","0.0005","15.7068","0.0007","90","","105.812","0.001","90","","2270.06","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag B F6 N4 -","- C22 H16 Ag B F6 N4 -","- C88 H64 Ag4 B4 F24 N16 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0501","0.0354","","","0.0748","0.0812","","","","","","1.053","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567005","10.1272","0.0002","10.3873","0.0002","12.0427","0.0003","75.542","0.001","65.639","0.001","76.936","0.001","1106.56","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 B Cu F6 N4 -","- C22 H16 B Cu F6 N4 -","- C44 H32 B2 Cu2 F12 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0373","0.0331","","","0.0824","0.0857","","","","","","1.077","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567006","11.724","0.0005","12.2179","0.0005","12.8999","0.0006","90","","93.091","0.002","90","","1845.13","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Ag F6 N4 Sb -","- C13 H18 Ag F6 N4 Sb -","- C52 H72 Ag4 F24 N16 Sb4 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.0352","","","0.0678","0.0744","","","","","","1.022","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567012","14.3431","0.0018","16.633","0.002","20.226","0.003","90","","97.151","0.004","90","","4787.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Br2 I2 N36 O36 -","- C72 H108 Br2 I2 N36 O36 -","- C144 H216 Br4 I4 N72 O72 -","2","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0354","0.0339","","","0.086","0.0867","","","","","","1.171","","","","has coordinates","276591","2022-07-06","07:54:47",""
"1567013","6.6366","0.0019","6.8219","0.0019","19.554","0.006","82.484","0.007","87.519","0.007","68.781","0.006","818.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","1","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0934","0.0637","","","0.1652","0.1803","","","","","","1.071","","","","has coordinates","276591","2022-07-06","07:54:50",""
"1567038","16.7731","0.0003","7.1332","0.0002","19.2367","0.0004","90","","104.828","0.002","90","","2224.95","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O -","- C29 H22 Cl N O -","- C116 H88 Cl4 N4 O4 -","4","1","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0608","0.049","","","0.1322","0.1374","","","","","","1.084","","","","has coordinates","276593","2022-07-06","07:55:31",""
"1567039","18.7457","0.0002","7.7279","0.0001","31.217","0.0004","90","","93.528","0.001","90","","4513.68","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl N O Rh -","- C25 H29 Cl N O Rh -","- C200 H232 Cl8 N8 O8 Rh8 -","8","2","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0583","0.0466","","","0.1166","0.1232","","","","","","1.041","","","","has coordinates","299663","2025-05-14","10:17:45",""
"1567040","9.018","0.005","20.697","0.009","17.164","0.006","90","","98.38","0.02","90","","3169","2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 N2 O4 S -","- C37 H38 N2 O4 S -","- C148 H152 N8 O16 S4 -","4","1","","Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye","Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers","Chemical Science","2022","13","24","7283","7288","10.1039/D2SC01548J","","","0.71073","MoKα","","0.0811","0.0506","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","276589","2022-07-06","07:54:14",""
"1567048","10.1334","0.0004","10.2002","0.0003","11.4807","0.0004","93.3946","0.0013","99.9779","0.0014","107.948","0.0013","1103.79","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","1","1","","Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur","Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres.","Chemical science","2022","13","26","7805","7813","10.1039/d2sc02097a","","x-ray","0.71073","MoKα","K-L~3~","0.0934","0.0551","","","0.1136","0.1315","","","","","","1.012","","","","has coordinates","277103","2022-08-06","11:43:31",""
"1567049","12.733","0.004","13.433","0.005","14.738","0.005","63.059","0.008","71.223","0.009","73.702","0.009","2100.3","1.3","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C37.75 H43.75 Cl5.25 N6 O6 -","- C36 H41 N6 O6 -","- C72 H82 N12 O12 -","2","2","","Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M.","Photostable polymorphic organic cages for targeted live cell imaging","Chemical Science","2022","13","24","7341","7346","10.1039/D2SC00836J","","","0.71073","MoKα","","0.1169","0.0873","","","0.2043","0.2226","","","","","","0.971","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1567072","7.1241","0.0005","34.022","0.002","7.3539","0.0005","90","","90.288","0.004","90","","1782.4","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N5 O5 -","- C18 H17 N5 O5 -","- C72 H68 N20 O20 -","4","2","","Zhang, Dequan; Wen, Jialin; Zhang, Xumu","Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids","Chemical Science","2022","13","24","7215","7223","10.1039/D2SC02139K","","x-ray","1.54178","CuKα","","0.0391","0.0348","","","0.0815","0.0843","","","","","","1.07","","","","has coordinates","276588","2022-07-06","07:54:00",""
"1567073","11.191","0.0013","18.5238","0.0019","21.495","0.002","90","","90","","90","","4455.9","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N2 Pd -","- C48 H45 Cl N2 Pd -","- C192 H180 Cl4 N8 Pd4 -","4","1","","Lu, Zhou; Liao, Yudan; Fan, Weigang; Dai, Shengyu","Efficient suppression of the chain transfer reaction in ethylene coordination polymerization with dibenzosuberyl substituents","Polymer Chemistry","2022","13","28","4090","4099","10.1039/D2PY00282E","","","0.71073","MoKα","","0.0906","0.058","","","0.1261","0.1404","","","","","","1.054","","","","has coordinates,has disorder","277146","2022-08-06","12:04:00",""
"1567076","14.7293","0.0004","18.9653","0.0006","22.0241","0.0006","66.815","0.001","72.348","0.001","74.252","0.002","5307.4","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H127 N11 O4 -","- C111 H127 N11 O4 -","- C222 H254 N22 O8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1788","0.1249","","","0.311","0.3375","","","","","","1.818","","","","has coordinates,has disorder","276592","2022-07-06","07:55:18",""
"1567077","17.2251","0.0004","23.1997","0.0007","28.8441","0.0008","90","","90","","90","","11526.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H121 B4 F8 N11 O5 -","- C109 H121 B4 F8 N11 O5 -","- C436 H484 B16 F32 N44 O20 -","4","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.0994","0.0823","","","0.2307","0.2518","","","","","","1.002","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567078","38.9356","0.001","18.8132","0.0004","29.4619","0.0007","90","","90","","90","","21580.9","0.9","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C111 H129 B2 Cl4 F4 N11 O5 -","- C111 H129 B2 Cl4 F4 N11 O5 -","- C888 H1032 B16 Cl32 F32 N88 O40 -","8","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1328","0.1029","","","0.3092","0.3439","","","","","","1.34","","","","has coordinates","276592","2022-07-06","07:55:19",""
"1567079","12.9759","0.0005","17.3","0.0006","23.1532","0.0008","82.59","0.002","81.602","0.002","76.517","0.002","4975.7","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H104 B3 F6 N11 -","- C104 H104 B3 F6 N11 -","- C208 H208 B6 F12 N22 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1316","0.0881","","","0.24","0.2826","","","","","","1.056","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567080","8.465","0.0004","16.1068","0.0008","13.6527","0.0006","90","","95.327","0.002","90","","1853.43","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 B2 N4 O4 -","- C38 H60 B2 N4 O4 -","- C76 H120 B4 N8 O8 -","2","0.5","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","","0.71073","MoKα","","0.0401","0.0359","","","0.0929","0.0963","","","","","","1.06","","","","has coordinates","277093","2022-08-06","11:38:26",""
"1567081","13.3858","0.0002","14.2988","0.0002","13.1709","0.0002","90","","109.65","0.002","90","","2374.11","0.07","100","2","99.97","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H36 B I N4 O2 -","- C20 H36 B I N4 O2 -","- C80 H144 B4 I4 N16 O8 -","4","1","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","x-ray","1.54184","CuKα","","0.0422","0.0367","","","0.0946","0.1018","","","","","","1.09","","","","has coordinates,has disorder","277093","2022-08-06","11:38:29",""
"1567087","13.984","0.003","14.07","0.004","14.277","0.004","61.576","0.005","82.569","0.006","62.486","0.005","2176.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 Cl2 N2 O4 S2 -","- C45 H60 Cl2 N2 O4 S2 -","- C90 H120 Cl4 N4 O8 S4 -","2","1","","Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min","Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies","Chemical Science","2022","13","24","7310","7317","10.1039/D1SC06986A","","","0.71073","MoKα","","0.0985","0.0731","","","0.1976","0.2208","","","","","","1.016","","","","has coordinates","276594","2022-07-06","07:55:53",""
"1567088","8.9639","0.0003","11.1228","0.0003","13.259","0.0004","90","","90","","90","","1321.97","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl I O2 -","- C13 H14 Cl I O2 -","- C52 H56 Cl4 I4 O8 -","4","1","","Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N.","Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine","Chemical Science","2022","13","24","7318","7324","10.1039/D2SC01587K","","x-ray","0.71073","MoKα","","0.0362","0.0326","","","0.0608","0.0623","","","","","","1.043","","","","has coordinates","276590","2022-07-06","07:54:28",""
"1567091","11.9424","0.0004","24.7899","0.0009","22.9964","0.0009","90","","95.974","0.001","90","","6771.1","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(NMes)(N{Dipp}TMS)2]","","- C57 H99 Fe K N5 O6 Si2 -","- C57 H99 Fe K N5 O6 Si2 -","- C228 H396 Fe4 K4 N20 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0571","0.0445","","","0.1018","0.1072","","","","","","1.047","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567092","19.2646","0.0007","16.7587","0.0007","24.952","0.0011","90","","90","","90","","8055.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Fe(NMes)(N{Dipp}TMS)2]","","- C39 H63 Fe N3 Si2 -","- C39 H63 Fe N3 Si2 -","- C312 H504 Fe8 N24 Si16 -","8","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0651","0.0464","","","0.0897","0.0953","","","","","","1.042","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567093","18.281","0.0008","14.0555","0.0006","22.1239","0.0009","90","","106.298","0.001","90","","5456.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","K{crypt}[Fe(N{Dipp}TMS)2]","","- C48 H88 Fe K N4 O6 Si2 -","- C48 H88 Fe K N4 O6 Si2 -","- C192 H352 Fe4 K4 N16 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0548","0.0422","","","0.0955","0.1021","","","","","","1.027","","","","has coordinates,has disorder","277101","2022-08-06","11:43:13",""
"1567094","13.8538","0.0008","24.6616","0.0014","23.5229","0.0013","90","","90.755","0.002","90","","8036.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(S2CNMes)(N{Dipp}TMS)2]","","- C58 H99 Fe K N5 O6 S2 Si2 -","- C58 H99 Fe K N5 O6 S2 Si2 -","- C232 H396 Fe4 K4 N20 O24 S8 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.078","0.0566","","","0.1235","0.13","","","","","","1.048","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567095","12.807","","13.731","","20.965","","90","","110.6","","90","","3451.02","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 N2 O9 S4 -","- C35 H30 N2 O9 S4 -","- C140 H120 N8 O36 S16 -","4","1","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","","0.71073","MoKα","","0.0743","0.055","","","0.1255","0.1402","","","","","","1.038","","","","has coordinates","277102","2022-08-06","11:43:22",""
"1567096","7.6142","0.0004","7.1461","0.0004","12.6645","0.0007","90","","106.526","0.006","90","","660.63","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H7.33 Br2 O0.67 -","- C8 H7.33333 Br2 O0.666667 -","- C24 H22 Br6 O2 -","3","0.75","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","x-ray","1.54184","CuKα","","0.0801","0.0747","","","0.192","0.2058","","","","","","1.076","","","","has coordinates,has disorder","277102","2022-08-06","11:43:23",""
"1567097","6.1025","0.0003","8.5817","0.0005","14.6868","0.0009","86.201","0.005","80.086","0.005","76.138","0.005","735.34","0.07","391","300","391","300","","","","","","","","4","P -1","-P 1","2","","'4-phenyl-2,5-di(pyridin-2-yl)oxazole'","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C38 H26 N6 O2 -","2","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0601","0.0483","","","0.136","0.1458","","","","","","1.092","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567098","12.0851","0.0004","7.7428","0.0003","19.0267","0.0008","90","","102.465","0.004","90","","1738.41","0.12","297","7","297","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'2-(pyridin-2-yl)-4-(p-tolyl)-5-(2,4,6-trifluorophenyl)oxazole'","","- C21 H13 F3 N2 O -","- C21 H13 F3 N2 O -","- C84 H52 F12 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0543","0.0404","","","0.1078","0.1166","","","","","","1.082","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567099","21.1606","0.001","7.1694","0.0003","25.5604","0.0014","90","","110.862","0.006","90","","3623.5","0.3","201","130","201","130","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'2,5-bis(6-methylpyridin-2-yl)-4-(p-tolyl)oxazole'","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0812","0.0548","","","0.15","0.1725","","","","","","1.086","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567100","5.7112","0.0016","23.177","0.008","10.865","0.004","90","","90.891","0.013","90","","1438","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","'5-(4-chlorophenyl)-4-cyclopropyl-2-(pyridin-2-yl)oxazole'","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C68 H52 Cl4 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0525","0.0471","","","0.1145","0.1183","","","","","","1.094","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567101","11.3712","0.0005","9.205","0.0004","19.1767","0.0009","90","","104.402","0.005","90","","1944.18","0.16","296.9","0.3","296.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'4-phenyl-2,5-di(quinolin-2-yl)oxazole'","","- C27 H17 N3 O -","- C27 H17 N3 O -","- C108 H68 N12 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0589","0.0428","","","0.113","0.1236","","","","","","1.088","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567102","7.4535","0.0011","11.5915","0.0016","18.893","0.003","90","","90","","90","","1632.3","0.4","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'5-phenyl-2-(pyridin-2-yl)-4-(p-tolyl)oxazole'","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0772","0.0574","","","0.135","0.1461","","","","","","1.067","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567108","14.0332","0.0006","15.3545","0.0007","22.418","0.0009","82.805","0.004","84.35","0.003","88.156","0.004","4768.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Ag13 F18 N6 O18 S6 -","- C42 H36 Ag13 F18 N6 O18 S6 -","- C84 H72 Ag26 F36 N12 O36 S12 -","2","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.1665","0.1234","","","0.3387","0.3901","","","","","","1.195","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567109","6.8729","0.0007","8.3071","0.0009","8.8774","0.0008","77.25","0.009","88.991","0.008","75.454","0.009","478.12","0.09","172.97","0.1","172.97","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","1","0.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0633","0.0565","","","0.1496","0.1583","","","","","","1.037","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567110","13.6223","0.0002","29.4112","0.0004","17.5734","0.0003","90","","111.122","0.002","90","","6567.72","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Ag F9 N16 O9 S3 -","- C51 H50 Ag F9 N16 O9 S3 -","- C204 H200 Ag4 F36 N64 O36 S12 -","4","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0631","0.0567","","","0.1602","0.1672","","","","","","1.034","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567111","38.1353","0.0005","21.9159","0.0004","25.6721","0.0003","90","","129.97","0.001","90","","16443.4","0.5","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H55 Ag5 F9 N17 O9 S3 -","- C62 H55 Ag5 F9 N17 O9 S3 -","- C496 H440 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54178","CuKα","","0.056","0.0531","","","0.1625","0.1656","","","","","","1.061","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567112","14.8014","0.0004","22.3158","0.0005","24.83","0.0006","84.932","0.002","76.949","0.002","73.121","0.002","7643.2","0.3","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C59 H57 Ag5 F9 N17 O9 S3 -","- C59 H57 Ag5 F9 N17 O9 S3 -","- C236 H228 Ag20 F36 N68 O36 S12 -","4","2","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0878","0.0591","","","0.1229","0.1376","","","","","","1.02","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567113","25.7535","0.0005","24.5293","0.0006","24.9163","0.0004","90","","91.174","0.002","90","","15736.7","0.6","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H53 Ag5 F9 N17 O9 S3 -","- C57 H53 Ag5 F9 N17 O9 S3 -","- C456 H424 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","1.54184","CuKα","","0.0918","0.0728","","","0.1979","0.2182","","","","","","1.031","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567114","9.0344","0.0003","12.927","0.0004","15.428","0.0005","85.714","0.002","87.099","0.003","87.475","0.003","1792.99","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 N2 O6 S2 -","- C18 H22 F6 N2 O6 S2 -","- C54 H66 F18 N6 O18 S6 -","3","1.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0767","0.0632","","","0.1682","0.1791","","","","","","1.0569","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567115","16.1557","0.0009","30.2077","0.0017","58.888","0.004","90","","90","","90","","28739","3","296","2","296.15","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C72 H48 Ag13 F18 N6 O18 S6 -","- C72 H48 Ag13 F18 N6 O18 S6 -","- C576 H384 Ag104 F144 N48 O144 S48 -","8","0.25","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","0.71073","MoKα","","0.1873","0.134","","","0.3601","0.4086","","","","","","1.078","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567133","8.1149","0.0002","9.1915","0.0003","10.8628","0.0004","68.232","0.003","78.44","0.002","81.264","0.002","734.51","0.04","300.58","0.1","300.58","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","1.54184","CuKα","","0.044","0.0418","","","0.1138","0.1156","","","","","","1.059","","","","has coordinates","277105","2022-08-06","11:44:06",""
"1567134","15.0187","0.0007","14.1539","0.0005","30.0583","0.0011","90","","90","","90","","6389.6","0.4","275","4","275","4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32 Co N5 O4 Sn -","- C31 H34 Co N5 O4 Sn -","- C248 H272 Co8 N40 O32 Sn8 -","8","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","0.71073","MoKα","","0.0733","0.0363","","","0.0759","0.0861","","","","","","1.035","","","","has coordinates,has disorder","277105","2022-08-06","11:44:06",""
"1567145","17.2901","0.0012","17.3047","0.0011","29.001","0.002","94.002","0.002","97.603","0.003","119.287","0.002","7410.1","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C204 H296 Ag32 Cl2 F30 N8 O32 S18 -","2","1","","Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu","An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization.","Chemical science","2022","13","28","8355","8364","10.1039/d2sc02786k","","","0.71073","MoKα","","0.2174","0.1059","","","0.2692","0.3334","","","","","","1.018","","","","has coordinates,has disorder","277094","2022-08-06","11:38:44",""
"1567146","17.533","0.0004","8.1217","0.0001","21.3907","0.0005","90","","111.63","0.003","90","","2831.5","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl Ir N4 O P2 -","- C23 H42 Cl Ir N4 O P2 -","- C92 H168 Cl4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0172","0.015","","","0.0335","0.034","","","","","","1.032","","","","has coordinates","277104","2022-08-06","11:43:55",""
"1567147","17.9499","0.0006","8.1504","0.0002","21.5003","0.0008","90","","110.968","0.004","90","","2937.18","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 I Ir N4 O P2 -","- C23 H42 I Ir N4 O P2 -","- C92 H168 I4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0267","0.0216","","","0.0466","0.0478","","","","","","1.042","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1567148","11.9445","0.0001","10.1985","0.0001","25.8721","0.0003","90","","94.016","0.001","90","","3143.9","0.05","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Cl3 Ir N4 O P2 -","- C25 H44 Cl3 Ir N4 O P2 -","- C100 H176 Cl12 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0182","0.0163","","","0.0335","0.034","","","","","","1.074","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567149","11.8995","0.0002","16.0723","0.0002","17.0807","0.0002","67.203","0.001","75.219","0.001","89.306","0.001","2898.06","0.07","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H89 F2 Ir2 N9 O3 P4 -","- C48 H89 F2 Ir2 N9 O3 P4 -","- C96 H178 F4 Ir4 N18 O6 P8 -","2","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0508","0.0461","","","0.1235","0.1246","","","","","","1.358","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567150","13.2443","0.0002","16.1281","0.0003","16.2491","0.0003","77.427","0.001","82.219","0.001","84.357","0.001","3347.95","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 F6 Ir N4 O P3 -","- C25 H48 F6 Ir N4 O P3 -","- C100 H192 F24 Ir4 N16 O4 P12 -","4","2","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0933","0.0649","","","0.1615","0.1766","","","","","","1.16","","","","has coordinates,has disorder","277104","2022-08-06","11:43:56",""
"1567151","17.7005","0.0004","8.1175","0.0001","21.384","0.0004","90","","111.189","0.002","90","","2864.81","0.1","100","","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Br Ir N4 O P2 -","- C23 H42 Br Ir N4 O P2 -","- C92 H168 Br4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","1.54184","CuKα","","0.0437","0.0397","","","0.112","0.1145","","","","","","1.121","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567152","12.0735","0.0002","10.6615","0.0002","23.5954","0.0004","90","","92.963","0.002","90","","3033.18","0.09","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 F6 Ir N4 O P3 -","- C23 H42 F6 Ir N4 O P3 -","- C92 H168 F24 Ir4 N16 O4 P12 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.028","0.0206","","","0.0452","0.0467","","","","","","1.081","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567153","26.0183","0.0001","23.433","0.0001","31.3406","0.0002","90","","90","","90","","19107.9","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H45.5 Ir N5.5 O P2 -","- C26 H45.5 Ir N5.5 O P2 -","- C624 H1092 Ir24 N132 O24 P48 -","24","3","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0449","0.0394","","","0.0979","0.0996","","","","","","1.265","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567156","9.4559","0.0003","16.0249","0.0005","16.2168","0.0005","90","","90","","90","","2457.33","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C120 H108 N4 O20 S4 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0371","0.0355","","","0.0887","0.0906","","","","","","1.089","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567157","9.6145","0.0002","18.9746","0.0004","26.9615","0.0006","90","","90","","90","","4918.62","0.18","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O4 S -","- C30 H25 N O4 S -","- C240 H200 N8 O32 S8 -","8","2","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0333","0.0319","","","0.079","0.0812","","","","","","1.039","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1567161","9.9824","0.0003","23.4742","0.0009","13.6413","0.0006","90","","94.6068","0.0017","90","","3186.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","RuBMP B2S","","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C116 H116 B8 Cl8 N8 P4 Ru4 S12 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0508","0.0338","","","0.0659","0.074","","","","","","1.013","","","","has coordinates","277091","2022-08-06","11:38:02",""
"1567162","17.2497","0.0013","15.0068","0.001","19.7663","0.0014","90","","115.089","0.002","90","","4634","0.6","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 B2 N2 P Ru S5 -","- C32 H45 B2 N2 P Ru S5 -","- C128 H180 B8 N8 P4 Ru4 S20 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","x-ray","0.71073","MoKα","","0.0472","0.0356","","","0.0775","0.0872","","","","","","1.136","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567163","8.1421","0.0016","9.038","0.0016","11.991","0.002","91.746","0.005","95.358","0.006","91.618","0.005","877.7","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","1","0.5","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0565","0.0486","","","0.1137","0.1206","","","","","","1.129","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567164","43.162","0.006","11.6075","0.0014","17.077","0.002","90","","94.107","0.005","90","","8533.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl2 N3 P Ru S6 -","- C40 H47 Cl2 N3 P Ru S6 -","- C320 H376 Cl16 N24 P8 Ru8 S48 -","8","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.1535","0.0622","","","0.119","0.1456","","","","","","0.82","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567165","5.247","0.0002","8.2089","0.0002","28.1307","0.0009","90","","90","","90","","1211.65","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0727","0.0687","","","0.1927","0.1994","","","","","","1.112","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567166","8.796","0.0002","10.4133","0.0002","10.7857","0.0002","90","","90","","90","","987.92","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0307","0.0298","","","0.0924","0.0941","","","","","","0.877","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567167","5.9107","0.0001","13.8035","0.0003","15.3174","0.0003","90","","90","","90","","1249.72","0.04","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.048","0.0467","","","0.123","0.1242","","","","","","1.0551","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567168","8.6793","0.0001","22.7043","0.0003","11.0413","0.0001","90","","90","","90","","2175.77","0.04","298.23","0.1","298.23","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","2","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0393","0.0368","","","0.101","0.1025","","","","","","1.066","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1567169","7.8803","0.0002","9.7157","0.0002","10.6212","0.0002","94.241","0.001","94.434","0.002","111.794","0.002","748.16","0.03","303.15","0.1","303.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 Br O5 -","- C14 H17 Br O5 -","- C28 H34 Br2 O10 -","2","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0819","0.0832","","","","","","1.068","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567170","20.8643","0.0019","4.5307","0.0004","8.748","0.0007","90","","102.292","0.004","90","","807.99","0.12","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2016z","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0496","0.0392","","","0.1093","0.117","","","","","","1.093","","","","has coordinates","276677","2022-07-06","08:38:23",""
"1567171","8.1288","0.0006","7.536","0.0006","8.551","0.0006","90","","113.285","0.002","90","","481.16","0.06","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20090z","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0367","0.0347","","","0.0928","0.095","","","","","","1.072","","","","has coordinates","276677","2022-07-06","08:38:32",""
"1567172","25.3633","0.0017","5.2161","0.0003","8.9982","0.0004","90","","103.025","0.003","90","","1159.81","0.12","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 N2 O4 -","- C10 H20 N2 O4 -","- C40 H80 N8 O16 -","4","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0551","0.0429","","","0.1093","0.1191","","","","","","1.088","","","","has coordinates","276677","2022-07-06","08:38:36",""
"1567184","9.05033","0.00013","11.72687","0.00018","16.30904","0.00019","94.4336","0.0011","96.4467","0.0011","108.884","0.0014","1615.45","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Al O P Si4 -","- C22 H56 Al O P Si4 -","- C44 H112 Al2 O2 P2 Si8 -","2","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0329","0.032","","","0.0786","0.0793","","","","","","1.023","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567185","11.738","0.002","28.6426","0.0013","11.8207","0.0018","90","","119.12","0.02","90","","3471.9","1.1","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H55 Al O3 P Si4 -","- C23 H55 Al O3 P Si4 -","- C92 H220 Al4 O12 P4 Si16 -","4","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","0.71073","MoKα","","0.0936","0.0657","","","0.1914","0.2165","","","","","","1.035","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567186","14.912","0.0003","9.33098","0.00017","17.8266","0.0005","90","","104.662","0.003","90","","2399.68","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Al2 O4 Si8 -","- C30 H78 Al2 O4 Si8 -","- C60 H156 Al4 O8 Si16 -","2","0.5","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0346","0.0337","","","0.0915","0.094","","","","","","1.058","","","","has coordinates","277098","2022-08-06","11:41:15",""
"1567187","12.51484","0.00016","16.89311","0.00017","17.04953","0.00018","84.6973","0.0008","76.7333","0.001","75.257","0.001","3390.6","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H58 Al O3 P Si4 -","- C23 H58 Al O3 P Si4 -","- C92 H232 Al4 O12 P4 Si16 -","4","2","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0269","0.0255","","","0.0686","0.0696","","","","","","1.033","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567188","12.6477","0.0006","12.7165","0.0003","19.2801","0.001","90","","130.968","0.008","90","","2341.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0584","0.046","","","0.1212","0.1326","","","","","","1.03","","","","has coordinates","277097","2022-08-06","11:40:52",""
"1567189","8.8091","0.0001","14.2922","0.0001","15.6275","0.0002","90","","97.274","0.001","90","","1951.69","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 N O P S -","- C10.25 H10.25 N0.25 P0.5 S0.25 -","- C82 H82 N2 P4 S2 -","8","4","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0436","0.0411","","","0.1134","0.1146","","","","","","1.055","","","","has coordinates","277097","2022-08-06","11:40:53",""
"1567190","8.647","0.003","20.509","0.007","8.854","0.0018","90","","101.501","0.013","90","","1538.7","0.8","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N3 O3 -","- C28 H26 N3 O3 -","- C56 H52 N6 O6 -","2","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","","0.71073","MoKα","","0.0775","0.0653","","","0.1751","0.1925","","","","","","1.057","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567191","9.75496","0.00019","13.6686","0.0003","18.7757","0.0004","90","","90","","90","","2503.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N3 O3 -","- C29 H27 N3 O3 -","- C116 H108 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0622","0.0474","","","0.1211","0.1354","","","","","","1.025","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567192","39.3006","0.0005","39.3006","0.0005","39.3006","0.0005","90","","90","","90","","60701.2","1.3","200","","200","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C144 H82 N12 O32 S6 Zr6 -","- C144 H82 N12 O32 S6 Zr6 -","- C1152 H656 N96 O256 S48 Zr48 -","8","0.0416667","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0608","0.0528","","","0.1621","0.1732","","","","","","1.122","","","","has coordinates,has disorder","277100","2022-08-06","11:42:29",""
"1567193","39.2392","0.0005","39.2392","0.0005","39.2392","0.0005","90","","90","","90","","60417.2","1.3","299","","299","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H44 N6 O16 S3 Zr3 -","- C84 H44 N6 O16 S3 Zr3 -","- C1344 H704 N96 O256 S48 Zr48 -","16","0.0833333","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0478","0.0409","","","0.1194","0.1286","","","","","","1.097","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567194","7.0203","0.0002","10.3506","0.0003","24.2607","0.0007","90","","95.442","0.001","90","","1754.94","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N6 S Zn -","- C14 H10 N6 S Zn -","- C56 H40 N24 S4 Zn4 -","4","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.047","0.0393","","","0.1123","0.1187","","","","","","1.064","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567195","16.549","0.0014","16.549","0.0014","12.4563","0.0012","90","","90","","90","","3411.4","0.5","190","","190","","","","","","","","","5","I 41","I 4bw","80","","","","- C12 H6 N6 S Zn -","- C12 H6 N6 S Zn -","- C96 H48 N48 S8 Zn8 -","8","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.34139","GaKα","","0.077","0.0718","","","0.1839","0.1932","","","","","","1.093","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567196","10.4136","0.0003","15.0054","0.0004","15.7481","0.0004","88.538","0.002","87.931","0.001","81.423","0.001","2431.19","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0871","0.0732","","","0.1913","0.1998","","","","","","1.079","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567197","10.4363","0.0008","15.0079","0.0011","15.7667","0.001","88.157","0.003","88.133","0.003","81.78","0.003","2441.9","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0493","0.0451","","","0.1282","0.1326","","","","","","1.04","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567201","14.1418","0.0002","16.3515","0.0002","22.1403","0.0003","107.364","0.0013","92.5382","0.0012","108.194","0.0014","4588.44","0.12","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0262","0.0238","","","0.0509","0.0516","","","","","","1.073","","","","has coordinates,has disorder","277096","2022-08-06","11:40:22",""
"1567202","17.5895","0.0002","26.3839","0.0004","21.325","0.0003","90","","99.763","0.001","90","","9753.2","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H152 K3 N5 O16 Si8 U2 -","- C67 H152 K3 N5 O16 Si8 U2 -","- C268 H608 K12 N20 O64 Si32 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1279","0.1007","","","0.2701","0.2894","","","","","","1.035","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567203","13.9128","0.0005","16.1167","0.0006","21.8294","0.001","80.346","0.004","83.8","0.004","71.074","0.004","4557","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0939","0.0488","","","0.092","0.1075","","","","","","0.969","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567204","13.707","0.0002","13.7678","0.0002","29.7454","0.0004","94.2273","0.0011","97.0402","0.0012","117.487","0.0016","4887.79","0.14","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C120 H288 Cs4 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0591","0.0451","","","0.1071","0.1116","","","","","","1.056","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567205","20.57855","0.00015","19.40862","0.00016","26.9671","0.0002","90","","91.6235","0.0008","90","","10766.4","0.14","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H174 K2 N5 O14 Si10 U2 -","- C72 H174 K2 N5 O14 Si10 U2 -","- C288 H696 K8 N20 O56 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0488","0.0413","","","0.0981","0.1031","","","","","","1.022","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567206","12.81649","0.00007","23.44652","0.0001","27.38157","0.00013","90","","100.985","0.0005","90","","8077.44","0.07","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C196.8 H516 K4 N20 O33.2 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0231","0.0223","","","0.0552","0.0557","","","","","","1.114","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567207","15.102","0.0006","29.934","0.0016","27.0037","0.0008","90","","99.035","0.004","90","","12055.9","0.9","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H162 K6 N6 O16 Si10 U2 -","- C66 H162 K6 N6 O16 Si10 U2 -","- C264 H648 K24 N24 O64 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1567","0.0863","","","0.2043","0.2436","","","","","","1.021","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567208","13.8976","0.0004","14.741","0.0004","18.5692","0.0004","106.635","0.002","103.811","0.002","95.243","0.002","3487.04","0.17","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0634","0.0592","","","0.1574","0.1614","","","","","","1.03","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567209","14.1046","0.0003","16.153","0.0004","22.2432","0.0005","108.265","0.002","92.266","0.002","107.449","0.002","4540.8","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 K N3 O16 Si8 U2 -","- C60 H144 K N3 O16 Si8 U2 -","- C120 H288 K2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0624","0.0511","","","0.1447","0.1506","","","","","","1.056","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567210","13.65686","0.00016","17.961","0.0002","20.0238","0.0002","93.8055","0.0009","91.6994","0.0009","112.135","0.0011","4531.67","0.09","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0415","0.0336","","","0.0881","0.0909","","","","","","1.08","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567211","13.5839","0.0004","20.4057","0.0006","22.3874","0.0007","66.602","0.003","83.686","0.003","85.153","0.003","5655","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H90 K N2 O8 Si6 U -","- C36 H90 K N2 O8 Si6 U -","- C144 H360 K4 N8 O32 Si24 U4 -","4","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.066","0.0709","","","","","","1.016","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567212","14.10134","0.0001","30.68723","0.00018","46.2387","0.0003","90","","92.8994","0.0007","90","","19983.3","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H158 K2 N3 O16 Si8 U2 -","- C66 H158 K2 N3 O16 Si8 U2 -","- C528 H1264 K16 N24 O128 Si64 U16 -","8","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0953","0.0839","","","0.2147","0.2218","","","","","","1.059","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567255","9.938","0.002","12.053","0.002","19.598","0.004","94.27","0.03","104.5","0.03","90.69","0.03","2265.3","0.8","300.79","0.1","300.79","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 N2 O4 Y -","- C44 H73 N2 O4 Y -","- C88 H146 N4 O8 Y2 -","2","1","","Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong","Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands","Polymer Chemistry","2022","13","29","4249","4259","10.1039/D2PY00455K","","","1.54184","CuKα","","0.094","0.0659","","","0.1303","0.1492","","","","","","1.112","","","","has coordinates,has disorder","277145","2022-08-06","12:03:52",""
"1567256","21.9272","0.0008","11.1967","0.0005","41.785","0.002","90","","92.244","0.004","90","","10250.9","0.8","294.06","0.1","294.06","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C50 H86 N2 O4.25 Y -","- C50 H86 N2 O4.25 Y -","- C400 H688 N16 O34 Y8 -","8","2","","Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong","Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands","Polymer Chemistry","2022","13","29","4249","4259","10.1039/D2PY00455K","","","0.71073","MoKα","","0.1342","0.1046","","","0.2596","0.2917","","","","","","1.079","","","","has coordinates,has disorder","277145","2022-08-06","12:03:52",""
"1567276","40.568","0.002","41.959","0.002","19.6114","0.0013","90","","90","","90","","33382","3","250","","250","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C232 H122 F16 N20 O48 S5 Y12 -","- C232 H122 F16 N20 O48 S5 Y12 -","- C464 H244 F32 N40 O96 S10 Y24 -","2","0.125","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.54178","CuKα","","0.0743","0.0589","","","0.1711","0.1807","","","","","","0.95","","","","has coordinates,has disorder","277650","2022-09-06","09:51:26",""
"1567277","21.358","0.01","35.038","0.016","20.494","0.009","90","","90","","90","","15337","12","173","","173","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C47.48 H22.51 F4 N3 O12.97 S Y3 -","- C47.453 H23.453 F4 N3 O12.906 S Y3 -","- C189.812 H93.812 F16 N12 O51.624 S4 Y12 -","4","0.25","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.34139","GaKα","","0.1227","0.0853","","","0.223","0.253","","","","","","0.922","","","","has coordinates,has disorder","277650","2022-09-06","09:51:27",""
"1567283","8.4884","0.0017","6.7183","0.0013","11.755","0.002","90","","108.39","0.03","90","","636.1","0.2","100","2","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0645","0.0412","","","0.1132","0.1213","","","","","","1.021","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567284","22.442","0.005","10.441","0.002","41.64","0.014","90","","91.84","0.03","90","","9752","4","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 Cu F6 N8 P -","- C30 H40 Cu F6 N8 P -","- C360 H480 Cu12 F72 N96 P12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0791","0.0682","","","0.1684","0.1757","","","","","","1.095","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567285","15.194","0.003","11.576","0.002","8.9945","0.0018","90","","90","","90","","1582","0.5","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H23 N5 -","- C16 H23 N5 -","- C64 H92 N20 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0428","0.0387","","","0.0956","0.0994","","","","","","1.083","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567286","10.318","0.002","12.507","0.003","16.034","0.003","98.43","0.03","95.28","0.03","113.19","0.03","1855.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu F6 N8 O6 S2 -","- C32 H40 Cu F6 N8 O6 S2 -","- C64 H80 Cu2 F12 N16 O12 S4 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.1122","0.0616","","","0.1663","0.226","","","","","","1.065","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567287","22.769","0.005","10.613","0.002","42.709","0.017","90","","90.75","0.03","90","","10320","5","240","2","240","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H40 Cu F3 N8 O3 S -","- C31 H40 Cu F3 N8 O3 S -","- C372 H480 Cu12 F36 N96 O36 S12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1187","0.0527","","","0.1128","0.1277","","","","","","0.922","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567288","6.8997","0.0014","10.446","0.002","12.234","0.002","103.63","0.03","98.86","0.03","93.79","0.03","841.9","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N4 -","- C18 H26 N4 -","- C36 H52 N8 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0582","0.0507","","","0.1285","0.137","","","","","","1.098","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567289","13.585","0.003","25.27","0.005","12.065","0.002","90","","91.75","0.03","90","","4139.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B2 Cu F8 N10 O4 -","- C36 H46 B2 Cu F8 N10 O4 -","- C144 H184 B8 Cu4 F32 N40 O16 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.073","0.0474","","","0.1099","0.1211","","","","","","1.026","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567290","13.117","0.003","13.265","0.003","15.609","0.003","73.5","0.03","76.04","0.03","61.06","0.03","2261.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H58 Cl2 Cu F6 N8 P -","- C41 H58 Cl2 Cu F6 N8 P -","- C82 H116 Cl4 Cu2 F12 N16 P2 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.0997","0.0565","","","0.1246","0.1429","","","","","","1.032","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567291","7.76","0.0016","13.9","0.003","32.3","0.007","90","","92.6","0.03","90","","3480.4","1.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu F6 N8 O4 P -","- C32 H40 Cu F6 N8 O4 P -","- C128 H160 Cu4 F24 N32 O16 P4 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0785","0.0756","","","0.2068","0.2097","","","","","","1.052","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567292","6.8391","0.0014","14.447","0.003","15.756","0.003","64.51","0.03","89.05","0.03","86.95","0.03","1403.2","0.6","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","2","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1333","0.1448","","","","","","1.156","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567293","11.779","0.002","19.544","0.004","15.389","0.003","90","","94.9","0.03","90","","3529.7","1.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cu F4 N10 -","- C32 H46 B Cu F4 N10 -","- C128 H184 B4 Cu4 F16 N40 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0948","0.0827","","","0.2132","0.2288","","","","","","1.128","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567294","17.171","0.003","8.9412","0.0018","22.701","0.005","90","","108.94","0.03","90","","3296.6","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B2 Cu F8 N8 -","- C30 H40 B2 Cu F8 N8 -","- C120 H160 B8 Cu4 F32 N32 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1012","0.0857","","","0.2129","0.2265","","","","","","1.081","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567295","12.407","0.003","21.571","0.004","16.723","0.003","90","","90","","90","","4475.6","1.6","100","2","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H56 Cu F6 N8 O6 S2 -","- C42 H56 Cu F6 N8 O6 S2 -","- C168 H224 Cu4 F24 N32 O24 S8 -","4","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0564","0.0511","","","0.1129","0.116","","","","","","1.217","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567296","13.547","0.003","12.641","0.003","26.447","0.005","90","","93.99","0.03","90","","4518","1.7","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu F6 N10 O10 S2 -","- C38 H46 Cu F6 N10 O10 S2 -","- C152 H184 Cu4 F24 N40 O40 S8 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0892","0.0426","","","0.1006","0.1104","","","","","","0.931","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567297","12.27","0.003","19.141","0.004","36.523","0.007","90","","90","","90","","8578","3","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cu F6 N10 O6 S2 -","- C34 H46 Cu F6 N10 O6 S2 -","- C272 H368 Cu8 F48 N80 O48 S16 -","8","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0793","0.065","","","0.1568","0.171","","","","","","1.094","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567298","14.04416","0.00015","29.0153","0.0003","27.517","0.0003","90","","91.0486","0.0009","90","","11211.2","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H176 O25 Rb2 Si6 U2 -","- C78 H176 O25 Rb2 Si6 U2 -","- C312 H704 O100 Rb8 Si24 U8 -","4","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0609","0.0555","","","0.1551","0.1592","","","","","","1.092","","","","has coordinates,has disorder","277654","2022-09-06","09:54:35",""
"1567299","13.7997","0.0011","16.508","0.0011","25.0252","0.0018","71.888","0.006","81.133","0.006","71.005","0.006","5114.5","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H162 O25 Rb Si6 U2 -","- C72 H162 O25 Rb Si6 U2 -","- C144 H324 O50 Rb2 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.2321","0.0858","","","0.187","0.2326","","","","","","0.922","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567300","13.8302","0.0003","31.0949","0.0004","14.0653","0.0004","90","","118.148","0.003","90","","5333.4","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 Na O25 Si6 U2 -","- C72 H162 Na O25 Si6 U2 -","- C144 H324 Na2 O50 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0895","0.0809","","","0.2189","0.2285","","","","","","1.052","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567301","14.3992","0.0005","14.5329","0.0005","30.7352","0.0007","88.132","0.002","79.13","0.002","60.661","0.003","5492.7","0.3","140","0.3","140","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C79 H170 Cs2 O26 Si6 U2 -","- C79 H170 Cs2 O26 Si6 U2 -","- C158 H340 Cs4 O52 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","0.71073","MoKα","","0.0644","0.0542","","","0.1043","0.1074","","","","","","1.19","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567302","14.484","0.0002","17.573","0.0003","25.4883","0.0004","79.6962","0.0013","89.4157","0.0013","67.026","0.0016","5863.83","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H178 O26 Rb2 Si6 U2 -","- C86 H178 O26 Rb2 Si6 U2 -","- C172 H356 O52 Rb4 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1058","0.1093","","","","","","1.06","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567303","14.2492","0.0003","30.7972","0.0006","30.9557","0.0005","115.848","0.0018","95.2709","0.0016","98.8528","0.0018","11885.2","0.5","219.99","0.1","219.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 Cs4 N2 O25 Si6 U2 -","- C72 H162 Cs4 N2 O25 Si6 U2 -","- C288 H648 Cs16 N8 O100 Si24 U8 -","4","2","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.1044","0.0645","","","0.1541","0.1807","","","","","","0.963","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1567304","14.0149","0.0003","17.5229","0.0003","24.7263","0.0006","83.4471","0.0018","83.4537","0.0019","70.099","0.002","5654","0.2","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C144 H324 N4 O50 Rb4 Si12 U4 -","2","2","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0793","0.0609","","","0.1449","0.1592","","","","","","1.047","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567305","25.3833","0.0004","25.3833","0.0004","65.6666","0.0017","90","","90","","90","","42309.8","1.4","140.1","0.5","140.1","0.5","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H162 Cs2 O25 Si6 U2 -","- C72 H162 Cs2 O25 Si6 U2 -","- C1152 H2592 Cs32 O400 Si96 U32 -","16","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0982","0.0556","","","0.1198","0.1475","","","","","","1.0072","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567306","10.0611","0.001","11.5414","0.0011","15.8166","0.0015","77.316","0.007","74.707","0.007","65.801","0.007","1602.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C76 H96 N4 O4 -","2","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.0912","0.0738","","","0.1993","0.2099","","","","","","1.068","","","","has coordinates","277665","2022-09-06","09:59:00",""
"1567307","13.809","0.003","8.7376","0.0017","17.19","0.005","90","","99.585","0.005","90","","2045.1","0.8","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C46 H64 N2 O2 -","- C46 H64 N2 O2 -","- C92 H128 N4 O4 -","2","0.25","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.0685","0.045","","","0.116","0.1281","","","","","","1.023","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567308","7.0219","0.0004","20.7503","0.001","17.221","0.001","90","","91.096","0.002","90","","2508.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 O2 S -","- C18 H10 O2 S -","- C144 H80 O16 S8 -","8","2","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0915","0.0773","","","0.167","0.1738","","","","","","1.208","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567309","6.142","0.002","9.094","0.003","15.431","0.005","106.415","0.005","93.806","0.005","97.936","0.006","813.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MnNRC8","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","1","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.1128","0.0815","","","0.2118","0.235","","","","","","1.047","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567310","19.7648","0.0012","7.4276","0.0004","16.1962","0.0009","90","","90","","90","","2377.7","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C120 H112 O8 S4 -","4","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.081","0.0754","","","0.187","0.1936","","","","","","1.104","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567311","15.4383","0.0016","20.371","0.002","7.3501","0.0007","90","","90","","90","","2311.6","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 O2 S -","- C31 H24 O2 S -","- C124 H96 O8 S4 -","4","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0678","0.053","","","0.1091","0.1153","","","","","","1.095","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567312","27.514","0.002","12.1313","0.0011","32.252","0.004","90","","99.556","0.007","90","","10615.7","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr_snow","","","- C54 H84 Cl Cr N2 O5 -","- C54 H84 Cl Cr N2 O5 -","- C432 H672 Cl8 Cr8 N16 O40 -","8","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.2037","0.1291","","","0.3138","0.3808","","","","","","1.109","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567313","12.373","0.006","19.541","0.009","21.137","0.01","63.579","0.005","75.787","0.005","71.958","0.005","4317","4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H34 F10 Ir N4 O2 P -","- C48.5 H34 F10 Ir N4 O2 P -","- C194 H136 F40 Ir4 N16 O8 P4 -","4","2","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0617","0.045","","","0.1092","0.1198","","","","","","1.058","","","","has coordinates","277089","2022-08-06","11:37:20",""
"1567314","12.0293","0.0003","13.6426","0.0003","15.8219","0.0003","79.16","0.001","81.948","0.001","71.953","0.001","2415.43","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 F10 Ir N4 O4 P -","- C55 H39 F10 Ir N4 O4 P -","- C110 H78 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.024","0.023","","","0.0579","0.0584","","","","","","1.047","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567315","11.885","0.002","13.195","0.003","16.517","0.003","105.127","0.002","97.59","0.002","101.773","0.002","2400.4","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 F10 Ir N4 O4 P -","- C50 H30 F10 Ir N4 O4 P -","- C100 H60 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0339","0.0296","","","0.0734","0.0752","","","","","","1.049","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567326","7.3149","0.0012","8.4664","0.0013","25.63","0.004","93.482","0.013","94.312","0.013","100.726","0.014","1550.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 B F5 O2 S3 -","- C33 H23 B F5 O2 S3 -","- C66 H46 B2 F10 O4 S6 -","2","1","","Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang","Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching","Chemical Science","2022","13","32","9381","9386","10.1039/D2SC02662G","","x-ray","0.71073","MoKα","","0.308","0.1095","","","0.1875","0.2774","","","","","","1.004","","","","has coordinates","277653","2022-09-06","09:52:31",""
"1567327","11.63","0.04","12.52","0.05","15.71","0.06","76.35","0.1","72.58","0.07","65.54","0.08","1970","13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H48 Au F6 N4 O6 Sb -","- C35 H44 Au F6 N4 O6 Sb -","- C70 H88 Au2 F12 N8 O12 Sb2 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.1121","0.0894","","","0.2113","0.2361","","","","","","1.062","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567328","6.3989","0.0002","7.1432","0.0002","27.0217","0.0007","90","","90","","90","","1235.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0287","0.0282","","","0.0731","0.0736","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567329","12.29","0.04","16.44","0.05","19.22","0.06","90","","101.35","0.06","90","","3807","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37.26 H44.26 F6 I0.11 N4 O0.89 Sb -","- C37.251 H44.251 F6 I0.107 N4 O0.893 Sb -","- C149.004 H177.004 F24 I0.428 N16 O3.572 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0892","0.068","","","0.1365","0.1468","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567330","9.9684","0.0005","23.6287","0.001","12.9108","0.0006","90","","101.309","0.002","90","","2982","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Au Cl N4 -","- C31 H38 Au Cl N4 -","- C124 H152 Au4 Cl4 N16 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0594","0.0473","","","0.1253","0.136","","","","","","1.088","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567331","11.589","0.01","11.486","0.009","26.6","0.03","90","","97.78","0.02","90","","3508","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl N5 O2 -","- C37 H46 Cl N5 O2 -","- C148 H184 Cl4 N20 O8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0697","0.0602","","","0.1425","0.1481","","","","","","1.123","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567332","9.426","0.007","12.481","0.009","15.289","0.012","108.17","0.02","91.2","0.03","110.83","0.02","1580","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Au Cl N5 O0.46 -","- C32 H42 Au Cl N5 O0.464 -","- C64 H84 Au2 Cl2 N10 O0.928 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0482","0.034","","","0.074","0.0854","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567333","12.502","0.0006","15.3475","0.0008","22.3529","0.0011","83.846","0.002","81.645","0.002","79.159","0.002","4153.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H50 Au Cl2 F6 N4 O2 Sb -","- C35 H48 Au Cl2 F6 N4 O2 Sb -","- C140 H192 Au4 Cl8 F24 N16 O8 Sb4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0762","0.0586","","","0.1292","0.1402","","","","","","1.236","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567334","12.25","0.02","15.5","0.02","23.22","0.04","89.58","0.03","84.7","0.04","85.16","0.04","4374","12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Au Cl N5 O -","- C46 H55 Au Cl N5 O -","- C184 H220 Au4 Cl4 N20 O4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0801","0.0509","","","0.1007","0.1158","","","","","","1.271","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567335","25.668","0.009","11.721","0.004","25.249","0.009","90","","90","","90","","7596","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H82 Au2 F12 N10 Sb2 -","- C72 H82 Au2 F12 N10 Sb2 -","- C288 H328 Au8 F48 N40 Sb8 -","4","0.5","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1075","0.0652","","","0.1282","0.151","","","","","","1.243","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567336","17.0009","0.0007","11.783","0.0005","19.9923","0.0008","90","","98.26","0.002","90","","3963.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Au F6 N5 Sb -","- C42 H45 Au F6 N5 Sb -","- C168 H180 Au4 F24 N20 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0642","0.0478","","","0.1097","0.1221","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567337","16.5318","0.0008","17.9336","0.0008","25.9388","0.0012","90","","107.017","0.002","90","","7353.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C268 H352 Au8 Cl8 F48 N32 O4 Sb8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0745","0.0513","","","0.1039","0.1178","","","","","","1.242","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567338","16.4149","0.0008","23.5323","0.0012","24.8306","0.0013","64.105","0.001","80.992","0.002","81.246","0.001","8484.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C334 H430 Au8 B8 Cl8 F32 N42 O18 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1132","0.0658","","","0.1318","0.1554","","","","","","1.098","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567382","14.0862","0.0006","15.4831","0.0007","12.9171","0.0005","90","","106.586","0.004","90","","2700","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.1085","0.119","","","","","","1.061","","","","has coordinates","277661","2022-09-06","09:57:18",""
"1567383","12.9752","0.0007","6.8244","0.0004","15.5938","0.001","90","","90","","90","","1380.8","0.14","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0569","0.0387","","","0.1102","0.1187","","","","","","1.058","","","","has coordinates,has disorder","277661","2022-09-06","09:57:20",""
"1567384","12.9715","0.0006","6.8326","0.0003","15.6063","0.0008","90","","90","","90","","1383.17","0.11","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0565","0.0382","","","0.1062","0.1141","","","","","","1.07","","","","has coordinates,has disorder","277661","2022-09-06","09:57:31",""
"1567385","14.0976","0.0005","15.4992","0.0005","12.9484","0.0004","90","","106.584","0.004","90","","2711.56","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.122","0.0836","","","0.204","0.2241","","","","","","1.039","","","","has coordinates","277661","2022-09-06","09:57:33",""
"1567386","7.685","0.0003","15.3186","0.0004","12.9425","0.0005","90","","120.622","0.005","90","","1311.16","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0248","0.0212","","","0.0511","0.0523","","","","","","1.03","","","","has coordinates","277661","2022-09-06","09:57:37",""
"1567387","7.6985","0.0005","15.3528","0.0008","12.9738","0.0008","90","","120.533","0.009","90","","1320.79","0.18","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","","0.71073","MoKα","","0.0956","0.0714","","","0.2079","0.2239","","","","","","1.05","","","","has coordinates","277661","2022-09-06","09:57:40",""
"1567393","34.6729","0.0018","5.8345","0.0003","19.159","0.001","90","","106.03","0.002","90","","3725.1","0.3","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C20 H24 Fe O6 -","- C20 H24 Fe O6 -","- C160 H192 Fe8 O48 -","8","2","","Oberle, Kjersti G.; Whitman, Elizabeth L.; Jolly, Charles S.; Webster, Katherine A.; Marx, Benjamin S.; Howard, Christopher M.; Hanger, Clara A.; Ramey, Erin E.; Zou, Yutong; Lowe, Jared C.; Turlington, Mark; Turlington, Christopher R.","Metallopolymers in minutes via organocatalysis at room temperature","Polymer Chemistry","2022","13","33","4747","4751","10.1039/D2PY00747A","","","0.71073","MoKα","","0.0445","0.0417","","","0.093","0.0941","","","","","","1.132","","","","has coordinates,has disorder","277681","2022-09-06","10:20:04",""
"1567397","6.3864","0.0001","7.8416","0.0001","39.8125","0.0007","90","","90","","90","","1993.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 O7 P -","- C18 H27 O7 P -","- C72 H108 O28 P4 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi","Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases","Chemical Science","2022","13","29","8550","8556","10.1039/D2SC01965E","","x-ray","1.54184","CuKα","","0.0459","0.0432","","","0.109","0.1105","","","","","","1.098","","","","has coordinates","276999","2022-07-29","22:05:19",""
"1567398","16.5285","0.0001","17.378","0.0001","34.2234","0.0002","90","","90","","90","","9830.06","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Br2 Mn N7 O Si2 -","- C43 H67 Br2 Mn N7 O Si2 -","- C344 H536 Br16 Mn8 N56 O8 Si16 -","8","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0387","0.0341","","","0.0838","0.0878","","","","","","1.028","","","","has coordinates","277001","2022-07-29","22:06:29",""
"1567399","10.1252","0.0003","18.0882","0.0005","13.3966","0.0005","90","","103.606","0.003","90","","2384.69","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H65 Mn N7 O3 Si2 -","- C48 H65 Mn N7 O3 Si2 -","- C96 H130 Mn2 N14 O6 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0605","0.0511","","","0.1279","0.1399","","","","","","1.05","","","","has coordinates,has disorder","277001","2022-07-29","22:06:30",""
"1567400","9.522","0.0001","18.7589","0.0002","13.6576","0.0002","90","","97.022","0.001","90","","2421.25","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H75 Mn N7 P2 Si2 -","- C45 H75 Mn N7 P2 Si2 -","- C90 H150 Mn2 N14 P4 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0447","0.0407","","","0.1048","0.1093","","","","","","1.054","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567401","13.5113","0.0003","13.8328","0.0003","28.2254","0.0005","90","","92.402","0.002","90","","5270.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Mn N7 P2 Si2 -","- C48 H82 Mn N7 P2 Si2 -","- C192 H328 Mn4 N28 P8 Si8 -","4","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0654","0.0445","","","0.1058","0.1198","","","","","","1.024","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567402","11.8411","0.0006","12.4718","0.0007","15.3713","0.0008","80.252","0.002","81.208","0.002","66.112","0.003","2036.64","0.19","135","2","135","2","","","","","","","","7","P -1","-P 1","2","Mo-2","","","- C37 H30 Cl2 F18 Mo N2 O4 -","- C37 H30 Cl2 F18 Mo N2 O4 -","- C74 H60 Cl4 F36 Mo2 N4 O8 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0602","0.0528","","","0.1401","0.1443","","","","","","1.024","","","","has coordinates","277002","2022-07-29","22:07:17",""
"1567403","12.9654","0.0008","13.8876","0.0009","19.3009","0.0012","79.898","0.002","78.994","0.002","86.057","0.003","3356.2","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","Mo-8","","","- C53 H44 Al Cl F41 Mo N2 O7 -","- C53 H44 Al Cl F41 Mo N2 O7 -","- C106 H88 Al2 Cl2 F82 Mo2 N4 O14 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0914","0.0718","","","0.174","0.1845","","","","","","1.041","","","","has coordinates,has disorder","277002","2022-07-29","22:07:18",""
"1567414","6.3457","0.00007","12.49324","0.00016","29.7405","0.0004","90","","93.4861","0.0011","90","","2353.41","0.05","296","0.9","296","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","2","","Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends","Chemical Science","2022","13","32","9265","9270","10.1039/D2SC02985E","","x-ray","1.54184","CuKα","","0.0543","0.0505","","","0.1373","0.1426","","","","","","1.037","","","","has coordinates","277656","2022-09-06","09:56:04",""
"1567415","16.196","0.006","12.016","0.004","23.162","0.01","90","","93.907","0.014","90","","4497","3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Al Fe N2 -","- C48 H70 Al Fe N2 -","- C192 H280 Al4 Fe4 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0718","0.0434","","","0.0961","0.1084","","","","","","1.031","","","","has coordinates,has disorder","277663","2022-09-06","09:58:25",""
"1567416","16.6116","0.0008","14.202","0.0007","20.0432","0.0011","90","","103.503","0.003","90","","4597.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H61 Al Fe I2 N2 -","- C45 H61 Al Fe I2 N2 -","- C180 H244 Al4 Fe4 I8 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0894","0.0466","","","0.0943","0.12","","","","","","1.034","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567417","16.797","0.003","16.275","0.004","19.697","0.006","90","","112.357","0.012","90","","4980","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H146 Al2 Fe2 I2 N4 -","- C104 H146 Al2 Fe2 I2 N4 -","- C208 H292 Al4 Fe4 I4 N8 -","2","0.5","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.1144","0.0717","","","0.1686","0.2007","","","","","","1.019","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567418","15.8692","0.0002","16.9522","0.0003","18.67859","0.00019","112.089","0.0013","93.6385","0.0011","100.472","0.0013","4530.35","0.12","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H136 Al2 Fe2 I2 N4 -","- C96 H136 Al2 Fe2 I2 N4 -","- C192 H272 Al4 Fe4 I4 N8 -","2","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","x-ray","1.54184","CuKα","","0.0743","0.0597","","","0.1499","0.1592","","","","","","1.044","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567419","22.1651","0.0002","19.7884","0.0002","23.3393","0.0002","90","","113.136","0.001","90","","9413.59","0.17","100","2","99.9","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H130 Al2 Fe2 I2 N4 -","- C97 H130 Al2 Fe2 I2 N4 -","- C388 H520 Al8 Fe8 I8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","1.54184","CuKα","","0.0533","0.0438","","","0.1097","0.1148","","","","","","1.059","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567420","15.996","0.008","29.021","0.014","19.433","0.01","90","","91.562","0.013","90","","9018","8","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H136 Al2 Fe2 N4 -","- C96 H136 Al2 Fe2 N4 -","- C384 H544 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0833","0.059","","","0.1457","0.1596","","","","","","1.057","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567421","19.856","0.008","14.8","0.004","29.131","0.01","90","","105.079","0.012","90","","8266","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H122 Al2 Fe2 N4 -","- C90 H122 Al2 Fe2 N4 -","- C360 H488 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0964","0.0505","","","0.1142","0.1347","","","","","","1.015","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567422","14.187","0.003","13.429","0.004","27.488","0.008","90","","90","","90","","5237","2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C256 H192 N16 O16 S16 -","8","1","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","0.71073","MoKα","","0.1317","0.0601","","","0.1318","0.1837","","","","","","1.021","","","","has coordinates","277662","2022-09-06","09:57:52",""
"1567423","4.88","0.003","10.531","0.006","12.724","0.007","105.72","0.02","91.51","0.02","99.05","0.03","620","0.6","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","1","0.5","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","1.54178","CuKα","","0.1199","0.0987","","","0.2318","0.2482","","","","","","0.987","","","","has coordinates","277662","2022-09-06","09:57:55",""
"1567425","11.826","0.002","7.8223","0.0013","12.199","0.002","90","","118.99","","90","","987.1","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing","Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide","Chemical Science","2022","13","30","8834","8839","10.1039/D2SC02497G","","","0.71073","MoKα","","0.0326","0.0301","","","0.081","0.083","","","","","","1.009","","","","has coordinates","277072","2022-08-04","22:09:22",""
"1567429","9.2426","0.0006","18.4473","0.0014","35.708","0.004","90","","90","","90","","6088.3","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C160 H96 Cl32 N64 Na16 O112 Pd8 -","8","1","","Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata","Non-directed Pd-catalysed electrooxidative olefination of arenes","Chemical Science","2022","13","32","9432","9439","10.1039/D2SC03288K","","","0.71073","MoKα","","0.1709","0.1177","","","0.2428","0.2701","","","","","","1.114","","","","has coordinates","277652","2022-09-06","09:52:11",""
"1567439","9.3339","0.0019","9.6044","0.0018","14.535","0.003","81.54","0.006","78.191","0.006","89.814","0.006","1261.1","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C50 H80 N4 O8 -","2","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1553","0.0938","","","0.2134","0.25","","","","","","1.035","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567440","37.83","0.02","4.929","0.003","12.845","0.007","90","","97.014","0.013","90","","2377","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C92 H160 N8 O20 -","4","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1303","0.0668","","","0.1355","0.1804","","","","","","0.996","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567442","9.6054","0.0003","19.7203","0.0006","20.7848","0.0006","104.662","0.001","92.247","0.001","90.183","0.001","3805.6","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H63 Fe N3 -","- C41 H63 Fe N3 -","- C164 H252 Fe4 N12 -","4","2","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0523","0.0438","","","0.1065","0.1105","","","","","","1.046","","","","has coordinates","277659","2022-09-06","09:56:48",""
"1567443","8.9896","0.0005","9.3153","0.0005","10.4649","0.0006","74.635","0.003","87.557","0.003","62.337","0.002","745.1","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","1","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0872","0.0659","","","0.153","0.1638","","","","","","1.074","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567444","9.3375","0.0014","15.828","0.002","21.069","0.003","90","","96.519","0.008","90","","3093.7","0.8","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Fe N2 -","- C32 H52 Fe N2 -","- C128 H208 Fe4 N8 -","4","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.1414","0.1255","","","0.321","0.329","","","","","","1.176","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567445","9.9409","0.001","36.563","0.004","10.6275","0.0011","90","","95.047","0.003","90","","3847.8","0.7","151","2","151","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Fe N3 -","- C42 H67 Fe N3 -","- C168 H268 Fe4 N12 -","4","1","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0738","0.0482","","","0.1012","0.1107","","","","","","1.037","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567447","9.9788","0.0003","15.3329","0.0005","19.7187","0.0006","90","","90","","90","","3017.04","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 B N3 O2 -","- C40 H26 B N3 O2 -","- C160 H104 B4 N12 O8 -","4","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.0303","0.0295","","","0.0691","0.0697","","","","","","1.069","","","","has coordinates","277660","2022-09-06","09:57:03",""
"1567448","13.375","0.0004","6.5182","0.0002","18.2995","0.0006","90","","98.281","0.001","90","","1578.73","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H28 B Cl2 N3 O2 -","- C40 H28 B Cl2 N3 O2 -","- C80 H56 B2 Cl4 N6 O4 -","2","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.049","0.0463","","","0.1279","0.1302","","","","","","1.053","","","","has coordinates,has disorder","277660","2022-09-06","09:57:06",""
"1567449","11.298","0.004","14.164","0.006","15.698","0.005","71.621","0.01","71.685","0.018","73.388","0.012","2214","1.4","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0217","0.0192","","","0.0453","0.0463","","","","","","1.017","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567450","11.283","0.003","14.143","0.003","15.714","0.003","71.674","0.009","71.73","0.007","73.486","0.009","2211.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14 -","- C2.7619 H0.190476 Al0.0952381 F3.80952 O1.04762 Os0.142857 -","- C58 H4 Al2 F80 O22 Os3 -","21","10.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0411","","","0.0665","0.0713","","","","","","1","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567451","15.639","0.014","15.156","0.014","41.36","0.04","90","","95.87","0.02","90","","9752","16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 Al F36 N O17 Ru4 -","- C29 Al F36 N O17 Ru4 -","- C232 Al8 F288 N8 O136 Ru32 -","8","2","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0889","0.0436","","","0.074","0.0867","","","","","","1.005","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567452","14.514","0.009","10.566","0.006","18.161","0.011","90","","98.81","0.03","90","","2752","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 Al2 Cl2 F63 O6 -","- C38 Al2 Cl2 F63 O6 -","- C76 Al4 Cl4 F126 O12 -","2","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0542","0.0421","","","0.0993","0.1061","","","","","","1.072","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567453","11.81","0.004","12.939","0.002","19.507","0.005","102.689","0.009","103.941","0.014","92.667","0.009","2806.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0672","0.0415","","","0.0901","0.102","","","","","","1.003","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567454","18.581","0.003","13.756","0.002","16.816","0.003","90","","90","","90","","4298.2","1.2","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 Al F36 I3 O10 Ru2 -","- C21.675 Al F36 I3 O10 Ru2 -","- C86.7 Al4 F144 I12 O40 Ru8 -","4","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0528","","","0.1077","0.1107","","","","","","1.193","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567455","20.504","0.004","17.81","0.003","25.217","0.008","90","","107.09","0.02","90","","8802","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H3 Ag Al2 F61 O30 Os6 -","- C56.996 H3 Ag Al2 F60.991 O29.999 Os6 -","- C227.984 H12 Ag4 Al8 F243.964 O119.996 Os24 -","4","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0587","0.042","","","0.0881","0.0965","","","","","","1.124","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567456","13.768","0.0016","13.768","0.0016","9.5388","0.0012","90","","90","","90","","1808.2","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 I O9 Ru -","- C21 Al F36 I O9 Ru -","- C42 Al2 F72 I2 O18 Ru2 -","2","0.25","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0648","0.0676","","","","","","1.073","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567457","11.819","0.003","12.94","0.003","19.477","0.005","102.636","0.012","103.912","0.017","92.736","0.017","2805.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0513","0.0382","","","0.0869","0.0962","","","","","","1.032","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567458","12.349","0.006","12.385","0.004","23.041","0.01","90.85","0.02","94.031","0.01","93.152","0.013","3509","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H2 Ag Al F40 O28 Ru6 -","- C46 H2 Ag Al F40 O28 Ru6 -","- C92 H4 Ag2 Al2 F80 O56 Ru12 -","2","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0723","0.0495","","","0.0955","0.1053","","","","","","1.07","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567461","9.0815","0.0002","11.6927","0.0002","14.7988","0.0003","90","","102.05","0.001","90","","1536.82","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido","Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization","Chemical Science","2022","13","33","9749","9754","10.1039/D2SC03860A","","single crystal","1.54178","CuKα","","0.0413","0.0337","","","0.0813","0.0861","","","","","","1.044","","","","has coordinates","277658","2022-09-06","09:56:34",""
"1567476","15.4863","0.0002","16.5824","0.0003","22.2267","0.0002","90","","90","","90","","5707.82","0.14","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc43","","- C62 H49 F12.1 N6 Ni2 O6 -","- C62 H49 F12.099 N6 Ni2 O6 -","- C248 H196 F48.396 N24 Ni8 O24 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.081","0.081","","","","","","1.059","","","","has coordinates,has disorder","277657","2022-09-06","09:56:23",""
"1567477","6.2917","0.0004","16.636","0.001","9.166","0.0007","90","","102.361","0.008","90","","937.15","0.11","145","","145","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C8 H8 F6 O2 -","- C8 H8 F6 O2 -","- C32 H32 F24 O8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0553","0.0552","","","0.1525","0.1527","","","","","","1.12","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567478","11.0205","0.0001","13.9185","0.0001","19.0776","0.0002","90","","90","","90","","2926.29","0.05","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc79b1f2","","- C31 H25 F7 N3 Ni O3 -","- C31 H25 F7 N3 Ni O3 -","- C124 H100 F28 N12 Ni4 O12 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","","1.54184","CuKα","","0.0309","0.0303","","","0.0812","0.0816","","","","","","1.039","","","","has coordinates,has disorder","277657","2022-09-06","09:56:24",""
"1567479","13.7855","0.0012","5.6753","0.0006","11.6678","0.001","90","","103.923","0.008","90","","886.03","0.15","145","","145","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F6 N2 -","- C7 H4 F6 N2 -","- C28 H16 F24 N8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0931","0.079","","","0.2405","0.2569","","","","","","1.076","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567487","6.2635","0.0005","11.4411","0.001","20.8675","0.0018","90","","90","","90","","1495.4","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Lai, Junshan; Reid, Jolene P.","Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis","Chemical Science","2022","13","37","11065","11073","10.1039/D2SC02171D","","x-ray","1.54178","CuKα","","0.0294","0.0262","","","0.0591","0.062","","","","","","1.057","","","","has coordinates","278410","2022-10-07","00:48:56",""
"1567538","9.28","0.001","17.0143","0.0019","10.0461","0.001","90","","115.351","0.005","90","","1433.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Balanna, Kuruva; Barik, Soumen; Shee, Sayan; Gonnade, Rajesh G.; Biju, Akkattu T.","Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes <i>via</i> NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones.","Chemical science","2022","13","39","11513","11518","10.1039/d2sc03745a","","","1.54178","CuKα","","0.0438","0.0433","","","0.1068","0.1073","","","","","","1.066","","","","has coordinates","278978","2022-11-07","05:19:49",""
"1567539","21.4916","0.0004","18.1316","0.0004","23.7184","0.0004","90","","91.945","0.002","90","","9237.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Ag14 F24 N6 O22 S6 -","- C52 H84 Ag14 F24 N6 O22 S6 -","- C208 H336 Ag56 F96 N24 O88 S24 -","4","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.122","0.1149","","","0.3121","0.3217","","","","","","1.071","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567540","14.2139","0.0005","15.6549","0.0004","17.3498","0.0006","94.12","0.002","110.998","0.003","104.208","0.002","3439.1","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","0.71073","MoKα","","0.1009","0.0727","","","0.2291","0.2493","","","","","","1.05","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567541","14.9116","0.0003","16.3962","0.0002","18.2438","0.0003","97.091","0.001","112.841","0.002","104.162","0.001","3864.89","0.13","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.1286","0.0995","","","0.3071","0.3306","","","","","","1.03","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567548","7.4998","0.0013","11.4895","0.0017","18.504","0.003","98.672","0.007","96.018","0.007","90.007","0.006","1567.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Muraoka, Masanobu; Goto, Masahide; Minami, Masaki; Zhou, Dayang; Suzuki, Takeyuki; Yajima, Tatsuo; Hayashi, Jun'ichi; Sogawa, Hiromitsu; Sanda, Fumio","Ethynylene-linked multifunctional benzoxazines: the effect of the ethynylene group and packing on thermal behavior","Polymer Chemistry","2022","13","39","5590","5596","10.1039/D2PY00840H","","","0.71075","MoKα","","0.1258","0.0907","","","0.1921","0.2077","","","","","","1.063","","","","has coordinates","279027","2022-11-07","05:55:00",""
"1567549","11.8514","0.001","30.185","0.003","7.533","0.001","90","","90","","90","","2694.8","0.5","193","","193","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Hydroxyindolin-2-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C128 H112 N16 O32 -","16","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.0477","0.0384","","","0.0902","0.1027","","","","","","0.929","","","","has coordinates","278409","2022-10-07","00:48:46",""
"1567550","35.383","0.002","35.383","0.002","5.235","0.0004","90","","90","","120","","5675.9","0.6","193","","193","","","","","","","","","4","R -3 :H","-R 3","148","","4-(Phenylethynyl)indolin-2-one","","- C16 H11 N O -","- C16 H11 N O -","- C288 H198 N18 O18 -","18","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.073","0.0644","","","0.1805","0.1862","","","","","","1.097","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567551","9.928","0.0019","9.4716","0.0018","52.455","0.01","90","","90.791","0.006","90","","4932.1","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-(1,2,2-Triphenylvinyl)phenyl)-1H-indole","","- C34 H25 N -","- C34 H25 N -","- C272 H200 N8 -","8","2","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1877","0.0702","","","0.1797","0.2298","","","","","","0.983","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567552","14.0103","0.0013","35.603","0.003","11.376","0.0013","90","","117.174","0.003","90","","5048.1","0.9","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C252 H228 N12 O36 -","12","3","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1015","0.0729","","","0.2031","0.2247","","","","","","1.041","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567572","9.4017","0.0004","10.5681","0.0005","12.696","0.0006","66.4289","0.001","77.1738","0.0011","84.9305","0.0011","1127.35","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0718","0.0749","","","","","","1.03","","","","has coordinates","277624","2022-09-05","06:14:35",""
"1567573","11.59303","0.00007","11.77994","0.00006","21.25835","0.00012","90","","91.1883","0.0005","90","","2902.53","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Co N3 O2 -","- C31 H44 Co N3 O2 -","- C124 H176 Co4 N12 O8 -","4","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","1.54184","CuKα","","0.0319","0.0307","","","0.0855","0.0863","","","","","","1.085","","","","has coordinates,has disorder","277624","2022-09-05","06:14:41",""
"1567574","10.9817","0.0004","17.1391","0.0006","31.4588","0.0011","90","","90","","90","","5921.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H68 Co2 N4 O6 -","- C68 H68 Co2 N4 O6 -","- C272 H272 Co8 N16 O24 -","4","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0564","0.0431","","","0.1051","0.1125","","","","","","1.109","","","","has coordinates,has disorder","277624","2022-09-05","06:14:50",""
"1567575","11.1838","0.0005","12.1674","0.0006","15.6011","0.0008","72.164","0.002","70.4512","0.0018","89.2308","0.0019","1895.03","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0417","0.0321","","","0.0751","0.0798","","","","","","1.031","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567576","11.1341","0.0004","13.1609","0.0004","17.4589","0.0006","81.674","0.0009","71.6133","0.0009","84.1723","0.0009","2397.89","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 Co2 N4 O6 -","- C52 H60 Co2 N4 O6 -","- C104 H120 Co4 N8 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0536","0.034","","","0.0749","0.0863","","","","","","1.046","","","","has coordinates","277624","2022-09-05","06:14:51",""
"1567577","14.3182","0.0003","12.0109","0.0003","15.9104","0.0004","90","","97.507","0.0007","90","","2712.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 Co2 N4 O10 -","- C57 H72 Co2 N4 O10 -","- C114 H144 Co4 N8 O20 -","2","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0581","0.0501","","","0.1358","0.1419","","","","","","1.07","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567578","13.2692","0.0003","15.2605","0.0004","16.5352","0.0004","77.6834","0.0004","76.0242","0.0005","66.204","0.0004","2947.53","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Co2 N8 O6 -","- C60 H80 Co2 N8 O6 -","- C120 H160 Co4 N16 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0528","0.0433","","","0.1086","0.1133","","","","","","1.08","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567579","13.5589","0.0003","35.2233","0.001","16.1183","0.0005","90","","105.07","0.001","90","","7433.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Co2 N4 O6 -","- C54 H58 Co2 N4 O6 -","- C324 H348 Co12 N24 O36 -","6","1.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.046","0.0326","","","0.0831","0.0914","","","","","","1.057","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567580","14.2247","0.0005","18.7107","0.0006","19.0753","0.001","109.83","0.004","93.98","0.003","103.16","0.003","4590.5","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H76 N2 O -","- C53 H76 N2 O -","- C212 H304 N8 O4 -","4","2","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1188","0.0595","","","0.0948","0.1136","","","","","","1.013","","","","has coordinates","277625","2022-09-05","06:17:09",""
"1567581","13.0058","0.0006","18.6532","0.0008","20.2559","0.0008","90","","107.607","0.005","90","","4683.9","0.4","150.3","0.5","150.3","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Cl N2 O2 -","- C53 H79 Cl N2 O2 -","- C212 H316 Cl4 N8 O8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1626","0.064","","","0.0926","0.1241","","","","","","0.916","","","","has coordinates","277625","2022-09-05","06:17:18",""
"1567582","17.3378","0.0009","16.0403","0.001","38.924","0.002","90","","95.096","0.005","90","","10782.1","1","150","0.14","150","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H84 F3 N2 O4.5 S -","- C57 H84 F3 N2 O4.5 S -","- C456 H672 F24 N16 O36 S8 -","8","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1844","0.0859","","","0.2195","0.2793","","","","","","1.014","","","","has coordinates,has disorder","277625","2022-09-05","06:17:20",""
"1567583","12.152","0.0008","31.9515","0.0018","14.2567","0.0007","90","","97.129","0.005","90","","5492.7","0.6","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Cl2 F12 N2 O P2 -","- C54 H78 Cl2 F12 N2 O P2 -","- C216 H312 Cl8 F48 N8 O4 P8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.2151","0.0942","","","0.2009","0.2575","","","","","","1.002","","","","has coordinates","277625","2022-09-05","06:17:21",""
"1567601","11.5827","0.0006","15.4151","0.0005","27.061","0.0012","90","","90.708","0.002","90","","4831.3","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Ga N4 P -","- C60 H68 Ga N4 P -","- C240 H272 Ga4 N16 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0791","0.0547","","","0.1224","0.1368","","","","","","1.042","","","","has coordinates,has disorder","278404","2022-10-07","00:47:44",""
"1567602","25.411","0.0018","16.6359","0.0013","23.7139","0.0018","90","","107.797","0.003","90","","9545","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H53 Cl Ga N4 P -","- C52.5 H53 Cl Ga N4 P -","- C420 H424 Cl8 Ga8 N32 P8 -","8","2","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","","0.71073","MoKα","","0.0735","0.0463","","","0.1083","0.1219","","","","","","1.027","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567603","13.0677","0.0006","21.406","0.0011","17.1423","0.0007","90","","108.63","0.002","90","","4543.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Ga N4 O P -","- C56 H60 Ga N4 O P -","- C224 H240 Ga4 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0272","0.0254","","","0.0689","0.07","","","","","","1.061","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567608","10.9102","0.0003","6.1038","0.0002","14.7452","0.0004","90","","99.5","0.003","90","","968.47","0.05","173","0.1","173","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H29 N -","- C23 H29 N -","- C46 H58 N2 -","2","1","","Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang","Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines","Chemical Science","2022","13","37","11150","11155","10.1039/D2SC03999K","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1281","0.1301","","","","","","1.039","","","","has coordinates","278412","2022-10-07","00:49:33",""
"1567609","21.1343","0.0008","13.7339","0.0007","7.328","0.0003","90","","90","","90","","2127","0.16","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 I3 N -","- C23 H16 I3 N -","- C92 H64 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0453","0.0251","","","0.0345","0.0382","","","","","","1.053","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567610","8.0838","0.0002","11.8898","0.0004","12.2871","0.0004","64.355","0.001","77.901","0.001","77.39","0.001","1030.02","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C44 H28 I6 N2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0218","0.0171","","","0.0352","0.0362","","","","","","1.097","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567611","8.5783","0.0004","11.1636","0.0006","13.3063","0.0007","74.307","0.002","71.324","0.002","79.269","0.002","1155.23","0.1","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0451","0.0276","","","0.0474","0.0517","","","","","","1.079","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567612","21.0883","0.0017","13.773","0.0011","7.3022","0.0006","90","","90","","90","","2120.9","0.3","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H15 I3 N2 -","- C22 H15 I3 N2 -","- C88 H60 I12 N8 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0636","0.0362","","","0.0671","0.0744","","","","","","1.063","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567613","21.0383","0.0012","13.782","0.0008","7.3031","0.0004","90","","90","","90","","2117.5","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C88 H56 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0444","0.0265","","","0.0446","0.0484","","","","","","1.058","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567614","7.2077","0.0005","12.3954","0.0008","14.0967","0.0009","98.565","0.002","101.823","0.002","91.413","0.002","1216.98","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F3 I2 N O3 S -","- C24 H16 F3 I2 N O3 S -","- C48 H32 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.0315","","","0.065","0.0683","","","","","","1.176","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567615","7.1362","0.0003","12.3559","0.0006","14.2656","0.0007","98.46","0.002","103.067","0.002","94.936","0.002","1202.63","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.033","0.0275","","","0.0658","0.0678","","","","","","1.166","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567616","22.544","0.003","22.544","0.003","9.5927","0.0011","90","","90","","90","","4875.3","1.1","100","","100","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H15 F3 I2 N2 O3 S -","- C23 H15 F3 I2 N2 O3 S -","- C184 H120 F24 I16 N16 O24 S8 -","8","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0248","","","0.0467","0.0506","","","","","","1.098","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567617","22.116","0.007","17.029","0.005","16.379","0.008","90","","124.27","0.01","90","","5098","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H51 F6 N5 O6 S2 -","- C59 H51 F6 N5 O6 S2 -","- C236 H204 F24 N20 O24 S8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0786","0.0594","","","0.1554","0.1713","","","","","","1.034","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567618","8.4766","0.0009","15.6816","0.0016","28.099","0.002","90","","95.655","0.003","90","","3716.9","0.6","140.01","","140.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 -","- C51 H45 N5 -","- C204 H180 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1547","0.0735","","","0.1281","0.1526","","","","","","1.051","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567619","17.0926","0.0014","16.467","0.0012","17.5046","0.0013","90","","113.674","0.002","90","","4512.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Cl4 N5 -","- C57 H49 Cl4 N5 -","- C228 H196 Cl16 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.137","0.0789","","","0.1489","0.173","","","","","","1.043","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567620","15.6999","0.0009","18.4945","0.001","20.4988","0.0011","90","","91.779","0.003","90","","5949.2","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H55 Cl6 I2 N5 Rh2 -","- C59 H55 Cl6 I2 N5 Rh2 -","- C236 H220 Cl24 I8 N20 Rh8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0429","0.0344","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567621","16.175","0.0004","18.4493","0.0005","18.016","0.0005","90","","102.497","0.001","90","","5248.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 F6 N5 O6 S2 -","- C57 H55 Cl2 F6 N5 O6 S2 -","- C228 H220 Cl8 F24 N20 O24 S8 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1006","0.0666","","","0.1785","0.1994","","","","","","1.089","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567622","8.1602","0.0003","10.1021","0.0004","11.5212","0.0004","88.2151","0.0014","69.4794","0.0014","72.0806","0.0013","843.2","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C36 H42 N2 O12 -","2","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.1027","","","","","","1.051","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567623","12.998","0.0005","7.7936","0.0003","15.3862","0.0006","90","","106.506","0.0012","90","","1494.41","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0461","0.0382","","","0.0908","0.0991","","","","","","1.054","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567624","5.03","0.0003","20.5537","0.0012","16.8829","0.001","90","","97.379","0.002","90","","1730.99","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0829","0.0782","","","0.2076","0.2152","","","","","","1.076","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567625","17.15","0.004","9.733","0.003","10.702","0.003","90","","106.541","0.007","90","","1712.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.1464","0.1112","","","0.2192","0.2349","","","","","","1.182","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567626","8.1387","0.0004","24.2934","0.001","8.5069","0.0004","90","","117.414","0.0013","90","","1493.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0494","0.0443","","","0.1139","0.119","","","","","","1.025","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567627","7.8712","0.0004","16.4752","0.0007","11.757","0.0005","90","","91.5968","0.0014","90","","1524.05","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0495","0.0369","","","0.0841","0.0932","","","","","","1.042","","","","has coordinates,has disorder","280224","2023-01-06","10:06:32",""
"1567630","24.1916","0.0017","9.9649","0.0005","14.5436","0.0011","90","","112.784","0.003","90","","3232.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.0563","0.0425","","","0.1029","0.1139","","","","","","1.105","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567631","13.16","0.004","7.282","0.002","14.2","0.004","90","","99.631","0.006","90","","1341.6","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1363","0.0488","","","0.0836","0.1102","","","","","","0.974","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567632","20.192","0.0008","20.192","0.0008","11.043","0.0005","90","","90","","90","","4502.4","0.3","296.15","","296.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1518","0.0709","","","0.1481","0.1737","","","","","","0.952","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567633","20.891","0.005","8.271","0.003","44.433","0.012","90","","102.813","0.01","90","","7486","4","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H85 N3 O4 S2 -","- C94 H82 N2 O4 S2 -","- C376 H328 N8 O16 S8 -","4","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.1718","0.1193","","","0.3121","0.3619","","","","","","1.21","","","","has coordinates","278414","2022-10-07","00:50:08",""
"1567634","12.745","0.004","14.782","0.004","19.522","0.004","82.434","0.012","83.954","0.019","80.211","0.017","3579.8","1.7","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H48 Cl6 N2 O8 S2 -","- C79 H47 Cl3 N2 O8 S2 -","- C158 H94 Cl6 N4 O16 S4 -","2","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.0847","0.063","","","0.1836","0.2017","","","","","","1.052","","","","has coordinates,has disorder","278414","2022-10-07","00:50:08",""
"1567637","6.3182","0.0001","39.6141","0.0008","7.7124","0.0002","90","","111.769","0.001","90","","1792.68","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Cooper, Phillippa; Dalling, Andrew G.; Farrar, Elliot H. E.; Aldhous, Timothy P.; Grélaud, Simon; Lester, Eleanor; Feron, Lyman J.; Kemmitt, Paul D.; Grayson, Matthew N.; Bower, John F.","Atom and step economical synthesis of acyclic quaternary centers via iridium-catalyzed hydroarylative cross-coupling of 1,1-disubstituted alkenes","Chemical Science","2022","13","37","11183","11189","10.1039/D2SC02790A","","","0.71073","MoKα","","0.0777","0.055","","","0.1085","0.1172","","","","","","1.096","","","","has coordinates","278408","2022-10-07","00:48:33",""
"1567641","6.36017","0.00018","7.8529","0.0002","20.1551","0.001","91.523","0.004","91.016","0.004","93.88","0.002","1003.81","0.06","129","14","129","14","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0375","0.0344","","","0.0768","0.0788","","","","","","1.033","","","","has coordinates","277845","2022-09-14","22:09:06",""
"1567642","10.6941","0.0003","8.218","0.0002","46.3766","0.0014","90","","90","","90","","4075.8","0.2","296","0.3","296","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C168 H232 Br8 O32 -","8","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0444","0.043","","","0.1083","0.1094","","","","","","1.051","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567643","6.41587","0.00011","12.0405","0.0003","13.3039","0.0003","94.139","0.002","91.6023","0.0017","101.288","0.0017","1004.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0412","0.0361","","","0.096","0.0986","","","","","","1.06","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567644","5.8614","0.0002","15.5412","0.0007","14.8746","0.0007","90","","90.764","0.004","90","","1354.85","0.1","119.99","0.1","119.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.084","0.0735","","","0.1494","0.1561","","","","","","1.088","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567645","14.0432","0.0005","7.0309","0.0003","21.1186","0.0008","90","","100.447","0.004","90","","2050.61","0.14","119.99","0.1","119.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C84 H116 Br4 O16 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0292","0.0264","","","0.0677","0.0691","","","","","","1.072","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567646","6.28197","0.00017","12.2599","0.0004","19.1503","0.0005","89.562","0.002","87.114","0.002","78.209","0.003","1441.93","0.07","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H38 O4 -","- C35 H38 O4 -","- C70 H76 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0825","0.0729","","","0.182","0.189","","","","","","1.088","","","","has coordinates,has disorder","277845","2022-09-14","22:09:07",""
"1567647","7.44418","0.0001","11.53654","0.00018","12.84945","0.00019","69.1422","0.0014","81.678","0.0012","84.3027","0.0012","1018.98","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0251","0.0247","","","0.062","0.0623","","","","","","1.053","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567648","10.5777","0.0002","41.8595","0.0007","10.6059","0.0002","90","","115.198","0.001","90","","4249.18","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl (R)-(1-([1,1'-biphenyl]-4-yl)-2-oxo-2-phenylethyl)carbamate","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","4","","Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei","Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter.","Chemical science","2022","13","39","11648","11655","10.1039/d2sc03552a","","","1.54178","CuKα","","0.0425","0.0386","","","0.103","0.1071","","","","","","1.02","","","","has coordinates","278981","2022-11-07","05:20:19",""
"1567649","13.2426","0.0005","7.9314","0.0003","15.6465","0.0005","90","","101.402","0.002","90","","1610.96","0.1","100","","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cr(Cp)(CH(SiMe3)2)Cl]2","di[(bistrimethylsilyl)methyl)(cyclopentadienyl)chromium(chlorido)]","","- C24 H48 Cl2 Cr2 Si4 -","- C24 H48 Cl2 Cr2 Si4 -","- C48 H96 Cl4 Cr4 Si8 -","2","0.5","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.0492","0.0373","","","0.0977","0.1036","","","","","","1.07","","","","has coordinates","278407","2022-10-07","00:48:21",""
"1567650","9.3657","0.0005","16.7589","0.0009","14.5402","0.0009","90","","105.649","0.003","90","","2197.6","0.2","100","2","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","[Cr(tttCp)(Indenyl)]","(1,2,4-tri(tertbutyl)cyclopentadienyl)(indenyl)chromium(II)","","- C26 H36 Cr -","- C26 H36 Cr -","- C104 H144 Cr4 -","4","1","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.03","0.0268","","","0.0683","0.0701","","","","","","1.033","","","","has coordinates","278407","2022-10-07","00:48:22",""
"1567652","22.0567","0.0003","7.5133","0.0001","32.5379","0.0006","90","","109.612","0.002","90","","5079.32","0.15","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 Cl N2 -","- C29.5 H31 Cl N2 -","- C236 H248 Cl8 N16 -","8","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0732","0.0655","","","0.1823","0.1908","","","","","","1.065","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567653","7.8864","0.0003","9.9577","0.0004","15.3148","0.0004","75.304","0.003","85.678","0.003","67.535","0.004","1074.74","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O -","- C27 H26 N2 O -","- C54 H52 N4 O2 -","2","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0432","0.0407","","","0.1111","0.1142","","","","","","1.04","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567654","10.7317","0.0003","5.511","0.0002","27.4878","0.0009","90","","99.361","0.001","90","","1604.05","0.09","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Li, Quanzhe; Gu, Xintao; Wei, Yin; Shi, Min","Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond formation: desulfonylative C(sp<sup>2</sup>)-H functionalization.","Chemical science","2022","13","39","11623","11632","10.1039/d2sc02822k","","","0.71073","MoKα","","0.073","0.063","","","0.1706","0.1848","","","","","","1.031","","","","has coordinates","278980","2022-11-07","05:20:10",""
"1567655","20.6359","0.0004","5.1809","0.0001","27.7349","0.0006","90","","104.528","0.002","90","","2870.4","0.1","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H28 Br4 N4 O4 -","- C24 H28 Br4 N4 O4 -","- C96 H112 Br16 N16 O16 -","4","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1044","0.1031","","0.0666","0.0656","0.0666","","","","","","1.1565","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567656","14.0017","0.0003","8.2362","0.0001","19.1456","0.0004","90","","104.636","0.002","90","","2136.24","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I4 N2 O4 -","- C18 H14 I4 N2 O4 -","- C72 H56 I16 N8 O16 -","4","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0716","0.0694","","0.1791","0.1752","0.1791","","","","","","1.0359","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567657","11.9316","0.0003","12.2715","0.0005","15.2444","0.0007","73.159","0.004","73.857","0.003","79.026","0.003","2037.41","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 I4 N8 -","- C14 H8 I4 N8 -","- C56 H32 I16 N32 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1306","0.1252","","0.1122","0.1083","0.1122","","","","","","1.1626","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567658","7.2152","0.0002","8.0923","0.0003","12.5451","0.0004","87.957","0.003","82.964","0.003","66.841","0.003","668.32","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","1","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0252","0.0245","","0.0703","0.0696","0.0703","","","","","","0.9995","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567659","10.1072","0.0007","11.4012","0.0008","11.5402","0.0009","94.868","0.006","95.841","0.006","112.726","0.007","1208.99","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 F2 N4 O4 -","- C24 H30 F2 N4 O4 -","- C48 H60 F4 N8 O8 -","2","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.076","0.0509","","0.1584","0.1349","0.1584","","","","","","0.9792","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567660","15.5783","0.0002","7.9499","0.0001","29.5587","0.0003","90","","90.3204","0.001","90","","3660.67","0.08","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 Se4 -","- C16 H18 N2 Se4 -","- C128 H144 N16 Se32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0266","0.025","","0.0625","0.0614","0.0625","","","","","","1.0394","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567661","16.0349","0.0003","15.8463","0.0004","19.0464","0.0004","90","","90","","90","","4839.57","0.18","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O4 Se4 -","- C22 H26 N2 O4 Se4 -","- C176 H208 N16 O32 Se32 -","8","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0502","0.0399","","0.119","0.1076","0.119","","","","","","1.0194","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567662","15.105","0.0002","7.8801","0.0001","28.9196","0.0003","90","","90.6804","0.0012","90","","3442.03","0.07","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 S4 -","- C16 H18 N2 S4 -","- C128 H144 N16 S32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0486","0.0418","","0.1183","0.1073","0.1183","","","","","","1.0088","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567663","6.4567","0.0007","8.6728","0.0009","13.3795","0.0013","90","","92.32","0.009","90","","748.61","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F2 N2 Te2 -","- C14 H12 F2 N2 Te2 -","- C28 H24 F4 N4 Te4 -","2","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","0.71073","MoKα","","0.0646","0.0337","","0.0707","0.058","0.0707","","","","","","1.0063","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567664","10.7335","0.0001","10.5743","0.0001","18.0208","0.0001","90","","95.2723","0.0007","90","","2036.69","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 Te4 -","- C16 H18 N2 Te4 -","- C64 H72 N8 Te16 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0263","0.0249","","0.0606","0.06","0.0606","","","","","","0.9937","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567665","4.7183","0.0013","12.508","0.003","13.014","0.004","78.569","0.008","86.876","0.008","82.105","0.008","745.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Br0 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1903","0.0879","","","0.2131","0.2603","","","","","","0.892","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567666","14.7104","0.0007","14.7104","0.0007","23.995","0.002","90","","90","","90","","5192.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H64 N8 O8 -","- C56 H64 N8 O8 -","- C224 H256 N32 O32 -","4","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1962","0.0778","","","0.1959","0.2363","","","","","","0.88","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567667","10.2821","0.0007","10.1551","0.0009","6.3699","0.0005","90","","90","","90","","665.12","0.09","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd S4 Si Sr -","- Cd S4 Si Sr -","- Cd4 S16 Si4 Sr4 -","4","0.5","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0533","0.0594","","","","","","1.204","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567668","12.2216","0.0005","20.5008","0.0009","20.8426","0.001","90","","90","","90","","5222.2","0.4","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Ga2 S4 Sr -","- Ga2 S4 Sr -","- Ga64 S128 Sr32 -","32","1","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0338","0.0228","","","0.0591","0.0627","","","","","","1.174","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567671","8.9115","0.0006","18.9555","0.0013","9.6086","0.0008","90","","104.43","0.003","90","","1571.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3-(furan-2-ylmethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)phenol","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Tavernier, Romain; Granado, Lérys; Tillard, Monique; Van Renterghem, Louis; Métro, Thomas-Xavier; Lamaty, Frédéric; Bonnaud, Leïla; Raquez, Jean-Marie; David, Ghislain; Caillol, Sylvain","Solvent-free synthesis of a formaldehyde-free benzoxazine monomer: study of its curing acceleration effect for commercial benzoxazine","Polymer Chemistry","2022","13","40","5745","5756","10.1039/D2PY00462C","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.1033","0.1067","","","","","","1.036","","","","has coordinates","279028","2022-11-07","05:55:11",""
"1567676","15.0811","0.0006","11.4764","0.0004","18.5521","0.0007","90","","90.197","0.001","90","","3210.9","0.2","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DPMGePh","","- C39 H36 Ge N2 -","- C39 H36 Ge N2 -","- C156 H144 Ge4 N8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0523","0.0383","","","0.1272","0.1336","","","","","","0.938","","","","has coordinates","278976","2022-11-07","05:19:24",""
"1567677","7.9949","0.0005","21.1802","0.0014","19.6152","0.0013","90","","99.409","0.003","90","","3276.8","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(S)Ph","","- C39 H36 Ge N2 S -","- C39 H36 Ge N2 S -","- C156 H144 Ge4 N8 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0953","0.0887","","","0.2482","0.2521","","","","","","1.141","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567678","13.302","0.002","9.7758","0.0016","28.456","0.004","90","","93.909","0.005","90","","3691.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGeN(TMS)2","","- C39 H49 Ge N3 Si2 -","- C39 H49 Ge N3 Si2 -","- C156 H196 Ge4 N12 Si8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.065","0.0507","","","0.1478","0.1643","","","","","","1.123","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567679","13.7954","0.0007","12.2314","0.0006","23.9124","0.0012","90","","90.032","0.002","90","","4034.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(Se)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 Se4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0369","0.0316","","","0.1179","0.1244","","","","","","1.039","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567680","8.0415","0.0003","21.217","0.0008","19.7259","0.0007","90","","99.617","0.001","90","","3318.3","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(Se)Ph","","- C39 H36 Ge N2 Se -","- C39 H36 Ge N2 Se -","- C156 H144 Ge4 N8 Se4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0406","0.0311","","","0.0689","0.0708","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567681","8.9661","0.0006","11.2946","0.0008","19.9064","0.0013","86.969","0.004","77.252","0.004","73.433","0.004","1884.5","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","DPMGe(Se)N(TMS)2","","- C39 H49 Ge N3 Se Si2 -","- C39 H49 Ge N3 Se Si2 -","- C78 H98 Ge2 N6 Se2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1096","0.0903","","","0.2538","0.2706","","","","","","1.069","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567682","8.7695","0.0014","11.3819","0.0019","21.887","0.004","76.889","0.008","86.438","0.008","72.957","0.008","2034.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","DPMGe(S)N(TMS)2","","- C42 H55 Ge N3 S Si2 -","- C42 H55 Ge N3 S Si2 -","- C84 H110 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1019","0.0751","","","0.1963","0.2224","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567683","10.915","0.0003","12.0113","0.0003","17.7694","0.0004","83.36","0.001","76.387","0.001","69.278","0.001","2116.37","0.09","100","2","100","","","","","","","","","8","P -1","-P 1","2","","DPMGe(S)N(TMS)2CuCl","","- C39 H49 Cl Cu Ge N3 S Si2 -","- C39 H49 Cl Cu Ge N3 S Si2 -","- C78 H98 Cl2 Cu2 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0345","0.027","","","0.0643","0.0684","","","","","","1.0408","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567684","14.9611","0.0005","14.0451","0.0005","15.5244","0.0006","90","","107.287","0.001","90","","3114.79","0.19","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DPMGe(S)OEt","","- C35 H36 Ge N2 O S -","- C35 H36 Ge N2 O S -","- C140 H144 Ge4 N8 O4 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0454","0.0317","","","0.0889","0.0942","","","","","","1.0217","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567685","12.3707","0.0004","12.4183","0.0004","16.7015","0.0005","89.009","0.001","74.715","0.001","61.241","0.001","2151.41","0.12","100","2","100","","","","","","","","","8","P -1","-P 1","2","","(DPMGe(S)N(TMS)2CuBr)2","","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","1","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0444","0.0342","","","0.0821","0.0888","","","","","","1.0443","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567686","13.947","0.002","12.306","0.002","23.936","0.004","90","","90.327","0.006","90","","4108.1","1.1","278","2","278","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(S)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 S4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0564","0.0363","","","0.0831","0.0934","","","","","","1.0776","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567695","9.5099","0.0004","9.8152","0.0004","13.7004","0.0005","90","","105.846","0.001","90","","1230.22","0.09","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0586","0.0438","","","0.0939","0.1015","","","","","","1.066","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567696","9.2899","0.0002","10.6993","0.0002","13.1402","0.0003","90","","107.074","0.001","90","","1248.51","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0787","0.05","","","0.1117","0.1254","","","","","","1.048","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567697","10.356","0.003","31.286","0.008","9.517","0.002","90","","108.01","0.004","90","","2932.4","1.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 F2 O2 -","- C36 H36 F2 O2 -","- C144 H144 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1124","0.0667","","","0.1611","0.1882","","","","","","1.055","","","","has coordinates,has disorder","278968","2022-11-07","05:14:07",""
"1567698","13.893","0.003","9.559","0.002","23.43","0.006","90","","98.908","0.013","90","","3074","1.2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 F2 O2 -","- C33 H29 Cl3 F2 O2 -","- C132 H116 Cl12 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1166","0.0857","","","0.2567","0.2958","","","","","","1.025","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567699","26.6644","0.0013","42.3661","0.0013","9.7021","0.0003","90","","104.927","0.002","90","","10590.3","0.7","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 P3 Si3 -","- C48 H57 P3 Si3 -","- C384 H456 P24 Si24 -","8","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1029","0.0642","","","0.1414","0.1576","","","","","","1.039","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567702","7.9494","0.0001","10.2838","0.0001","24.4594","0.0003","90","","90","","90","","1999.56","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0923","0.0935","","","","","","0.986","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567703","10.2503","0.0002","10.2503","0.0002","18.6428","0.0004","90","","90","","120","","1696.35","0.06","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C84 H75 N3 O6 S3 -","3","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0303","0.0299","","","0.0819","0.0828","","","","","","1.046","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567704","9.4589","0.0006","9.3504","0.0005","12.948","0.0008","90","","110.298","0.007","90","","1074.06","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0785","0.0798","","","","","","1.123","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567721","18.8119","0.0002","27.697","0.0002","31.3398","0.0003","90","","90","","90","","16329.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0918","0.0815","","","0.2257","0.2437","","","","","","1.076","","","","has coordinates","278357","2022-10-05","06:09:11",""
"1567722","20.5564","0.0014","25.7288","0.0016","26.0976","0.0017","90","","90","","90","","13802.8","1.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0479","0.0457","","","0.1107","0.1122","","","","","","1.021","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567723","18.4744","0.0002","27.7085","0.0003","31.2344","0.0003","90","","90","","90","","15988.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0882","0.0672","","","0.1685","0.1881","","","","","","1.054","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567724","20.333","0.005","25.812","0.005","26.048","0.005","90","","90","","90","","13671","5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0403","0.0366","","","0.0888","0.0903","","","","","","1.049","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567725","11.1117","0.0002","20.386","0.0003","9.6205","0.0001","90","","107.152","0.002","90","","2082.34","0.06","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F N2 O -","- C26 H26 F N2 O -","- C104 H104 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0516","0.0477","","","0.1235","0.1278","","","","","","1.056","","","","has coordinates","278975","2022-11-07","05:16:24",""
"1567726","38.8063","0.0006","15.6732","0.0003","9.8717","0.0002","90","","90","","90","","6004.15","0.19","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 F O -","- C20 H17 F O -","- C320 H272 F16 O16 -","16","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0394","0.0384","","","0.0993","0.1014","","","","","","1.051","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567727","12.6548","0.0004","7.2987","0.0002","20.6049","0.0006","90","","98.643","0.001","90","","1881.53","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O -","- C23 H19 F N2 O -","- C92 H76 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","0.71073","MoKα","","0.064","0.04","","","0.1107","0.1179","","","","","","1.108","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567728","9.4028","0.0002","19.5701","0.0002","9.3681","0.0002","90","","115.798","0.002","90","","1552.05","0.06","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O -","- C20 H17 Cl O -","- C80 H68 Cl4 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0436","0.0429","","","0.1047","0.1053","","","","","","1.087","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567729","13.8641","0.0002","10.5226","0.0001","12.1171","0.0001","90","","103.029","0.001","90","","1722.21","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O3 -","- C22 H19 F O3 -","- C88 H76 F4 O12 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","x-ray","1.54184","CuKα","","0.0433","0.0402","","","0.1059","0.1086","","","","","","1.065","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567732","9.4288","0.0003","10.4362","0.0003","26.2815","0.0007","90","","96.065","0.003","90","","2571.65","0.13","296.87","0.12","296.87","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C108 H112 N8 O16 S8 -","4","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","x-ray","1.54184","CuKα","","0.0749","0.0639","","","0.1703","0.1898","","","","","","1.021","","","","has coordinates","278972","2022-11-07","05:15:04",""
"1567733","29.5374","0.0019","9.77","0.0005","24.882","0.003","90","","122.932","0.002","90","","6026.7","0.9","302","","302","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O4 S3 -","- C31 H30 N2 O4 S3 -","- C248 H240 N16 O32 S24 -","8","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","","0.71073","MoKα","","0.092","0.0497","","","0.1164","0.1404","","","","","","1.018","","","","has coordinates,has disorder","278972","2022-11-07","05:15:04",""
"1567740","44.352","0.011","18.147","0.004","30.839","0.007","90","","102.49","0.009","90","","24234","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H90 Al8 F72 Ga2 O8 -","- C91.9966 H90 Al8 F71.9923 Ga2 O7.99915 -","- C735.973 H720 Al64 F575.939 Ga16 O63.9932 -","8","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0727","0.0415","","","0.0942","0.1072","","","","","","1.018","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567741","17.181","0.007","21.399","0.006","21.691","0.005","117.464","0.012","90.245","0.014","90.863","0.016","7075","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H66 Al4 F36 Ga N3 O4 -","- C54.996 H66 Al4 F35.991 Ga N3 O3.999 -","- C219.984 H264 Al16 F143.964 Ga4 N12 O15.996 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1249","0.0743","","","0.1716","0.2022","","","","","","1.051","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567742","10.927","0.006","17.637","0.011","19.087","0.01","94.601","0.014","97.945","0.015","98.66","0.03","3582","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.88 H67.67 Al4 F36.06 Ga N3 O3.97 -","- C56.87 H67.665 Al4 F36.045 Ga N3 O3.968 -","- C113.74 H135.33 Al8 F72.09 Ga2 N6 O7.936 -","2","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0869","0.0609","","","0.1469","0.1617","","","","","","1.052","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567743","21.369","0.008","17.024","0.003","21.581","0.007","90","","116.118","0.016","90","","7049","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H66 Al5 F36 N3 O4 -","- C55 H66 Al5 F36 N3 O4 -","- C220 H264 Al20 F144 N12 O16 -","4","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0523","0.0357","","","0.0841","0.094","","","","","","1.026","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567744","16.445","0.006","16.685","0.006","28.346","0.009","80.473","0.015","83.826","0.01","60.715","0.009","6687","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.45 H49.31 Al4 F38.14 Ga O4 -","- C52.454 H49.308 Al4 F38.136 Ga O3.998 -","- C209.816 H197.232 Al16 F152.544 Ga4 O15.992 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0861","0.0553","","","0.1514","0.1746","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567745","22.345","0.017","26.95","0.03","29.77","0.02","88.88","0.03","70.81","0.05","70.94","0.05","15925","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.13 H46.42 Al4 F36.71 O4 Tl -","- C48.1285 H46.4163 Al4 F36.7172 O4.001 Tl -","- C481.285 H464.163 Al40 F367.172 O40.01 Tl10 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1018","0.0583","","","0.141","0.1631","","","","","","1.031","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567746","22.327","0.006","26.903","0.008","29.692","0.009","88.983","0.007","70.929","0.009","70.884","0.007","15847","8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.1 H46.39 Al4 F36.73 In O4 -","- C48.102 H46.3922 Al4 F36.7267 In O4.0034 -","- C481.02 H463.922 Al40 F367.267 In10 O40.034 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0911","0.0622","","","0.1666","0.192","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567748","9.97","0.0004","11.8236","0.0005","13.3559","0.0005","90","","90","","90","","1574.41","0.11","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","2-imidizolidinone","2-imidizolidinone","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C48 H96 N32 O16 -","16","0.5","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0535","0.0524","","","0.1273","0.1285","","","","","","1.136","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567749","5.25069","0.00016","7.8976","0.0003","11.4023","0.0004","82.781","0.003","79.266","0.003","84.108","0.003","459.35","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","","- C3 H10 F6 N3 O P -","- C3 H10 F6 N3 O P -","- C6 H20 F12 N6 O2 P2 -","2","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0718","0.0661","","","0.195","0.2019","","","","","","1.117","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567750","14.6572","0.0004","3.71857","0.00012","20.3958","0.0007","90","","108.778","0.003","90","","1052.48","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0467","0.0415","","","0.1168","0.1222","","","","","","1.041","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567751","24.756","0.0005","4.29","0.0001","17.8827","0.0003","90","","107.988","0.002","90","","1806.37","0.07","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium dinitramide 2-imidizolidinone cocrystal","ammonium dinitramide 2-imidizolidinone cocrystal","","- C3 H10 N6 O5 -","- C3 H10 N6 O5 -","- C24 H80 N48 O40 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0611","0.0587","","","0.188","0.1927","","","","","","1.047","","","","has coordinates,has disorder","278969","2022-11-07","05:14:20",""
"1567752","14.7309","0.0005","3.59237","0.00011","20.2453","0.0007","90","","108.791","0.004","90","","1014.25","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0417","0.0396","","","0.1109","0.1131","","","","","","1.076","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567753","11.4292","0.0005","5.5925","0.0002","11.1451","0.0004","90","","92.547","0.004","90","","711.67","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","","- C2 H6 F6 N2 O P -","- C2 H6 F6 N2 O P -","- C8 H24 F24 N8 O4 P4 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0788","0.0732","","","0.2177","0.2254","","","","","","1.12","","","","has coordinates,has disorder","278969","2022-11-07","05:14:21",""
"1567754","7.67243","0.00012","8.07957","0.00012","24.2351","0.0004","90","","90","","90","","1502.33","0.04","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H8 F6 N3 O P -","- C H8 F6 N3 O P -","- C8 H64 F48 N24 O8 P8 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","x-ray","1.54184","CuKα","","0.0364","0.0339","","","0.0942","0.0964","","","","","","1.059","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567756","14.4807","0.0002","27.8595","0.0005","18.7836","0.0002","90","","90","","90","","7577.77","0.19","173","0.1","173","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C66.95 H108.34 N0.52 O21.95 V6 -","- C66.958 H108.346 N0.523 O21.955 V6 -","- C267.832 H433.384 N2.092 O87.82 V24 -","4","0.5","","Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M.","Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster.","Chemical science","2022","13","43","12726","12737","10.1039/d2sc04843d","","x-ray","1.54184","CuKα","","0.0843","0.0644","","","0.1861","0.2032","","","","","","1.038","","","","has coordinates,has disorder","280168","2023-01-06","09:35:35",""
"1567757","8.092","0.0002","5.9484","0.0001","19.5057","0.0004","90","","98.051","0.002","90","","929.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 F O4 -","- C21 H23 F O4 -","- C42 H46 F2 O8 -","2","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","","1.54184","CuKα","","0.0312","0.0289","","","0.0721","0.0733","","","","","","1.044","","","","has coordinates","278974","2022-11-07","05:16:04",""
"1567758","7.5543","0.0001","10.058","0.0001","28.1125","0.0002","90","","90","","90","","2136.02","0.04","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O4 S2 -","- C23 H21 F O4 S2 -","- C92 H84 F4 O16 S8 -","4","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","x-ray","1.54184","CuKα","","0.0223","0.0223","","","0.0585","0.0586","","","","","","1.097","","","","has coordinates","278974","2022-11-07","05:16:06",""
"1567759","5.7302","0.0007","9.9783","0.0012","11.5048","0.0017","83.662","0.004","89.167","0.005","86.054","0.004","652.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20.2 N2 O2.1 -","- C13 H20.196 N2 O2.098 -","- C26 H40.392 N4 O4.196 -","2","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","0.71073","MoKα","","0.0495","0.0367","","","0.0867","0.092","","","","","","1.045","","","","has coordinates,has disorder","278965","2022-11-07","05:12:47",""
"1567760","11.2115","0.0008","11.5329","0.0009","11.145","0.0008","90","","104.981","0.004","90","","1392.08","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0381","0.0343","","","0.0829","0.0853","","","","","","1.101","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567761","31.0762","0.0014","9.4685","0.0004","12.1756","0.0005","90","","91.156","0.002","90","","3581.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 B F3 N2 O3 -","- C13 H20 B F3 N2 O3 -","- C104 H160 B8 F24 N16 O24 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0504","0.0451","","","0.121","0.124","","","","","","1.051","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567762","16.617","0.0005","11.8972","0.0003","22.9385","0.0007","90","","90","","90","","4534.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H34 N2 O5 S -","- C22 H34 N2 O5 S -","- C176 H272 N16 O40 S8 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0595","0.0525","","","0.1348","0.1402","","","","","","1.05","","","","has coordinates,has disorder","278965","2022-11-07","05:12:48",""
"1567763","4.5926","0.0003","5.6626","0.0004","12.165","0.0008","86.311","0.002","88.909","0.002","81.003","0.002","311.81","0.04","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","1","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0249","0.0228","","","0.0332","0.0334","","","","","","1.053","","","","has coordinates,has disorder","278967","2022-11-07","05:13:42",""
"1567764","4.5711","0.001","12.769","0.003","13.073","0.003","69.971","0.006","89.227","0.006","85.826","0.006","714.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 F N2 S -","- C12 H11 Br2 F N2 S -","- C24 H22 Br4 F2 N4 S2 -","2","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0563","0.0309","","","0.0539","0.0581","","","","","","1.01","","","","has coordinates","278967","2022-11-07","05:13:42",""
"1567775","7.7082","0.0003","12.0888","0.0005","12.3892","0.0005","90","","90","","90","","1154.46","0.08","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.078","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567776","7.0572","0.0006","10.6743","0.0007","15.6753","0.0012","90","","90","","90","","1180.83","0.16","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.031","0.0309","","","0.0781","0.0781","","","","","","1.089","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567779","12.2903","0.0003","13.3012","0.0003","15.6001","0.0003","90","","90","","90","","2550.24","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl Fe O2 P -","- C11 H14 Cl Fe O2 P -","- C88 H112 Cl8 Fe8 O16 P8 -","8","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0257","0.0205","","","0.0487","0.0513","","","","","","1.045","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567780","8.0716","0.0002","22.6406","0.0005","9.6109","0.0002","90","","107.934","0.001","90","","1671.01","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl Fe O4 P -","- C15 H20 Cl Fe O4 P -","- C60 H80 Cl4 Fe4 O16 P4 -","4","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0221","0.0207","","","0.0547","0.0554","","","","","","1.057","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567781","21.4541","0.0005","9.6814","0.0002","23.524","0.0005","90","","90","","90","","4886.07","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 F Fe O2 P -","- C11 H13.928 F Fe O2 P -","- C176 H222.848 F16 Fe16 O32 P16 -","16","2","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0428","0.0323","","","0.081","0.0877","","","","","","1.039","","","","has coordinates,has disorder","280170","2023-01-06","09:35:51",""
"1567786","5.60939","0.0001","10.26643","0.00019","22.2551","0.0004","90","","90","","90","","1281.64","0.04","99.97","0.1","99.97","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0351","0.0348","","","0.091","0.0912","","","","","","1.057","","","","has coordinates","280169","2023-01-06","09:35:42",""
"1567787","5.5419","0.0002","15.3789","0.0005","25.7913","0.0008","90","","90","","90","","2198.15","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0797","0.0709","","","0.1844","0.1917","","","","","","1.063","","","","has coordinates","280169","2023-01-06","09:35:43",""
"1567790","8.4543","0.0009","8.9233","0.0015","9.8274","0.0014","111.704","0.014","98.837","0.011","101.362","0.011","654.12","0.19","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F7 N2 O3 -","- C10 H9 F7 N2 O3 -","- C20 H18 F14 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.1604","0.0649","","","0.1367","0.1834","","","","","","0.986","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567791","7.9519","0.0006","8.3267","0.0006","9.1611","0.0007","82.449","0.006","72.42","0.007","77.031","0.006","562.18","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 F5 N2 O3 -","- C9 H9 F5 N2 O3 -","- C18 H18 F10 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0492","0.0438","","","0.1281","0.1326","","","","","","1.097","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567792","7.832","0.0007","6.1313","0.0005","22.493","0.0017","90","","93.678","0.007","90","","1077.9","0.15","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F5 N -","- C11 H8 F5 N -","- C44 H32 F20 N4 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.0867","0.0566","","","0.128","0.149","","","","","","1.04","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567793","20.3374","0.0007","7.1756","0.0003","14.0098","0.0007","90","","92.999","0.004","90","","2041.69","0.15","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F5 N O5 -","- C20 H18 F5 N O5 -","- C80 H72 F20 N4 O20 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0606","0.0567","","","0.1515","0.1549","","","","","","1.077","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567794","14.2321","0.0001","13.2378","0.0001","14.6287","0.0002","90","","93.153","0.001","90","","2751.9","0.05","100.01","0.11","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 Cu N6.75 O7 -","- C21.5 H25 Cu N6.75 O7 -","- C86 H100 Cu4 N27 O28 -","4","1","","Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.","Chemical science","2022","13","43","12876","12882","10.1039/d2sc04324f","","","1.54184","CuKα","","0.1217","0.1134","","","0.2897","0.296","","","","","","1.051","","","","has coordinates","280167","2023-01-06","09:35:23",""
"1567803","9.4465","0.0005","20.428","0.0008","11.45","0.0007","90","","112.936","0.007","90","","2034.9","0.2","127","2","127.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 F6 N6 O6 S2 -","- C34 H58 F6 N6 O6 S2 -","- C68 H116 F12 N12 O12 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0487","0.041","","","0.1081","0.1127","","","","","","1.047","","","","has coordinates,has disorder","278973","2022-11-07","05:15:48",""
"1567804","8.4164","0.0004","9.9098","0.0003","10.3761","0.0004","101.12","0.003","111.201","0.004","93.802","0.003","782.89","0.06","120","2","120.15","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H54 N6 -","- C32 H54 N6 -","- C32 H54 N6 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0518","0.0441","","","0.1144","0.1189","","","","","","1.064","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567805","11.2729","0.0004","20.2466","0.0007","19.5699","0.0006","90","","92.742","0.003","90","","4461.5","0.3","100.15","","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H56 F9 N6 O9 S3 -","- C35 H56 F9 N6 O9 S3 -","- C140 H224 F36 N24 O36 S12 -","4","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0544","0.0479","","","0.1248","0.1283","","","","","","1.065","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567806","12.7027","0.0003","13.3266","0.0003","14.3241","0.0003","90","","93.044","0.002","90","","2421.42","0.09","101","2","101.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 F12 N6 O12 S4 -","- C36 H56 F12 N6 O12 S4 -","- C72 H112 F24 N12 O24 S8 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0338","0.0309","","","0.0763","0.0778","","","","","","1.03","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567807","7.9568","0.0004","18.1921","0.001","11.2323","0.0007","90","","107.697","0.006","90","","1548.94","0.16","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 -","- C32 H56 N6 -","- C64 H112 N12 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0611","0.0473","","","0.1096","0.1146","","","","","","1.051","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567808","10.2368","0.0004","11.7148","0.0005","20.4531","0.0008","90","","92.856","0.003","90","","2449.73","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 F6 N6 O8 S2 -","- C42 H72 F6 N6 O8 S2 -","- C84 H144 F12 N12 O16 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0733","0.0607","","","0.1634","0.1746","","","","","","1.028","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567809","8.4","0.0005","10.3658","0.0007","20.0368","0.0013","78.183","0.005","79.823","0.005","82.783","0.005","1673.56","0.19","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H56 N6 -","- C33 H56 N6 -","- C66 H112 N12 -","2","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0873","0.0602","","","0.1675","0.1818","","","","","","1.082","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567810","11.5251","0.001","28.9745","0.0015","11.6064","0.0009","90","","119.306","0.011","90","","3379.7","0.6","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 N6 -","- C33 H58 N6 -","- C132 H232 N24 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0805","0.0529","","","0.1333","0.1449","","","","","","1.046","","","","has coordinates","278973","2022-11-07","05:15:51",""
"1567811","9.1161","0.0004","46.1464","0.0016","11.2799","0.0006","90","","105.642","0.005","90","","4569.4","0.4","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 F6 N6 O6 S2 -","- C38 H64 F6 N6 O6 S2 -","- C152 H256 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1226","0.0756","","","0.2015","0.2238","","","","","","1.054","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567812","16.4086","0.0004","22.9375","0.0007","11.3222","0.0003","90","","97.679","0.002","90","","4223.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 F6 N6 O6 S2 -","- C35 H60 F6 N6 O6 S2 -","- C140 H240 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0775","0.0577","","","0.1588","0.1709","","","","","","1.035","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567813","11.1305","0.0003","11.429","0.0003","13.722","0.0004","92.322","0.002","99.653","0.002","113.256","0.002","1570.03","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 F12 N6 O22 S4 -","- C40 H62 F12 N6 O12 S4 -","- C40 H62 F12 N6 O12 S4 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0937","0.0636","","","0.1887","0.2043","","","","","","1.043","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567814","13.7065","0.0005","11.8374","0.0005","32.3229","0.0016","90","","91.669","0.004","90","","5242.1","0.4","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 F9 N7 O9 S3 -","- C41 H65 F9 N7 O9 S3 -","- C164 H260 F36 N28 O36 S12 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1031","0.0641","","","0.1779","0.1938","","","","","","1.068","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567815","27.5528","0.0014","8.4292","0.0005","22.0477","0.0012","90","","90","","90","","5120.5","0.5","297","2","297","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H68 F6 N8 O6 S2 -","- C42 H68 F6 N8 O6 S2 -","- C168 H272 F24 N32 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1046","0.0741","","","0.2041","0.2258","","","","","","1.026","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567816","14.521","0.003","11.291","0.002","30.821","0.006","90","","93.8","0.03","90","","5042.2","1.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 F12 N6 O12.5 S4 -","- C37 H59 F12 N6 O12.5 S4 -","- C148 H236 F48 N24 O50 S16 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1276","0.0548","","","0.1153","0.1442","","","","","","1.04","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567817","8.5649","0.0003","10.4376","0.0003","9.9968","0.0003","90","","98.418","0.001","90","","884.06","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","1","","Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle)","Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters","Chemical Science","2022","13","42","12498","12502","10.1039/D2SC03409C","","x-ray","1.54178","CuKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.071","","","","has coordinates","278970","2022-11-07","05:14:46",""
"1567818","11.3144","0.0019","11.4859","0.0018","12.22","0.002","88.259","0.005","81.481","0.005","65.401","0.004","1427.1","0.4","203.65","","203.65","","","","","","","","","5","P -1","-P 1","2","","MnC30N2S4H32","","- C30 H32 Mn N2 S4 -","- C30 H32 Mn N2 S4 -","- C60 H64 Mn2 N4 S8 -","2","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0878","0.0464","","","0.096","0.1103","","","","","","0.975","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567819","13.8594","0.001","19.0914","0.0013","16.2268","0.0011","90","","103","0.002","90","","4183.5","0.5","200","2","200.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mn N4 O S4 -","- C44 H47 Mn N4 O S4 -","- C176 H188 Mn4 N16 O4 S16 -","4","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0623","0.0468","","","0.1225","0.1375","","","","","","1.048","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567832","6.2055","0.0017","11.319","0.003","32.886","0.009","89.884","0.003","85.258","0.004","89.848","0.004","2302","1.1","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","HX-5181","","- C28 H33 N2 O -","- C28 H32 N2 O -","- C112 H128 N8 O4 -","4","2","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0995","0.0728","","","0.1952","0.2062","","","","","","1.066","","","","has coordinates","301209","2025-07-10","11:18:50",""
"1567833","32.848","0.015","32.848","0.015","10.842","0.009","90","","90","","120","","10131","11","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","HX-91","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C450 H342 N18 O36 -","18","1","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0767","0.0504","","","0.1233","0.145","","","","","","1.014","","","","has coordinates","301209","2025-07-10","11:18:50",""
"1567834","9.4143","0.0014","14.69","0.002","13.927","0.002","90","","106.73","0.002","90","","1844.5","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","hx-523","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0568","0.0385","","","0.0906","0.1002","","","","","","1.021","","","","has coordinates","301209","2025-07-10","11:18:50",""
"1567835","9.497","0.0007","14.1349","0.001","16.2663","0.0011","77.872","0.006","89.269","0.006","87.51","0.006","2132.8","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O6 -","- C21 H27 N3 O6 -","- C84 H108 N12 O24 -","4","2","","Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun","Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates.","Chemical science","2022","13","44","13141","13146","10.1039/d2sc04720a","","x-ray","0.71073","MoKα","","0.0967","0.0709","","","0.1756","0.1955","","","","","","1.03","","","","has coordinates,has disorder","280162","2023-01-06","09:33:47",""
"1567861","9.2497","0.0006","9.6644","0.0002","32.938","0.0007","90.062","0.002","92.44","0.003","104.738","0.004","2844.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H37 N3 O6 -","- C31 H37 N3 O6 -","- C124 H148 N12 O24 -","4","4","","Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi","An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide","Polymer Chemistry","2022","13","44","6223","6228","10.1039/D2PY01072K","","","1.54184","CuKα","","0.1422","0.1174","","","0.3321","0.3486","","","","","","1.406","","","","has coordinates","280222","2023-01-06","10:06:10",""
"1567867","8.2809","0.0007","22.5668","0.0016","16.3964","0.0018","90","","103.932","0.008","90","","2973.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","",";","","- C28 H37 Cl4 P -","- C28 H37 Cl4 P -","- C112 H148 Cl16 P4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","","0.71073","MoKα","","0.1398","0.0988","","","0.2768","0.3098","","","","","","1.054","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567868","8.8604","0.0009","17.881","0.002","18.306","0.0019","90","","95.479","0.004","90","","2887","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl2 N O Ru -","- C31 H43 Cl2 N O Ru -","- C124 H172 Cl8 N4 O4 Ru4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0401","0.0315","","","0.0688","0.0733","","","","","","0.959","","","","has coordinates,has disorder","281311","2023-03-04","17:35:34",""
"1567869","10.4383","0.0014","12.2309","0.0016","13.85","0.002","99.897","0.005","93.661","0.005","99.297","0.005","1711.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H49 Cl4 N O Ru -","- C34 H49 Cl4 N O Ru -","- C68 H98 Cl8 N2 O2 Ru2 -","2","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0799","0.0604","","","0.1505","0.1676","","","","","","1.014","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567870","15.6535","0.0012","12.8229","0.0009","17.9202","0.0015","90","","100.381","0.004","90","","3538.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 N O Ru S2 -","- C36 H45 Cl2 N O Ru S2 -","- C144 H180 Cl8 N4 O4 Ru4 S8 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1636","0.1108","","","0.2393","0.277","","","","","","1.052","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567871","8.7486","0.0006","19.3141","0.0012","43.739","0.003","90","","90","","90","","7390.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cl2 N2 O3 Ru -","- C35 H44 Cl2 N2 O3 Ru -","- C280 H352 Cl16 N16 O24 Ru8 -","8","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1072","0.0768","","","0.1562","0.1668","","","","","","1.039","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567872","17.3665","0.0011","11.5707","0.0006","17.4342","0.0011","90","","115.407","0.002","90","","3164.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N2 O3 Ru -","- C33 H40 Cl2 N2 O3 Ru -","- C132 H160 Cl8 N8 O12 Ru4 -","4","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0335","0.0275","","","0.0545","0.0567","","","","","","1.042","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567877","10.507","0.005","13.045","0.006","16.585","0.008","81.696","0.006","80.885","0.006","84.254","0.006","2214","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 Ni P4 -","- C52 H52 Ni P4 -","- C104 H104 Ni2 P8 -","2","1","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.1285","0.1119","","","0.3004","0.3129","","","","","","0.953","","","","has coordinates","280171","2023-01-06","09:35:58",""
"1567878","9.345","0.008","15.097","0.013","9.749","0.008","90","","113.171","0.01","90","","1264.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Ni P2 -","- C26 H26 Cl2 Ni P2 -","- C52 H52 Cl4 Ni2 P4 -","2","0.5","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.0364","0.0299","","","0.065","0.0673","","","","","","1.049","","","","has coordinates","280171","2023-01-06","09:35:59",""
"1567882","20.902","0.0001","20.902","0.0001","20.902","0.0001","90","","90","","90","","9131.95","0.08","273.15","","273.15","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","NU-1306","","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","1","0.0416667","","Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K.","Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis.","Chemical science","2022","13","44","13032","13039","10.1039/d2sc04783g","","","1.54178","CuKα","","0.0695","0.0668","","","0.1786","0.1825","","","","","","1.114","","","","has coordinates","280164","2023-01-06","09:34:24",""
"1567883","12.7371","0.0003","14.2679","0.0004","22.1844","0.0006","101.261","0.002","93.525","0.002","116.025","0.002","3503.18","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H76 B2 Cl2 Dy N7 O -","- C81 H76 B2 Cl2 Dy N7 O -","- C162 H152 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0913","0.0573","","","0.1483","0.1688","","","","","","0.897","","","","has coordinates","280160","2023-01-06","09:33:27",""
"1567884","14.0388","0.0002","14.481","0.0002","21.4518","0.0003","91.27","0.001","97.279","0.001","111.868","0.001","4003.23","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 B2 Cl2 Dy N7 O -","- C86 H78 B2 Cl2 Dy N7 O -","- C172 H156 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0707","0.047","","","0.1071","0.1173","","","","","","1.075","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567885","23.6641","0.0007","14.1103","0.0004","21.3612","0.0006","90","","96.266","0.002","90","","7090.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H71 B2 Cl Dy N7 -","- C79 H71 B2 Cl Dy N7 -","- C316 H284 B8 Cl4 Dy4 N28 -","4","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.1654","0.0598","","","0.0697","0.0842","","","","","","0.986","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567894","26.1224","0.0008","8.3077","0.0003","18.9832","0.0006","90","","106.476","0.002","90","","3950.5","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CzDBA","9,10-bis(4-(9H-carbazol-9-yl)-2,6-dimethylphenyl)-9,10-diboraanthracene","","- C52 H40 B2 N2 -","- C52 H40 B2 N2 -","- C208 H160 B8 N8 -","4","0.5","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.0782","0.0558","","","0.1639","0.1786","","","","","","1.018","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567895","27.7304","0.0012","9.0103","0.0004","18.61","0.0008","90","","98.171","0.002","90","","4602.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iCzDBA","5,10-bis(4-(9H-carbazol-9-yl)-2,6-diisopropylphenyl)-5,10-diboranthrene","","- C60 H56 B2 N2 -","- C60 H56 B2 N2 -","- C240 H224 B8 N8 -","4","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","1.54178","CuKα","","0.0404","0.0381","","","0.0961","0.0981","","","","","","1.026","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567896","9.5981","0.0005","11.916","0.0005","25.0597","0.0011","85.521","0.002","89.469","0.002","89.876","0.002","2857.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tBuCzDBA","5,10-bis(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-5,10-diboranthrene","","- C68 H72 B2 N2 -","- C68 H72 B2 N2 -","- C136 H144 B4 N4 -","2","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.1122","0.0679","","","0.1756","0.2002","","","","","","1.044","","","","has coordinates,has disorder","280166","2023-01-06","09:34:53",""
"1567901","25.3169","0.0018","15.0051","0.0011","19.9071","0.0015","90","","94.325","0.003","90","","7540.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th0.999 -","- C528 H224 N16 Ni4 Th3.996 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0782","0.0567","","","0.1366","0.1474","","","","","","1.03","","","","has coordinates,has disorder","280163","2023-01-06","09:34:08",""
"1567902","25.261","0.002","14.9722","0.0011","19.9879","0.0017","90","","94.646","0.004","90","","7534.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th1.001 -","- C528 H224 N16 Ni4 Th4.004 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0914","0.0773","","","0.2098","0.223","","","","","","1.061","","","","has coordinates,has disorder","280163","2023-01-06","09:34:10",""
"1567964","10.8668","0.0011","9.9356","0.0009","17.4186","0.0018","90","","105.376","0.004","90","","1813.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br P -","- C21 H20 Br P -","- C84 H80 Br4 P4 -","4","1","","Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo","A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides","Polymer Chemistry","2022","13","47","6551","6563","10.1039/D2PY01001A","","","0.71073","MoKα","","0.1057","0.0695","","","0.1626","0.1754","","","","","","1.076","","","","has coordinates","280223","2023-01-06","10:06:20",""
"1567965","11.3364","0.0013","10.3332","0.0012","18.1348","0.0018","90","","104.699","0.003","90","","2054.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br P -","- C22 H22 Br P -","- C88 H88 Br4 P4 -","4","1","","Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo","A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides","Polymer Chemistry","2022","13","47","6551","6563","10.1039/D2PY01001A","","","0.71073","MoKα","","0.1062","0.0553","","","0.126","0.1463","","","","","","1.044","","","","has coordinates,has disorder","280223","2023-01-06","10:06:20",""
"1567995","10.862","0.002","19.566","0.004","12.2","0.002","90","","111.654","0.01","90","","2409.8","0.8","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","compound [RhCl(L1)(P(Ad)2(n-Bu))]","","- C45 H61 Cl4 N O3 P Rh -","- C45 H61 Cl4 N O3 P Rh -","- C90 H122 Cl8 N2 O6 P2 Rh2 -","2","1","","Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael","Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules","Catalysis Science & Technology","2023","13","2","410","425","10.1039/D2CY01578A","","","0.71073","MoKα","","0.0575","0.0457","","","0.1091","0.1155","","","","","","1.041","","","","has coordinates,has disorder","281310","2023-03-04","17:35:18",""
"1568329","8.1655","0.0001","10.6042","0.0001","14.4716","0.0001","90","","102.495","0.001","90","","1223.4","0.02","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N -","- C12 H18 Br N -","- C48 H72 Br4 N4 -","4","1","","Stroek, Wowa; Hoareau, Lilian; Albrecht, Martin","From the bottle: simple iron salts for the efficient synthesis of pyrrolidines <i>via</i> catalytic C-H bond amination.","Catalysis science & technology","2023","13","4","958","962","10.1039/d2cy02065c","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.109","0.1092","","","","","","1.077","","","","has coordinates","281309","2023-03-04","17:35:09",""
"1568382","13.6976","0.0006","23.8148","0.0012","20.2227","0.0008","90","","98.742","0.002","90","","6520.1","0.5","117","2","117","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 B F24 Fe N3 O2 P2 -","- C60 H63 B F24 Fe N3 O2 P2 -","- C240 H252 B4 F96 Fe4 N12 O8 P8 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.1019","0.0828","","","0.1636","0.1725","","","","","","1.112","","","","has coordinates,has disorder","282244","2023-04-04","09:28:05",""
"1568383","12.158","0.001","17.5241","0.0008","19.0088","0.0015","90","","90","","90","","4050","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 K N O4 P2 Ru -","- C36 H68 K N O4 P2 Ru -","- C144 H272 K4 N4 O16 P8 Ru4 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.0669","0.0449","","","0.0849","0.0924","","","","","","1.132","","","","has coordinates,has disorder","282244","2023-04-04","09:28:13",""
"1568404","20.6469","0.0002","23.6627","0.0003","24.8965","0.0003","64.38","0.001","69.27","0.001","68.88","0.001","9942.9","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","FePcNFePpcI3","","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C370 H242 Cl78 Fe8 I12 N60 -","5","2.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro","Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine","Catalysis Science & Technology","2023","13","6","1725","1734","10.1039/D2CY01980A","","x-ray","0.71073","MoKα","","0.1465","0.1207","","","0.3236","0.3581","","","","","","1.1096","","","","has coordinates,has disorder","282246","2023-04-04","09:30:28",""
"1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22",""
"1568561","10.1596","0.0007","11.7047","0.0008","16.363","0.0011","90","","90","","90","","1945.8","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl N3 O6 Ru -","- C16 H28 Cl N3 O6 Ru -","- C64 H112 Cl4 N12 O24 Ru4 -","4","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0247","0.0239","","","0.0525","0.0528","","","","","","1.142","","","","has coordinates","282243","2023-04-04","09:26:41",""
"1568562","15.4589","0.001","13.1592","0.0008","17.7332","0.0011","90","","98.356","0.002","90","","3569.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl N2 O3.5 Ru -","- C16 H28 Cl N2 O3.5 Ru -","- C128 H224 Cl8 N16 O28 Ru8 -","8","2","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0238","0.0195","","","0.0455","0.0468","","","","","","1.078","","","","has coordinates","282243","2023-04-04","09:26:50",""
"1568580","8.916","0.0007","11.0941","0.001","12.5663","0.001","94.783","0.003","103.724","0.003","107.064","0.003","1138.58","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1098","0.0609","","","0.1266","0.1406","","","","","","1.002","","","","has coordinates","281625","2023-03-05","01:55:59",""
"1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10",""
"1568582","15.2564","0.001","16.0253","0.0011","23.0757","0.0015","90.355","0.003","93.137","0.003","98.235","0.003","5574.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H50 Cu F3 N2 O3 P2 S -","- C63 H50 Cu F3 N2 O3 P2 S -","- C252 H200 Cu4 F12 N8 O12 P8 S4 -","4","2","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1369","0.0788","","","0.2088","0.2374","","","","","","1.047","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568583","16.7053","0.0012","14.7608","0.0011","22.8229","0.0017","90","","95.361","0.002","90","","5603.1","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H51 Cl3 Cu N3 O3 P2 -","- C63 H51 Cl3 Cu N3 O3 P2 -","- C252 H204 Cl12 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1452","0.0728","","","0.1987","0.2296","","","","","","1.093","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16",""
"1568585","13.2253","0.0004","13.2253","0.0004","40.325","0.0019","90","","90","","90","","7053.2","0.4","296","2","296","2","","","","","","","","7","P 41","P 4w","76","","","","- C69 H61 Cl9 Cu N3 O3 P2 -","- C69 H61 Cl9 Cu N3 O3 P2 -","- C276 H244 Cl36 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0778","0.0611","","","0.1616","0.17","","","","","","0.997","","","","has coordinates","281625","2023-03-05","01:56:17",""
"1568586","6.3088","0.0001","6.3088","0.0001","12.3067","0.0004","90","","90","","120","","424.195","0.017","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le","Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone","Crystals","2023","13","2","287","","10.3390/cryst13020287","","","0.71073","MoKα","","0.0449","0.0415","","","0.0847","0.0885","","","","","","1.257","","","","has coordinates","281626","2023-03-05","03:27:49",""
"1568587","8.0553","0.0003","3.7295","0.0002","7.3674","0.0003","90","","90","","90","","221.333","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0134","0.012","","","0.0257","0.0264","","","","","","1.0159","","","","has coordinates","281627","2023-03-05","03:29:23",""
"1568588","8.0405","0.0004","3.7238","0.0002","7.3585","0.0004","90","","90","","90","","220.32","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0133","0.0133","","","0.0329","0.0329","","","","","","1.0526","","","","has coordinates","281627","2023-03-05","03:29:33",""
"1568589","6.5628","0.0004","7.033","0.0004","8.7326","0.0006","90","","96.723","0.006","90","","400.29","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0186","0.0175","","","0.0396","0.04","","","","","","0.9955","","","","has coordinates","281627","2023-03-05","03:29:45",""
"1568590","6.5579","0.0002","7.0244","0.0003","8.7291","0.0003","90","","96.702","0.004","90","","399.36","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0295","0.0276","","","0.0824","0.0843","","","","","","1.0438","","","","has coordinates","281627","2023-03-05","03:29:53",""
"1568591","5.8633","0.0004","6.8363","0.0006","16.0587","0.0016","79.338","0.011","81.318","0.009","82.834","0.006","622.21","0.1","293.15","","293.15","","","","","","","","Synthesis","4","P -1","-P 1","2","Calcium sebacate","Calcium decanedioate monohydrate","","- C10 H18 Ca O5 -","- C10 H18 Ca O5 -","- C20 H36 Ca2 O10 -","2","1","","Lopresti, Mattia; Milanesio, Marco; Palin, Luca","The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data","Crystals","2023","13","2","261","","10.3390/cryst13020261","powder diffraction","x-ray","1.54175","CuKα","","3.851","","","","","","","","14.065","","","","","","","has coordinates","281628","2023-03-05","03:31:03",""
"1568592","21.211","0.0017","3.7625","0.0003","13.9555","0.0011","90","","107.653","0.003","90","","1061.29","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","","Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V.","Solubility and Crystallization Studies of Picolinic Acid","Crystals","2023","13","3","392","","10.3390/cryst13030392","","","0.71073","MoKα","","0.0835","0.0632","","","0.1481","0.1565","","","","","","1.095","","","","has coordinates","281629","2023-03-05","03:31:48",""
"1568598","13.3722","0.0015","13.3488","0.0018","21.585","0.003","92.345","0.006","90.153","0.008","120.34","0.03","3321.3","1.3","303","2","303","2","","","","","","","Buca della Vena mine, Italy","4","P 1","P 1","1","","","bohuslavite","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","1","1","","Mauro, Daniela; Biagioni, Cristian","New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O","Minerals","2023","13","2","286","","10.3390/min13020286","","","0.71073","MoKα","","0.1968","0.1498","","","0.4013","0.4527","","","","","","1.089","","","","has coordinates","281633","2023-03-05","20:51:18",""
"1568626","41.7016","0.0013","15.1215","0.0005","19.8592","0.0005","90","","90","","90","","12523","0.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H20 Co O5 P2 -","- C27 H20 Co O5 P2 -","- C432 H320 Co16 O80 P32 -","16","1","","Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias","An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors","Catalysis Science & Technology","2023","13","8","2475","2479","10.1039/D3CY00066D","","","1.54178","CuKα","","0.0551","0.0502","","","0.1279","0.1317","","","","","","1.018","","","","has coordinates,has disorder","283006","2023-05-04","23:54:29",""
"1568705","19.3515","0.0014","10.4522","0.0008","11.307","0.0009","90","","90","","90","","2287","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H18 Cl4 N4 Ni O2 -","- C21 H18 Cl4 N4 Ni O2 -","- C84 H72 Cl16 N16 Ni4 O8 -","4","1","","Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar","Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst","Catalysis Science & Technology","2023","13","9","2705","2713","10.1039/D3CY00090G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0575","0.061","","","","","","1.071","","","","has coordinates","284161","2023-06-05","03:21:05",""
"1568723","6.4445","0.0015","11.458","0.003","13.656","0.003","80.205","0.007","85.649","0.007","82.844","0.007","984.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C36 H54 B2 N4 O8 S2 -","2","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.1182","0.0892","","","0.2382","0.2708","","","","","","1.022","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26",""
"1568724","12.029","0.003","14.49","0.004","11.877","0.003","90","","95.143","0.007","90","","2061.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C72 H108 B4 N8 O16 S4 -","4","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.117","0.0875","","","0.2466","0.2773","","","","","","1.041","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26",""
"1568765","12.8925","0.0004","7.8461","0.0002","15.2747","0.0005","90","","100.851","0.003","90","","1517.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 4-phenyl-2-(pyrrolidin-1-yl)thiophene-3-carboxylate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.041","0.0369","","","0.098","0.1026","","","","","","1.06","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568766","8.8717","0.0004","8.9788","0.0004","10.5747","0.0004","100.966","0.004","100.107","0.004","93.879","0.004","809.68","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","ethyl 5-(4-nitrophenyl)-3-phenylisothiazole-4-carboxylate","","- C9 H7 N O2 S0.5 -","- C9 H7 N O2 S0.5 -","- C36 H28 N4 O8 S2 -","4","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.0482","0.0386","","","0.0845","0.0905","","","","","","1.071","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568767","11.0494","0.0002","10.37004","0.00019","26.5033","0.0005","90","","100.257","0.0019","90","","2988.28","0.1","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-phenyl-5-(pyrrolidin-1-yl)isothiazole-4-carboxylate","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C128 H144 N16 O16 S8 -","8","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.1463","0.0927","","","0.1795","0.1954","","","","","","1.174","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568768","9.7409","0.0001","7.7066","0.0001","21.1913","0.0002","90","","91.38","0.001","90","","1590.35","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-(cyclopentanecarbonothioyl)-3-phenylbutanoate","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.1184","0.1224","","","","","","1.0802","","","","has coordinates","284162","2023-06-05","03:21:25",""
"1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38",""
"1568783","8.8038","0.0006","16.3659","0.0012","19.8889","0.0013","90","","91.557","0.001","90","","2864.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex1","","","- C22 H28 Cl Cu Ho N6 O10 -","- C22 H28 Cl Cu Ho N6 O10 -","- C88 H112 Cl4 Cu4 Ho4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1692","0.0901","","","0.1761","0.2156","","","","","","0.865","","","","has coordinates","282349","2023-04-04","13:05:19",""
"1568784","8.8191","0.0007","16.5598","0.0014","20.0787","0.0018","90","","91.748","0.002","90","","2931","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C22 H28 Cl Cu Gd N6 O10 -","- C22 H28 Cl Cu Gd N6 O10 -","- C88 H112 Cl4 Cu4 Gd4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1819","0.0822","","","0.1644","0.2086","","","","","","0.788","","","","has coordinates","282350","2023-04-04","13:05:48",""
"1568826","19.3447","0.0015","19.3447","0.0015","10.3928","0.001","90","","90","","90","","3889.2","0.6","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H17 Li O2 -","- C8 H17 Li O2 -","- C128 H272 Li16 O32 -","16","1","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0649","0.0511","","","0.1476","0.1601","","","","","","1.033","","","","has coordinates,has disorder","284160","2023-06-05","03:20:35",""
"1568827","8.1843","0.0017","11.066","0.003","13.037","0.003","113.372","0.007","102.438","0.007","98.398","0.008","1022.5","0.4","100","","100","","","","","","","","THF","5","P -1","-P 1","2","","","","- C8 H17 Li O S -","- C8 H17 Li O S -","- C32 H68 Li4 O4 S4 -","4","2","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0772","0.0535","","","0.1133","0.1221","","","","","","1.062","","","","has coordinates,has disorder","284160","2023-06-05","03:20:39",""
"1568859","9.848","0.0004","11.6412","0.0005","14.0807","0.0006","71.591","0.004","74.372","0.004","75.139","0.004","1448.83","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 N3 O P Pd S -","- C32 H26 N3 O P Pd S -","- C64 H52 N6 O2 P2 Pd2 S2 -","2","1","","Clinton, Savarimuthu Selvan; Ramesh, Rengan; Malecki, Jan Grzegorz","Orthometallated Pd(ii) C^N^S pincer complex catalyzed sustainable synthesis of bis(indolyl)methanes via acceptorless dehydrogenative coupling of alcohols","Catalysis Science & Technology","2023","13","11","3358","3365","10.1039/D3CY00333G","","x-ray","0.71073","MoKα","","0.0653","0.0387","","","0.0761","0.0887","","","","","","1.044","","","","has coordinates","284827","2023-07-05","08:25:09",""
"1568889","9.374","0.002","8.2061","0.0018","10.172","0.002","90","","90.621","0.01","90","","782.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N4 O4 Zn -","- C12 H18 N4 O4 Zn -","- C24 H36 N8 O8 Zn2 -","2","1","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions","Catalysis Science & Technology","2023","13","11","3344","3350","10.1039/D3CY00401E","","","1.54178","CuKα","","0.0362","0.0346","","","0.0951","0.1005","","","","","","1.238","","","","has coordinates","284828","2023-07-05","08:26:03",""
"1569035","7.8725","0.0004","10.9122","0.0006","15.6053","0.0008","103.034","0.002","96.915","0.002","92.46","0.002","1293.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5,3',5'- tetrabromo-[4,4']bipyridine","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","2","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0551","0.0417","","","0.1003","0.1069","","","","","","1.038","","","","has coordinates","283520","2023-05-05","11:23:03",""
"1569036","18.3716","0.001","11.4111","0.0006","13.2287","0.0012","90","","132.282","0.002","90","","2051.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 Co N4 O8 -","- C12 H12 Br4 Co N4 O8 -","- C48 H48 Br16 Co4 N16 O32 -","4","0.5","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0433","0.0324","","","0.0758","0.079","","","","","","1.019","","","","has coordinates","283521","2023-05-05","11:23:27",""
"1569037","8.0769","0.0006","8.5225","0.0006","12.5476","0.0009","99.941","0.006","96.608","0.006","93.121","0.006","842.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N S3 -","- C15 H22 Br N S3 -","- C30 H44 Br2 N2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.047","0.0352","","","0.0687","0.0753","","","","","","1.047","","","","has coordinates","283522","2023-05-05","11:23:47",""
"1569038","8.5163","0.0009","9.5058","0.001","14.5582","0.0015","73.29","0.01","89.59","0.01","85.96","0.01","1125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O3 S3 -","- C16 H23 Cl3 N2 O3 S3 -","- C32 H46 Cl6 N4 O6 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0751","0.0489","","","0.1326","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283523","2023-05-05","11:24:16",""
"1569039","8.4811","0.0006","9.8093","0.0007","11.8739","0.0009","99.469","0.002","99.016","0.002","93.623","0.002","958.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N2 O S3 -","- C18 H23 Cl N2 O S3 -","- C36 H46 Cl2 N4 O2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0338","0.0295","","","0.0775","0.0793","","","","","","1.066","","","","has coordinates","283524","2023-05-05","11:24:38",""
"1569066","5.2524984878","","6.3202611905","","13.523442891","","89.662","","100.131","","91.0107","","441.87","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H6 Cu O12 Zn4 -","- C2 H6 Cu O12 Zn4 -","- C4 H12 Cu2 O24 Zn8 -","2","1","","Santamaría-Pérez, David; Chuliá-Jordán, Raquel; Otero-de-la-Roza, Alberto; Oliva, Robert; Popescu, Catalin","High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral","Minerals","2023","13","5","619","","10.3390/min13050619","","","","","","","","","","","","","","","","","","","","","has coordinates","283541","2023-05-05","23:50:23",""
"1569186","8.874","0.017","16.683","0.012","16.979","0.012","118.128","0.004","102.945","0.004","94.354","0.006","2112","5","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C92 H74 Br4 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0876","0.0666","","","0.186","0.1993","","","","","","1.031","","","","has coordinates,has disorder","284830","2023-07-05","08:28:05",""
"1569187","8.889","0.0018","14.156","0.003","16.604","0.003","99.93","0.003","100.826","0.003","95.15","0.003","2005.2","0.7","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H41 N Ni O P2 S2 -","- C47 H41 N Ni O P2 S2 -","- C94 H82 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0941","","","","","","1.037","","","","has coordinates","284830","2023-07-05","08:28:31",""
"1569189","9.9901","0.0002","9.9901","0.0002","15.6499","0.0004","90","","90","","90","","1561.89","0.06","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C9 H21 Br3 N4 -","- C9 H21 Br3 N4 -","- C36 H84 Br12 N16 -","4","0.5","","Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.","Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts","Catalysis Science & Technology","2023","13","11","3245","3257","10.1039/D3CY00270E","","x-ray","0.71073","MoKα","","0.0551","0.036","","","0.0514","0.0556","","","","","","1.06","","","","has coordinates","284829","2023-07-05","08:27:18",""
"1569260","10.7816","0.0003","16.045","0.0005","21.2485","0.0007","90","","100.265","0.003","90","","3617","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl5 N O Ru -","- C36 H46 Cl5 N O Ru -","- C144 H184 Cl20 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Purohit, Vishal; Grela, Karol; Kajetanowicz, Anna","Aza-Claisen rearrangement as a key step in synthesis of specialised anilines used in the production of efficient ethenolysis catalysts","Catalysis Science & Technology","2023","13","12","3682","3688","10.1039/D3CY00395G","","x-ray","0.71073","MoKα","","0.037","0.03","","","0.0688","0.0736","","","","","","1.058","","","","has coordinates","284831","2023-07-05","08:29:43",""
"1569261","10.7492","0.0009","21.4852","0.0019","8.9772","0.0006","90","","94.765","0.003","90","","2066.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N3 O2 -","- C20 H21 Br2 N3 O2 -","- C80 H84 Br8 N12 O8 -","4","1","","Zhang, Xiao; Bai, Fan; Li, Miaomiao; Ru, Huihui; Wang, Lanzhi","NiFe2O4@SiO2@PrNH2–DPA–CeCl3: a cerium-based magnetic nano dual-acid catalyst with high efficacy and recyclability for domino sequential synthesis of lactam ring-fused 1,5-benzodiazepines","Catalysis Science & Technology","2023","13","13","3987","3999","10.1039/D2CY01778D","","","0.71073","MoKα","","0.1239","0.0675","","","0.1806","0.2001","","","","","","1.056","","","","has coordinates","285460","2023-08-05","08:33:40",""
"1569275","7.3487","0.0001","7.3487","0.0001","4.7247","0.0001","90","","90","","90","","255.15","0.007","290.44","0.1","290.44","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- B2 Cd Ga O7 Tb -","- B2 Cd Ga O7 Tb -","- B4 Cd2 Ga2 O14 Tb2 -","2","0.25","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors","RSC Advances","2023","13","24","16272","16284","10.1039/D3RA03002D","","x-ray","0.71073","MoKα","","0.0236","0.0221","","","0.0443","0.0449","","","","","","1.092","","","","has coordinates","284346","2023-06-05","05:02:38",""
"1569279","16.4311","0.001","8.03","0.0003","11.2057","0.0007","90","","104.651","0.002","90","","1430.43","0.14","296.15","","296.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","0.5","","Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S.","Additive-Assisted Crystallization of 9,10-Diphenylanthracene","Crystals","2023","13","6","861","","10.3390/cryst13060861","","","0.71073","MoKα","","0.083","0.0506","","","0.1181","0.1434","","","","","","1.025","","","","has coordinates","284352","2023-06-05","12:26:09",""
"1569288","5.8966","0.0005","14.2652","0.0011","7.4117","0.0006","90","","98.338","0.002","90","","616.85","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","2","","Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai","Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening","Catalysis Science & Technology","2023","13","13","3953","3962","10.1039/D3CY00366C","","","1.54178","CuKα","","0.0338","0.0337","","","0.0841","0.0842","","","","","","1.116","","","","has coordinates","284826","2023-07-05","08:24:39",""
"1569289","12.4705","0.0002","14.3086","0.0003","17.1528","0.0003","103.775","0.002","95.912","0.002","101.539","0.002","2875.84","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 Au2 N6 O -","- C62 H62 Au2 N6 -","- C124 H124 Au4 N12 -","2","1","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","1.54184","CuKα","","0.0574","0.0391","","","0.0823","0.0892","","","","","","1.008","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569290","27.2565","0.0003","17.0998","0.0002","52.008","0.0006","90","","101.377","0.001","90","","23763.6","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","XM487-2","","- C56 H50 Au2 N6 -","- C56 H50 Au2 N6 -","- C1120 H1000 Au40 N120 -","20","2.5","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","0.71073","MoKα","","0.0842","0.0583","","","0.0932","0.1014","","","","","","1.031","","","","has coordinates","285461","2023-08-05","08:34:02",""
"1569291","15.201","0.0018","9.7668","0.0012","13.4419","0.0016","90","","90","","90","","1995.7","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dibutyldibut-3-enylammonium hexafluorophosphate","","- C16 H32 F6 N P -","- C16 H32 F6 N P -","- C64 H128 F24 N4 P4 -","4","0.5","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.1111","0.0867","","","0.2361","0.2583","","","","","","1.055","","","","has coordinates,has disorder","284825","2023-07-05","08:24:15",""
"1569292","9.4663","0.0013","13.2301","0.0018","14.178","0.002","90","","93.998","0.002","90","","1771.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibutyldiallylammonium hexafluorophosphate","","- C14 H28 F6 N P -","- C14 H28 F6 N P -","- C56 H112 F24 N4 P4 -","4","1","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.0417","0.0331","","","0.0844","0.089","","","","","","1.045","","","","has coordinates","284825","2023-07-05","08:24:16",""
"1569440","9.4337","0.0003","19.5412","0.0006","10.7349","0.0003","90","","100.794","0.003","90","","1943.92","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 Si -","- C7 H13 N3 Si -","- C56 H104 N24 Si8 -","8","2","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0495","0.0367","","","0.0876","0.0957","","","","","","1.097","","","","has coordinates","284989","2023-07-05","18:38:08",""
"1569441","8.6757","0.0004","8.874","0.0004","9.0989","0.0004","64.211","0.003","75.463","0.003","79.194","0.003","608.08","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N6 Si -","- C10 H14 N6 Si -","- C20 H28 N12 Si2 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0336","0.0308","","","0.077","0.0792","","","","","","1.08","","","","has coordinates","284989","2023-07-05","18:38:09",""
"1569442","10.064","0.0003","11.1921","0.0003","18.6757","0.0005","72.898","0.002","89","0.002","63.346","0.002","1780.7","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N18 O Si2 -","- C30 H38 N18 O Si2 -","- C60 H76 N36 O2 Si4 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0462","0.0385","","","0.0959","0.1019","","","","","","1.063","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569443","15.9611","0.0002","21.1674","0.0003","22.6832","0.0003","90","","97.74","0.001","90","","7593.81","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N12 O Si -","- C23 H24 N12 O Si -","- C276 H288 N144 O12 Si12 -","12","3","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0506","0.0407","","","0.0939","0.101","","","","","","1.108","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569444","11.0242","0.0003","16.5074","0.0004","11.0507","0.0002","90","","97.688","0.002","90","","1992.94","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N4 S -","- C22 H19 Cl N4 S -","- C88 H76 Cl4 N16 S4 -","4","1","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","0.71073","MoKα","","0.0671","0.0461","","","0.1106","0.123","","","","","","1.037","","","","has coordinates,has disorder","284990","2023-07-05","18:38:50",""
"1569445","12.1537","0.0005","12.8679","0.0005","15.0994","0.0005","70.272","0.003","69.417","0.003","67.402","0.004","1984.17","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl N4 S -","- C23 H17 Cl N4 S -","- C92 H68 Cl4 N16 S4 -","4","2","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","1.54184","CuKα","","0.0344","0.0296","","","0.0747","0.078","","","","","","1.034","","","","has coordinates","284991","2023-07-05","18:39:15",""
"1569484","10.2913","0.0002","16.4105","0.0003","13.1029","0.0003","90","","92.4886","0.0018","90","","2210.8","0.08","178","","178","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cu N3 O4 S -","- C18 H39 Cu N3 O4 S -","- C72 H156 Cu4 N12 O16 S4 -","4","1","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.0256","0.0236","","","0.0672","0.068","","","","","","1.086","","","","has coordinates","286023","2023-09-05","18:45:56",""
"1569485","10.9907","0.0008","10.9907","0.0008","23.1929","0.0016","90","","90","","120","","2426.3","0.3","178","","178","","","","","","","","","7","P -3","-P 3","147","","","","- C18 H10 Cl Cu F6 N3 P -","- C19.5 H42 Cl Cu F6 N3 P -","- C78 H168 Cl4 Cu4 F24 N12 P4 -","4","0.666667","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.1336","0.1213","","","0.3052","0.3133","","","","","","1.048","","","","has coordinates","286023","2023-09-05","18:45:57",""
"1569547","18.9076","0.0003","11.49805","0.00018","14.5081","0.0002","90","","100.559","0.0015","90","","3100.66","0.08","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N4 O3 Ru S -","- C32 H31 F3 N4 O3 Ru S -","- C128 H124 F12 N16 O12 Ru4 S4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","1.54184","CuKα","","0.0818","0.0766","","","0.2636","0.2785","","","","","","1.203","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569548","20.26618","0.00017","10.02851","0.00008","20.44489","0.00017","90","","101.764","0.0009","90","","4067.94","0.06","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl2 F12 N4 P2 Ru -","- C32 H34 Cl2 F12 N4 P2 Ru -","- C128 H136 Cl8 F48 N16 P8 Ru4 -","4","1","","Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin","Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex","Catalysis Science & Technology","2023","13","19","5625","5631","10.1039/D3CY00512G","","x-ray","0.71073","MoKα","","0.0397","0.0334","","","0.0836","0.0874","","","","","","1.036","","","","has coordinates,has disorder","286693","2023-10-05","23:25:22",""
"1569579","9.8807","0.0002","19.9006","0.0004","20.5724","0.0004","91.843","0.001","101.967","0.001","101.976","0.001","3859.18","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H78 Au Cl3 N2 -","- C102 H78 Au Cl3 N2 -","- C204 H156 Au2 Cl6 N4 -","2","1","","Rahman, Md. Mahbubur; Gao, Pengcheng; Zhao, Qun; Lalancette, Roger; Szostak, Roman; Szostak, Michal","[Au(Np#)Cl]: highly reactive and broadly applicable Au(i)–NHC catalysts for alkyne π-activation reactions","Catalysis Science & Technology","2023","13","17","5131","5139","10.1039/D3CY00717K","","","1.54178","CuKα","","0.0224","0.0218","","","0.0527","0.0533","","","","","","1.06","","","","has coordinates","286021","2023-09-05","18:45:34",""
"1569584","8.2561","0.0002","40.9906","0.0009","12.059","0.0003","90","","109.088","0.003","90","","3856.65","0.17","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 Cl Ir O6 P2 -","- C38 H51 Cl Ir O6 P2 -","- C152 H204 Cl4 Ir4 O24 P8 -","4","1","","Chakrabarti, Kaushik; Spangenberg, Alice; Subramaniyan, Vasudevan; Hederstedt, Andreas; Abdelaziz, Omar Y.; Polukeev, Alexey V.; Wallenberg, Reine; Hulteberg, Christian P.; Wendt, Ola F.","Acceptorless dehydrogenation of 4-methylpiperidine by supported pincer-ligated iridium catalysts in continuous flow","Catalysis Science & Technology","2023","13","17","5113","5119","10.1039/D3CY00881A","","x-ray","0.71073","MoKα","","0.0782","0.0622","","","0.0988","0.103","","","","","","1.296","","","","has coordinates,has disorder","286022","2023-09-05","18:45:43",""
"1569594","10.9864","0.0004","12.8237","0.0004","15.4669","0.0005","90","0.003","90.946","0.003","90","0.003","2178.78","0.13","298","90","298","90","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br2 Cu N2 S -","- C21 H20 Br2 Cu N2 S -","- C84 H80 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.0533","0.0305","","","0.0593","0.07","","","","","","1.046","","","","has coordinates","286694","2023-10-05","23:25:33",""
"1569595","11.7434","0.001","13.1713","0.0007","12.2852","0.0009","90","","112.638","0.009","90","","1753.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 Cu N3 O -","- C16 H15 Br2 Cu N3 O -","- C64 H60 Br8 Cu4 N12 O4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","x-ray","0.71073","MoKα","","0.048","0.0331","","","0.1036","0.1135","","","","","","0.845","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569596","16.8022","0.0001","9.4781","0.0001","13.723","0.0001","90","","94.977","0.001","90","","2177.19","0.03","100","0.1","100","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 Cu N2 S -","- C21 H22 Br2 Cu N2 S -","- C84 H88 Br8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha","Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water","Catalysis Science & Technology","2023","13","18","5422","5434","10.1039/D3CY00671A","","","1.54184","CuKα","","0.0252","0.025","","","0.0638","0.064","","","","","","1.123","","","","has coordinates","286694","2023-10-05","23:25:34",""
"1569606","12.8402","0.0002","19.2826","0.0003","25.7915","0.0003","90","","101.171","0.001","90","","6264.79","0.16","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C67 H56 Cu F6 N2 O3 P3 -","- C67 H56 Cu F6 N2 O3 P3 -","- C268 H224 Cu4 F24 N8 O12 P12 -","4","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0425","0.0374","","","0.0944","0.0972","","","","","","1.039","","","","has coordinates,has disorder","285436","2023-08-03","21:01:52",""
"1569607","9.7521","0.0001","15.5514","0.0002","16.6886","0.0003","94.049","0.001","99.373","0.001","100.684","0.001","2440.59","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C48 H49 Cl4 Cu F6 N2 O P3 -","- C96 H98 Cl8 Cu2 F12 N4 O2 P6 -","2","1","","Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael","Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes","Catalysis Science & Technology","2023","13","14","4092","4106","10.1039/D3CY00132F","","x-ray","1.54184","CuKα","","0.0479","0.0463","","","0.1255","0.1268","","","","","","1.037","","","","has coordinates,has disorder","285436","2023-08-03","21:01:53",""
"1569617","26.2487","0.0004","26.2487","0.0004","26.2487","0.0004","90","","90","","90","","18085.2","0.5","106","9","106","9","","","","","","","","8","F 2 3","F 2 2 3","196","","","","- C92 H108 Cu12 Mo10 N5 O116 P V2 -","- C91.9984 H107.994 Cu12 Mo9.9996 N4.9996 O116.001 P V2.0004 -","- C367.994 H431.976 Cu48 Mo39.9984 N19.9984 O464.003 P4 V8.0016 -","4","0.0833333","","Lu, Xinlin; Cheng, Ting; Geletii, Yurii V.; Bacsa, John; Hill, Craig L.","Reactivity and stability synergism directed by the electron transfer between polyoxometalates and metal–organic frameworks","Catalysis Science & Technology","2023","13","17","5094","5103","10.1039/D3CY00569K","","x-ray","1.54184","CuKα","","0.0619","0.0552","","","0.1605","0.1682","","","","","","1.074","","","","has coordinates,has disorder","286020","2023-09-05","18:45:22",""
"1569623","74.59","0.005","74.59","0.005","74.59","0.005","90","","90","","90","","414994","5","100","2","100","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C70 H126 Cl4 In10 N20 S16 -","- Cl4 In10 S16 -","- Cl544 In1360 S2176 -","136","0.708333","","Yin, Haiyan; Liu, Yifan; Ablez, Abdusalam; Wang, Yanqi; Hu, Qianqian; Huang, Xiaoying","Dispersible Supertetrahedral Chalcogenide T3 Clusters: Photocatalytic Activity and Photogenerated Carrier Dynamics","Catalysts","2023","13","8","1160","","10.3390/catal13081160","","","0.71073","MoKα","","0.1199","0.0583","","","0.1671","0.2015","","","","","","1.012","","","","has coordinates","285540","2023-08-05","15:16:39",""
"1569624","7.5287","0.0003","16.5771","0.0004","7.9737","0.0003","90","","113.925","0.004","90","","909.64","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0261","0.0237","","","0.0631","0.0644","","","","","","1.078","","","","has coordinates,has disorder","285541","2023-08-05","16:32:16",""
"1569625","10.3808","0.0002","26.2761","0.0005","11.3407","0.0003","90","","101.374","0.002","90","","3032.62","0.12","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl5.01 Co2 N15 O3 -","- C12 H39 Cl5.0079 Co2 N15 O3 -","- C48 H156 Cl20.0316 Co8 N60 O12 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0467","0.0352","","","0.0688","0.0723","","","","","","1.084","","","","has coordinates,has disorder","285542","2023-08-05","16:32:56",""
"1569626","8.7792","0.0015","20.142","0.003","13.72","0.002","90","","91.957","0.002","90","","2424.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Co O8 Pb -","- C20 H28 Co O8 Pb -","- C80 H112 Co4 O32 Pb4 -","4","1","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","","0.71073","MoKα","","0.0975","0.0545","","","0.1296","0.1496","","","","","","1.029","","","","has coordinates","285543","2023-08-05","16:33:31",""
"1569627","23.8452","0.0006","10.7063","0.0003","16.3561","0.0004","90","","97.096","0.001","90","","4143.63","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 Co5 O28 Pb2 -","- C70 H98 Co5 O28 Pb2 -","- C140 H196 Co10 O56 Pb4 -","2","0.5","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","x-ray","0.49594","synchrotron","","0.0225","0.0198","","","0.0533","0.0542","","","","","","1.064","","","","has coordinates","285544","2023-08-05","16:34:01",""
"1569628","12.648","0.003","13.634","0.003","8.574","0.002","90","","97.801","0.008","90","","1464.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N O3 -","- C6 H6 Cl N O3 -","- C48 H48 Cl8 N8 O24 -","8","2","","Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V.","pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media","Crystals","2023","13","7","1062","","10.3390/cryst13071062","","","0.71073","MoKα","","0.1619","0.1045","","","0.1444","0.1561","","","","","","1.202","","","","has coordinates","285545","2023-08-05","16:34:26",""
"1569629","9.5443","0.0001","9.5443","0.0001","7.5603","0.0001","90","","90","","120","","596.428","0.012","59.9","0.2","59.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0145","0.0145","","","0.0327","0.0327","","","","1.01","1.01","1.01","","","","has coordinates","285546","2023-08-05","16:34:57",""
"1569630","9.543","0.0001","9.543","0.0001","7.5634","0.0001","90","","90","","120","","596.51","0.012","25.01","0.13","25.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0162","0.0162","","","0.0379","0.0379","","","","1.01","1.01","1.01","","","","has coordinates","285547","2023-08-05","16:35:22",""
"1569631","9.5435","0.0001","9.5435","0.0001","7.5628","0.0001","90","","90","","120","","596.525","0.012","292.99","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 -","- Al0.2499 B4 Bi0.05 Fe2.7501 O12 Sm0.95 -","- Al0.7497 B12 Bi0.15 Fe8.2503 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0161","0.0161","","","","1","1","1","","","","has coordinates","285548","2023-08-05","16:35:56",""
"1569632","9.5534","0.0001","9.5534","0.0001","7.5767","0.0001","90","","90","","120","","598.862","0.012","292.98","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 -","- Al0.1701 B4 Bi0.05 Fe2.8299 O12 Sm0.95 -","- Al0.5103 B12 Bi0.15 Fe8.4897 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0167","0.0167","","","","1.02","1.02","1.02","","","","has coordinates","285549","2023-08-05","16:36:30",""
"1569633","9.5329","0.0001","9.5329","0.0001","7.5553","0.0001","90","","90","","120","","594.61","0.012","293.01","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0156","0.0156","","","","1.03","1.03","1.03","","","","has coordinates","285550","2023-08-05","16:37:03",""
"1569634","9.565","0.0001","9.565","0.0001","7.5869","0.0001","90","","90","","120","","601.125","0.012","293","0.1","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B12 Bi0.15 Fe9 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0111","0.0111","","","0.0149","0.0149","","","","1.01","1.01","1.01","","","","has coordinates","285551","2023-08-05","16:37:31",""
"1569635","9.5443","0.0001","9.5443","0.0001","7.5598","0.0001","90","","90","","120","","596.388","0.012","150.01","0.1","150.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0172","0.017","","","0.0362","0.0363","","","","1.02","1.02","1.02","","","","has coordinates","285552","2023-08-05","16:38:04",""
"1569636","9.5595","0.0001","9.5595","0.0001","7.5816","0.0001","90","","90","","120","","600.015","0.012","292.98","0.14","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 -","- Al0.0699 B4 Bi0.07 Fe2.9301 O12 Sm0.93 -","- Al0.2097 B12 Bi0.21 Fe8.7903 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0115","0.0115","","","0.0151","0.0151","","","","1.01","1.01","1.01","","","","has coordinates","285553","2023-08-05","16:38:37",""
"1569637","9.5444","0.0001","9.5444","0.0001","7.5601","0.0001","90","","90","","120","","596.424","0.012","79.9","0.2","79.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0155","0.0154","","","0.0339","0.034","","","","1.02","1.02","1.02","","","","has coordinates","285554","2023-08-05","16:39:11",""
"1569638","9.5439","0.0001","9.5439","0.0001","7.5624","0.0001","90","","90","","120","","596.543","0.012","29.98","0.17","29.98","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0348","","","","1.02","1.02","1.02","","","","has coordinates","285555","2023-08-05","16:39:35",""
"1569639","9.5443","0.0001","9.5443","0.0001","7.5632","0.0001","90","","90","","120","","596.657","0.012","220","0.1","220","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0196","0.0193","","","0.0402","0.0403","","","","1.01","1.01","1.01","","","","has coordinates","285556","2023-08-05","16:40:02",""
"1569640","9.5452","0.0001","9.5452","0.0001","7.568","0.0001","90","","90","","120","","597.148","0.012","293","0.1","293","0.1","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0234","0.0224","","","0.0456","0.0462","","","","1","1","1","","","","has coordinates","285557","2023-08-05","16:40:33",""
"1569641","9.5438","0.0001","9.5438","0.0001","7.5616","0.0001","90","","90","","120","","596.468","0.012","39.9","0.3","39.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0329","0.0329","","","","1.02","1.02","1.02","","","","has coordinates","285558","2023-08-05","16:40:59",""
"1569642","9.5441","0.0001","9.5441","0.0001","7.5621","0.0001","90","","90","","120","","596.545","0.012","35","0.2","35","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0149","0.0148","","","0.0343","0.0344","","","","1","1","1","","","","has coordinates","285559","2023-08-05","16:41:23",""
"1569643","9.544","0.0001","9.544","0.0001","7.561","0.0001","90","","90","","120","","596.445","0.012","50","0.3","50","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0349","","","","1.02","1.02","1.02","","","","has coordinates","285560","2023-08-05","16:41:59",""
"1569644","9.545","0.0001","9.545","0.0001","7.5598","0.0001","90","","90","","120","","596.476","0.012","109.9","0.3","109.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0164","0.0163","","","0.0379","0.0379","","","","1","1","1","","","","has coordinates","285561","2023-08-05","16:42:24",""
"1569645","9.5446","0.0001","9.5446","0.0001","7.5602","0.0001","90","","90","","120","","596.457","0.012","70","0.2","70","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.015","0.0149","","","0.0334","0.0335","","","","1.02","1.02","1.02","","","","has coordinates","285562","2023-08-05","16:42:49",""
"1569680","9.8933","0.0006","17.588","0.0009","18.9275","0.0012","90","","91.121","0.002","90","","3292.8","0.3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 N O3 P2 Ru -","- C39 H39 N O3 P2 Ru -","- C156 H156 N4 O12 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0509","0.0519","","","","","","1.05","","","","has coordinates","286695","2023-10-05","23:25:46",""
"1569681","9.845","0.002","17.644","0.004","19.132","0.004","90","","90.757","0.007","90","","3323","1.2","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O2 P2 Ru -","- C39 H38 N2 O2 P2 Ru -","- C156 H152 N8 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0514","0.0402","","","0.0942","0.1008","","","","","","1.06","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569682","9.8638","0.001","17.891","0.002","19.013","0.002","90","","90.761","0.004","90","","3355","0.6","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N O2 P2 Ru -","- C41 H39 N O2 P2 Ru -","- C164 H156 N4 O8 P8 Ru4 -","4","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.032","0.0273","","","0.0676","0.0704","","","","","","1.041","","","","has coordinates","286695","2023-10-05","23:25:47",""
"1569683","29.656","0.005","9.775","0.0017","25.141","0.004","90","","106.902","0.005","90","","6973","2","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N O2 P2 Ru -","- C43 H39 N O2 P2 Ru -","- C344 H312 N8 O16 P16 Ru8 -","8","1","","Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter","Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity","Catalysis Science & Technology","2023","13","18","5267","5279","10.1039/D3CY00676J","","x-ray","0.71073","MoKα","","0.0571","0.0501","","","0.0926","0.0955","","","","","","1.214","","","","has coordinates,has disorder","286695","2023-10-05","23:25:47",""
"1569735","9.7458","0.0009","15.2404","0.0014","15.8334","0.0014","90","","91.303","0.006","90","","2351.1","0.4","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 Cl2 Cu N5 O8 -","- C14 H33 Cl2 Cu N5 O8 -","- C56 H132 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0821","0.0701","","","0.1947","0.208","","","","","","0.925","","","","has coordinates","287288","2023-11-06","06:16:41",""
"1569736","10.2096","0.0011","9.5739","0.001","12.8306","0.0011","90","","106.747","0.007","90","","1200.9","0.2","115","","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 Cu N5 O8 -","- C20 H21 Cl2 Cu N5 O8 -","- C40 H42 Cl4 Cu2 N10 O16 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0422","0.0369","","","0.0897","0.0919","","","","","","1.042","","","","has coordinates","287288","2023-11-06","06:16:50",""
"1569737","20.0899","0.0017","10.2143","0.001","23.1418","0.0018","90","","101.316","0.007","90","","4656.5","0.7","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 Cl2 Cu N5 O8.5 -","- C18 H25 Cl2 Cu N5 O8.5 -","- C144 H200 Cl16 Cu8 N40 O68 -","8","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.034","0.0316","","","0.0854","0.0893","","","","","","1.085","","","","has coordinates","287288","2023-11-06","06:16:53",""
"1569738","11.4909","0.0012","9.9244","0.0012","21.336","0.002","90","","99.433","0.007","90","","2400.3","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cl2 Cu N5 O8 -","- C19 H27 Cl2 Cu N5 O8 -","- C76 H108 Cl8 Cu4 N20 O32 -","4","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.1203","0.1001","","","0.2412","0.2545","","","","","","1.041","","","","has coordinates","287288","2023-11-06","06:17:04",""
"1569739","12.9525","0.0009","13.3361","0.0011","20.9485","0.0014","83.572","0.006","78.793","0.005","66.559","0.005","3254.2","0.4","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H91 B2 Cu N11 -","- C71 H91 B2 Cu N11 -","- C142 H182 B4 Cu2 N22 -","2","1","","Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu","Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system","Catalysis Science & Technology","2023","13","20","5859","5867","10.1039/D3CY00944K","","x-ray","0.71075","MoKα","","0.0573","0.0403","","","0.0983","0.1059","","","","","","1.02","","","","has coordinates","287288","2023-11-06","06:17:08",""
"1569803","60.5386","0.0009","62.2276","0.001","5.9086","0.0001","90","","90","","90","","22258.7","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H31 N2 O7 Zn2 -","- C47 H31 N2 O7 Zn2 -","- C752 H496 N32 O112 Zn32 -","16","1","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.098","0.0866","","","0.2656","0.2826","","","","","","1.01","","","","has coordinates","286223","2023-09-06","03:35:26",""
"1569804","11.4402","0.0004","30.8405","0.001","27.0931","0.0009","90","","96.884","0.002","90","","9490.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H46 N2 O12 Zn3 -","- C74 H46 N2 O12 Zn3 -","- C296 H184 N8 O48 Zn12 -","4","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1161","0.062","","","0.1673","0.1845","","","","","","0.994","","","","has coordinates,has disorder","286223","2023-09-06","03:35:26",""
"1569805","16.3093","0.0012","27.4589","0.0019","48.052","0.003","90","","97.288","0.004","90","","21346","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C296 H184 N8 O48 Zn8 -","- C296 H184 N8 O48 Zn8 -","- C592 H368 N16 O96 Zn16 -","2","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1939","0.0836","","","0.18","0.2066","","","","","","0.819","","","","has coordinates","286223","2023-09-06","03:35:27",""
"1569806","12.2791","0.0003","12.5594","0.0003","14.265","0.0003","92.774","0.001","115.24","0.001","92.827","0.001","1981.6","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.0988","0.0912","","","0.2742","0.2819","","","","","","1.077","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569807","13.2103","0.0011","13.8734","0.0012","16.6325","0.0013","102.709","0.004","111.677","0.004","92.99","0.005","2733.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.1069","0.0616","","","0.1499","0.1716","","","","","","1.06","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569808","14.6614","0.0005","15.9147","0.0006","18.0194","0.0007","90","","90","","90","","4204.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N9 O S2 -","- C16 H17 Cd N9 O S2 -","- C128 H136 Cd8 N72 O8 S16 -","8","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0533","0.0297","","","0.0619","0.075","","","","","","1.099","","","","has coordinates","286225","2023-09-06","03:36:41",""
"1569809","9.323","0.004","10.936","0.005","11.312","0.006","112.637","0.01","104.547","0.011","105.133","0.01","944.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cd Cl N10 O -","- C14 H17 Cd Cl N10 O -","- C28 H34 Cd2 Cl2 N20 O2 -","2","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0411","0.0329","","","0.0872","0.0972","","","","","","1.144","","","","has coordinates","286226","2023-09-06","03:37:03",""
"1569810","9.5129","0.0003","15.13","0.0003","17.615","0.0005","72.469","0.002","83.305","0.002","89.077","0.002","2400.6","0.12","295","9","295","9","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","1.54184","CuKα","","0.1221","0.0946","","","0.2623","0.3136","","","","","","1.208","","","","has coordinates","286227","2023-09-06","03:37:40",""
"1569811","9.0555","0.0003","39.923","0.0009","12.6015","0.0004","90","","90.376","0.003","90","","4555.6","0.2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C176 H136 Cl16 F48 N24 O24 -","8","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.0634","0.0563","","","0.1481","0.1551","","","","","","1.058","","","","has coordinates","286228","2023-09-06","03:38:17",""
"1569812","12.6058","0.0007","20.0622","0.0015","9.0538","0.0005","90","","90","","90","","2289.7","0.2","113.15","","113.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","1","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.083","0.0518","","","0.0866","0.0971","","","","","","1.041","","","","has coordinates","286229","2023-09-06","03:38:40",""
"1569813","15.8313","0.0002","15.8313","0.0002","7.104","0.0001","90","","90","","120","","1541.94","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.543 F0.586 H3 Li2.328 Mn0.672 Na0.457 Oi30.3961 Si6 -","- Al18 B9 Ca1.629 F1.758 H9 Li6.984 Mn2.016 Na1.371 Oi91.1883 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.017","0.0166","","","0.0407","0.0409","","","","","","1.121","","","","has coordinates","286230","2023-09-06","03:39:08",""
"1569814","15.8839","0.0002","15.8839","0.0002","7.116","0.0001","90","","90","","120","","1554.82","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 -","- Al6 B3 Ca0.33 F0.5948 H3 Li1.869 Mn1.131 Na0.67 O30.4052 Si6 -","- Al18 B9 Ca0.99 F1.7844 H9 Li5.607 Mn3.393 Na2.01 O91.2156 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0176","0.0175","","","0.0436","0.0437","","","","","","1.129","","","","has coordinates","286231","2023-09-06","03:39:38",""
"1569815","15.8345","0.0002","15.8345","0.0002","7.1039","0.0001","90","","90","","120","","1542.54","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","1","0.0555556","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0162","0.0161","","","0.0402","0.0403","","","","","","1.129","","","","has coordinates","286232","2023-09-06","03:40:04",""
"1569816","15.874","0.0003","15.874","0.0003","7.1138","0.0001","90","","90","","120","","1552.41","0.05","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.501 F0.5851 H3 Li1.977 Mn1.023 Na0.499 Oi30.415 Si6 -","- Al18 B9 Ca1.503 F1.7553 H9 Li5.931 Mn3.069 Na1.497 Oi91.245 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0168","0.0168","","","0.0421","0.0421","","","","","","1.124","","","","has coordinates","286233","2023-09-06","03:40:32",""
"1569817","10.7987","0.0003","17.7255","0.0004","6.76698","0.00019","90","","90.698","0.003","90","","1295.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N8 O4 S -","- C7 H14 N8 O4 S -","- C28 H56 N32 O16 S4 -","4","1","","Moskalenko, Ivan V.; Shilovskikh, Vladimir V.; Nesterov, Pavel V.; Novikov, Alexander S.; Omarova, Malika; Sadovnichii, Roman V.; Gurzhiy, Vladislav V.; Orekhov, Nikita D.; Skorb, Ekaterina V.","Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies","Crystals","2023","13","9","1302","","10.3390/cryst13091302","","x-ray","1.54184","CuKα","","0.0453","0.0368","","","0.0989","0.1025","","","","","","1.088","","","","has coordinates","286234","2023-09-06","03:41:14",""
"1569818","10.8915","0.0006","16.5156","0.0006","7.7866","0.0004","90","","104.932","0.004","90","","1353.35","0.12","153","2","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O3 Sb -","- C15 H14 N O3 Sb -","- C60 H56 N4 O12 Sb4 -","4","1","","Knerr, Steven; Böhme, Uwe; Herbig, Marcus","Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies","Crystals","2023","13","9","1300","","10.3390/cryst13091300","","","0.71073","MoKα","","0.0257","0.0231","","","0.0551","0.0571","","","","","","1.234","","","","has coordinates","286235","2023-09-06","03:41:40",""
"1569884","21.1424","0.0006","46.1033","0.0015","21.8744","0.0007","90","","96.53","0.001","90","","21183.4","1.1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C200 H180 Au28 -","- C200 H180 Au28 -","- C800 H720 Au112 -","4","1","","Tang, Shisi; Liu, Haoqi; Song, Tongxin; Cai, Xiao; Liu, Xu; Ding, Weiping; Zhu, Yan","Aromatic alkyne-protected Au28 nanoclusters for electrocatalytic ethanol oxidation","Catalysis Science & Technology","2023","13","20","5821","5824","10.1039/D3CY00889D","","x-ray","0.71073","MoKα","","0.0822","0.0502","","","0.1216","0.136","","","","","","1.046","","","","has coordinates,has disorder","287287","2023-11-06","06:16:22",""
"1569886","6.158","0.004","10.149","0.007","11.482","0.007","76.503","0.017","79.869","0.018","89.31","0.02","686.6","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(1R,2R,3R,4R,5R)-trimethyl bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylate","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","","0.71073","MoKα","","0.1887","0.1463","","","0.3893","0.4118","","","","","","1.163","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569887","18.177","0.004","7.3979","0.0015","13.815","0.003","90","","102.03","0.03","90","","1816.9","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Fe N6 -","- C12 H28 Cl2 Fe N6 -","- C48 H112 Cl8 Fe4 N24 -","4","0.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0393","0.0239","","","0.0532","0.0549","","","","","","0.938","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569888","8.7832","0.0018","11.895","0.002","15.221","0.003","90","","90","","90","","1590.2","0.5","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 Fe N4 -","- C12 H20 Cl2 Fe N4 -","- C48 H80 Cl8 Fe4 N16 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","1.54186","CuKα","","0.0376","0.037","","","0.1016","0.102","","","","","","1.074","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569889","9.3007","0.0019","9.83","0.002","12.49","0.003","69.47","0.03","87.94","0.03","65.38","0.03","964","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Cl2 Fe N6 -","- C13 H30 Cl2 Fe N6 -","- C26 H60 Cl4 Fe2 N12 -","2","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0417","0.0265","","","0.0634","0.0657","","","","","","0.963","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569890","17.306","0.004","9.454","0.0019","36.444","0.011","90","","97.32","0.03","90","","5914","3","100","2","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H24 Cl2 Fe N6 -","- C16 H24 Cl2 Fe N6 -","- C192 H288 Cl24 Fe12 N72 -","12","1.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0872","0.0648","","","0.18","0.1933","","","","","","1.025","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569891","12.769","0.003","13.649","0.003","15.343","0.003","90","","90","","90","","2674","1","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 Fe N8 -","- C22 H36 Cl2 Fe N8 -","- C88 H144 Cl8 Fe4 N32 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.0886","0.0931","","","","","","0.933","","","","has coordinates,has disorder","287289","2023-11-06","06:17:25",""
"1569892","15.712","0.003","9.29","0.0019","16.52","0.003","90","","116.37","0.03","90","","2160.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Fe N6 -","- C20 H26 Cl2 Fe N6 -","- C80 H104 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0508","0.0359","","","0.0891","0.094","","","","","","1.057","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569893","12.011","0.002","10.508","0.002","16.725","0.003","90","","106.09","0.03","90","","2028.2","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Fe N6 -","- C16 H28 Cl2 Fe N6 -","- C64 H112 Cl8 Fe4 N24 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0363","0.0303","","","0.0669","0.0704","","","","","","1.111","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1570011","14.056499","0.000014","14.319201","0.000014","17.2059","0.000017","90","","95.848","0.003","90","","3445.14","0.019","100","","100","","","","100","","","","synthesis","7","I 1 a 1","I -2ya","9","meta-CF3 Pd(II) catalyst bistriflimide","2-(5-(trifluoromethyl)pyridin-2-yl)benzo[d]oxazole palladium(II)bis(bistriflimide)bis(acetonitrile)","","- C21 H13 F15 N6 O9 Pd S4 -","- C21 H13 F15 N6 O9 Pd S4 -","- C84 H52 F60 N24 O36 Pd4 S16 -","4","1","","Blair, Matthew N.; Murray-Williams, Meadhbh; Maguire, Calum; Brown, Clare L.; Cao, Qun; Chai, Hongxin; Li, Yitong; O'Hagan, Róisín L.; Dingwall, Paul; Manesiotis, Panagiotis; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich; Knipe, Peter C.; Muldoon, Mark J.","Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes","Catalysis Science & Technology","2023","13","21","6224","6232","10.1039/D3CY01046E","","","0.71073","MoKα","","0.0561","0.0543","","0.132","0.1304","0.132","","","","","","1.0254","","","","has coordinates","287290","2023-11-06","06:17:44",""
"1570054","9.8109","0.0006","9.8109","0.0006","14.8403","0.0012","90","","90","","120","","1237.06","0.15","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- O25 P6 Pb10 -","- O25 P6 Pb10 -","- O50 P12 Pb20 -","2","0.333333","","Krivovichev, Sergey V.; Engel, Günther","The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure","Crystals","2023","13","9","1371","","10.3390/cryst13091371","","","0.71073","MoKα","","0.0544","0.0413","","","0.0749","0.0771","","","","","","0.866","","","","has coordinates","286823","2023-10-06","06:51:17",""
"1570247","5.0471","0.0001","12.5114","0.0003","22.2915","0.0005","90","","90","","90","","1407.63","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0384","0.0332","","","0.0768","0.0794","","","","","","1.046","","","","has coordinates","287433","2023-11-06","15:21:02",""
"1570248","14.9862","0.0002","4.8641","0.0001","20.3991","0.0003","90","","101.697","0.002","90","","1456.1","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0448","0.0397","","","0.1041","0.1086","","","","","","1.047","","","","has coordinates","287434","2023-11-06","15:21:25",""
"1570249","15.34","0.0004","5.0292","0.0001","16.7042","0.0004","90","","100.545","0.002","90","","1266.93","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0382","0.0346","","","0.0863","0.089","","","","","","1.054","","","","has coordinates","287435","2023-11-06","15:21:50",""
"1570250","16.89752","0.00013","5.76627","0.00004","17.97633","0.00013","90","","113.947","0.0009","90","","1600.77","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0927","0.0939","","","","","","1.053","","","","has coordinates","287436","2023-11-06","15:22:14",""
"1570285","13.5479","0.0011","22.1691","0.001","23.429","0.002","90","","131.809","0.014","90","","5245","1.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","aks-sn-4-265","","- C61 H53 Cl2 N5 O2 P2 Ru -","- C61 H53 Cl2 N5 O2 P2 Ru -","- C244 H212 Cl8 N20 O8 P8 Ru4 -","4","1","","Nath, Shambhu; Yadav, Ekta; Raghuvanshi, Abhinav; Singh, Amrendra K.","Mechanistic insights and comparative analysis of Ru(ii)–NNC pincer complexes with anionic-, protic-, and classical-NHCs for transfer hydrogenation of ketones","Catalysis Science & Technology","2023","13","24","7085","7099","10.1039/D3CY01383A","","x-ray","1.54184","CuKα","","0.1479","0.096","","","0.2217","0.2727","","","","","","1.116","","","","has coordinates","288719","2024-01-06","06:48:57",""
"1570378","9.5291","0.0002","22.9164","0.0005","9.87","0.0002","90","","102.612","0.002","90","","2103.33","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cu4 I4 N8 -","- C36 H40 Cu4 I4 N8 -","- C72 H80 Cu8 I8 N16 -","2","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0356","0.032","","","0.0765","0.0791","","","","","","1.02","","","","has coordinates","288718","2024-01-06","06:48:46",""
"1570379","20.0759","0.0002","16.97565","0.00017","14.15214","0.00016","90","","90","","90","","4823.07","0.09","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H48 Cu4 I4 N8 -","- C43 H48 Cu4 I4 N8 -","- C172 H192 Cu16 I16 N32 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0294","0.0261","","","0.064","0.0662","","","","","","1.027","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570380","9.6197","0.0005","14.6022","0.0006","15.2132","0.0008","116.031","0.005","98.314","0.004","100.323","0.004","1827.89","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cu4 F4 N8 -","- C36 H40 Cu4 F4 N8 -","- C72 H80 Cu8 F8 N16 -","2","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0641","0.0341","","","0.0771","0.0803","","","","","","0.858","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570381","15.1457","0.0004","8.88279","0.00016","14.4845","0.0004","90","","110.461","0.003","90","","1825.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cu N4 -","- C18 H20 Br Cu N4 -","- C72 H80 Br4 Cu4 N16 -","4","1","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0339","0.0288","","","0.0693","0.0726","","","","","","1.039","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570382","10.4396","0.0005","13.5659","0.001","14.4025","0.0011","74.007","0.007","89.553","0.005","79.913","0.005","1928.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu2 N4 -","- C18 H20 Cl2 Cu2 N4 -","- C72 H80 Cl8 Cu8 N16 -","4","2","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0578","0.0329","","","0.062","0.0652","","","","","","0.863","","","","has coordinates","288718","2024-01-06","06:48:47",""
"1570383","17.3777","0.0006","14.539","0.0005","10.7488","0.0004","90","","90","","90","","2715.73","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H28 Cu2 F2 N6 -","- C30 H28 Cu2 F2 N6 -","- C120 H112 Cu8 F8 N24 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","0.71073","MoKα","","0.0577","0.0412","","","0.0961","0.105","","","","","","1.06","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47",""
"1570517","8.8641","0.0007","10.0807","0.001","10.235","0.001","106.771","0.001","105.118","0.001","103.206","0.001","798.42","0.13","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKa","","0.0588","0.0398","","","0.1114","0.1299","","","","","","0.747","","","","has coordinates","288092","2023-12-06","18:45:52",""
"1570518","9.4355","0.0012","9.9756","0.0012","12.5092","0.0016","98.322","0.002","93.508","0.002","115.15","0.002","1044.6","0.2","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0542","0.0428","","","0.1302","0.1475","","","","","","0.927","","","","has coordinates","288093","2023-12-06","18:46:12",""
"1570519","16.452","0.007","7.273","0.003","7.423","0.003","90","","102.055","0.012","90","","868.6","0.6","275","2","275","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Fe N8 Ni -","- C14 H16 Fe N8 Ni -","- C28 H32 Fe2 N16 Ni2 -","2","0.25","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0411","0.0299","","","0.0868","0.1005","","","","","","0.718","","","","has coordinates","288094","2023-12-06","18:46:30",""
"1570568","10.4642","0.0002","6.74981","0.00013","12.5396","0.0003","90","","102.739","0.002","90","","863.89","0.03","293","2","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0329","0.0269","","","0.0561","0.0603","","","","","","1.168","","","","has coordinates","288377","2023-12-18","09:36:34",""
"1570569","10.4617","0.0003","6.74837","0.00016","12.5382","0.0003","90","","102.748","0.003","90","","863.37","0.04","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0338","0.0277","","","0.0575","0.06","","","","","","1.152","","","","has coordinates","288378","2023-12-18","09:36:55",""
"1570570","10.369","0.0003","6.7028","0.0002","12.464","0.0003","90","","102.533","0.003","90","","845.62","0.04","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Er2 O5 Si -","- Er2 O5 Si -","- Er16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0388","0.0318","","","0.0653","0.0684","","","","","","1.18","","","","has coordinates","288379","2023-12-18","09:37:16",""
"1570571","10.4156","0.0002","6.7273","0.0001","12.5019","0.0003","90","","102.63","0.002","90","","854.8","0.03","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho2 O5 Si -","- Ho2 O5 Si -","- Ho16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0295","0.0264","","","0.0598","0.0614","","","","","","1.157","","","","has coordinates","288380","2023-12-18","09:37:37",""
"1572876","7.1","0.0001","6.8","0.0001","24.3","0.001","90","","91.9","","90","0.001","1172.56","0.05","81.15","","81.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 F3 N O3 -","- C15 H10 F3 N O3 -","- C60 H40 F12 N4 O12 -","4","1","","Hawash, Mohammed; Al-Smadi, Derar; Kumar, Anil; Olech, Barbara; Dominiak, Paulina Maria; Jaradat, Nidal; Antari, Sarah; Mohammed, Sarah; Nasasrh, Alaa; Abualhasan, Murad; Musa, Ahmed; Suboh, Shorooq; Çapan, İrfan; Qneibi, Mohammad; Natsheh, Hiba","Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model","Biomolecules","2023","13","10","1486","","10.3390/biom13101486","","","0.02508","electron","","0.1349","0.106","","","0.2691","0.2939","","","","","","0.9891","","","","has coordinates","295565","2024-10-21","07:25:37",""
"1572877","28.3","0.0001","4.9","0.0001","20.4","0.001","90","","114.8","","90","0.001","2567.98","0.14","81.15","","81.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C128 H120 N8 O40 -","8","1","","Hawash, Mohammed; Al-Smadi, Derar; Kumar, Anil; Olech, Barbara; Dominiak, Paulina Maria; Jaradat, Nidal; Antari, Sarah; Mohammed, Sarah; Nasasrh, Alaa; Abualhasan, Murad; Musa, Ahmed; Suboh, Shorooq; Çapan, İrfan; Qneibi, Mohammad; Natsheh, Hiba","Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model","Biomolecules","2023","13","10","1486","","10.3390/biom13101486","","","0.02508","electron","","0.2187","0.1419","","","0.3498","0.406","","","","","","1.2593","","","","has coordinates","295565","2024-10-21","07:25:46",""
"1575053","5.7564","0.0001","12.4294","0.0004","32.2384","0.001","90","","90","","90","","2306.61","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C96 H80 Br8 N24 O8 -","8","1","","Triviño-Rojas, Maida Katherine; Jiménez-Lopez, Santiago José; D’Vries, Richard; Aragón-Muriel, Alberto; Polo-Cerón, Dorian","In Vitro Antibacterial Activities and Calf Thymus DNA–Bovine Serum Albumin Interactions of Tridentate NNO Hydrazone Schiff Base–Metal Complexes","Inorganics","2025","13","7","213","","10.3390/inorganics13070213","","x-ray","0.71073","MoKα","","0.1001","0.0476","","","0.1103","0.1342","","","","","","0.956","","","","has coordinates","301195","2025-07-07","05:41:44",""
"1575953","13.7374","0.0016","12.6237","0.0015","15.635","0.0019","90","","90","","90","","2711.4","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H21 B10 N2 O6 Zn -","- C16 H21 B10 N2 O6 Zn -","- C64 H84 B40 N8 O24 Zn4 -","4","0.5","","Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin","Moderately polarized carborane-MOF with inverse C<sub>2</sub> selectivity for one-step polymer-grade ethylene purification.","Materials horizons","2026","13","1","473","479","10.1039/d5mh01641j","","","0.6888","synchrotron","","0.1566","0.1224","","","0.3194","0.3468","","","","","","1.113","","","","has coordinates,has disorder","304962","2026-03-05","13:13:44",""
"1575970","11.4008","0.0003","11.5395","0.0004","15.8744","0.0006","92.725","0.003","108.344","0.003","99.419","0.003","1944.61","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B Cu N4 -","- C50 H42 B Cu N4 -","- C100 H84 B2 Cu2 N8 -","2","1","","Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro","Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand","Inorganics","2025","13","10","327","","10.3390/inorganics13100327","","x-ray","1.54184","CuKα","","0.0577","0.0508","","","0.137","0.1424","","","","","","1.022","","","","has coordinates","302825","2025-10-06","23:25:02",""
"1575971","11.8459","0.0003","19.8379","0.0004","11.8919","0.0003","90","","117.494","0.003","90","","2478.95","0.12","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C54 H44 Cu2 F6 N8 O6 S2 -","- C54 H44 Cu2 F6 N8 O6 S2 -","- C108 H88 Cu4 F12 N16 O12 S4 -","2","1","","Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro","Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand","Inorganics","2025","13","10","327","","10.3390/inorganics13100327","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.114","0.1157","","","","","","1.032","","","","has coordinates","302826","2025-10-06","23:26:14",""
"1576098","5.6533","0.0005","11.5377","0.001","7.4907","0.0008","90","","99.493","0.005","90","","481.9","0.08","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N2 O S -","- C3 H4 N2 O S -","- C12 H16 N8 O4 S4 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.0401","0.0384","","","0.1069","0.1086","","","","","","1.085","","","","has coordinates","305452","2026-04-05","12:29:24",""
"1576099","7.2223","0.0006","7.5798","0.0006","9.9313","0.0008","90","","102.849","0.002","90","","530.06","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N O S2 -","- C3 H3 N O S2 -","- C12 H12 N4 O4 S8 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.021","0.0206","","","0.0511","0.0513","","","","","","1.084","","","","has coordinates","305452","2026-04-05","12:29:24",""
"1576100","7.3097","0.0002","9.3825","0.0003","13.1497","0.0004","90","","90","","90","","901.85","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.0255","0.0248","","","0.0604","0.0606","","","","","","1.058","","","","has coordinates,has disorder","305452","2026-04-05","12:29:24",""
"1576129","16.305","0.0003","9.1766","0.0002","8.613","0.0002","90","","97.123","0.002","90","","1278.77","0.05","100.03","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","0.5","","Gao, Feifei; Li, Xiang; Zhang, Ying; Qin, Yan; Song, Hai-Peng; Wu, Min; Zhang, Shuqi; Wang, Xu; Li, Wei; Wu, Xiang; Xu, Hui","Pressure-driven interconversion between Ruddlesden-Popper and Dion-Jacobson phases in two-dimensional hybrid perovskites <i>via</i> supramolecular interactions.","Materials horizons","2026","13","2","800","809","10.1039/d5mh01588j","","","0.71073","MoKα","","0.0191","0.0185","","","0.0404","0.0406","","","","","","1.196","","","","has coordinates","304963","2026-03-05","13:14:31",""
"1576215","23.408","0.0001","23.7025","0.0002","26.6242","0.0002","82.849","0.001","70.891","0.001","61.18","0.001","12219.1","0.2","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H117 Co2 N3 O32 P6 Ti6 -","- C76 H119 Co2 N3 O32 P6 Ti6 -","- C380 H595 Co10 N15 O160 P30 Ti30 -","5","2.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.3405","GaKα","","0.0757","0.0609","","","0.1558","0.1649","","","","","","1.046","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576216","11.33","0.0001","12.8285","0.0002","19.9795","0.0002","93.765","0.001","104.804","0.001","96.71","0.001","2774.5","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","1","0.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.54184","CuKα","","0.0314","0.0303","","","0.0853","0.0859","","","","","","1.077","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576217","15.5362","0.0003","16.5431","0.0003","20.2811","0.0003","99.423","0.001","106.406","0.002","100.218","0.002","4793.16","0.16","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C152 H236 Co4 N4 O64 P12 Ti12 -","2","1","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.3405","GaKα","","0.0808","0.0688","","","0.1755","0.1817","","","","","","1.079","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576564","7.7217","0.0003","15.5478","0.0007","16.9711","0.0007","75.9","0.004","89.379","0.003","83.338","0.003","1962.42","0.15","293","0.14","293","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Br10 In2 N4 -","- C20 H44 Br10 In2 N4 -","- C40 H88 Br20 In4 N8 -","2","1","","Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai","Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission.","Materials horizons","2026","13","6","2802","2808","10.1039/d5mh02322j","","x-ray","0.71073","MoKα","","0.0819","0.0597","","","0.1685","0.1806","","","","","","0.992","","","","has coordinates","305451","2026-04-05","12:29:20",""
"1576565","7.7261","0.0001","15.5423","0.0002","16.9698","0.0002","75.916","0.001","89.357","0.001","83.276","0.001","1962.59","0.04","292.95","0.1","292.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Br10 In2 N4 -","- C20 H44 Br10 In2 N4 -","- C40 H88 Br20 In4 N8 -","2","1","","Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai","Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission.","Materials horizons","2026","13","6","2802","2808","10.1039/d5mh02322j","","x-ray","0.71073","MoKα","","0.0651","0.0457","","","0.1027","0.1093","","","","","","1.043","","","","has coordinates","305451","2026-04-05","12:29:20",""
"1577027","25.0771","0.0019","7.6507","0.0004","12.2423","0.0005","90","","93.709","0.005","90","","2343.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 B O2 S2 -","- C28 H23 B O2 S2 -","- C112 H92 B4 O8 S8 -","4","1","","Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke","Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group.","Materials horizons","2026","13","6","3117","3126","10.1039/d5mh01969a","","x-ray","1.54184","CuKα","","0.099","0.0762","","","0.2166","0.2493","","","","","","1.056","","","","has coordinates,has disorder","305276","2026-04-05","11:13:41",""
"1577028","22.4468","0.0004","8.26896","0.00013","11.32561","0.00016","90","","93.2348","0.0014","90","","2098.82","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bpin-BNTT","","- C24 H21 B O2 S2 -","- C24 H21 B O2 S2 -","- C96 H84 B4 O8 S8 -","4","1","","Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke","Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group.","Materials horizons","2026","13","6","3117","3126","10.1039/d5mh01969a","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0976","0.0998","","","","","","1.073","","","","has coordinates","305276","2026-04-05","11:13:41",""
"2300530","25.321","","3.4013","","11.4614","","90","","90","","90","","987.105","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ta5 P3","","- P3 Ta5 -","- P3 Ta5 -","- P24 Ta40 -","8","1","","Thomas, J.O.; Ersson, N.O.; Andersson, Y.","An X-Ray film powder profile refinement of the crystal structure of Ta5 P3","Journal of Applied Crystallography","1980","13","","605","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","156100","2020-10-21","18:00:00",""
"2310089","3.18","","3.18","","3.9","","90","","90","","120","","34.155","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Pu B2","","- B2 Pu -","- B2 Pu -","- B2 Pu -","1","0.0416667","","McDonald, B.J.; Stuart, W.I.","The crystal structures of some plutonium borides","Acta Crystallographica (1,1948-23,1967)","1960","13","","447","448","10.1107/S0365110X60001059","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310097","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pu B","","- B Pu -","- B Pu -","- B4 Pu4 -","4","0.0208333","","Stuart, W.I.; McDonald, B.J.","The crystal structures of some plutonium borides","Acta Crystallographica (1,1948-23,1967)","1960","13","","447","448","10.1107/S0365110X60001059","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310106","7.1","","7.1","","4.014","","90","","90","","90","","202.346","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Pu B4","","- B4 Pu -","- B4 Pu -","- B16 Pu4 -","4","0.25","","Stuart, W.I.; McDonald, B.J.","The crystal structures of some plutonium borides","Acta Crystallographica (1,1948-23,1967)","1960","13","","447","448","10.1107/S0365110X60001059","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310111","6.18","","8.48","","9.17","","90","","90","","90","","480.567","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs2 O (B2 O3)3","","- B6 Cs2 O10 -","- B6 Cs2 O10 -","- B12 Cs4 O20 -","2","0.5","","Krogh-Moe, J.","The Crystal Structure of Cesium Triborate, Cs2 O (B2 O3)3","Acta Crystallographica (1,1948-23,1967)","1960","13","","889","892","10.1107/S0365110X60002181","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310112","4.14","","4.14","","4.14","","90","","90","","90","","70.958","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Pu B6","","- B6 Pu -","- B6 Pu -","- B6 Pu -","1","0.0208333","","Stuart, W.I.; McDonald, B.J.","The crystal structures of some plutonium borides","Acta Crystallographica (1,1948-23,1967)","1960","13","","447","448","10.1107/S0365110X60001059","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310178","4.87","","8.46","","10.27","","90","","100","","90","","416.698","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ni4 Pu -","- Ni4 Pu -","- Ni24 Pu6 -","6","0.75","","Cromer, D.T.; Larson, A.C.","The crystal structure of Pu Ni4","Acta Crystallographica (1,1948-23,1967)","1960","13","","909","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310181","10.06","","19.45","","8.34","","90","","90","","90","","1631.86","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Hg7 K5 -","- Hg7 K5 -","- Hg28 K20 -","4","0.5","","Duwell, E.J.; Baenziger, N.C.","The crystal structure of K5 Hg7","Acta Crystallographica (1,1948-23,1967)","1960","13","","476","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310282","8.112","","5.102","","10.162","","90","","90","","90","","420.579","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce Cu6 -","- Ce Cu6 -","- Ce4 Cu24 -","4","0.5","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of Ce Cu6","Acta Crystallographica (1,1948-23,1967)","1960","13","","913","918","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310299","10.903","","10.903","","19.342","","90","","90","","120","","1991.24","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Co0.442 Cr0.176 Mo0.382)","","- Co0.442 Cr0.176 Mo0.382 -","- Co0.441415 Cr0.176887 Mo0.381698 -","- Co70.185 Cr28.125 Mo60.69 -","159","8.83333","","Komura, Y.; Sly, W.G.; Shoemaker, D.P.","The crystal structure of the R-phase, Mo-Co-Cr","Acta Crystallographica (1,1948-23,1967)","1960","13","","575","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","145561","2020-10-21","18:00:00",""
"2310440","8.408","","8.163","","3.67","","90","","90","","90","","251.889","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","(N H4) (H F2)","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","McDonald, T.R.R.","The electron density distribution in ammonium bifluoride","Acta Crystallographica (1,1948-23,1967)","1960","13","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310796","3.704","","19.96","","8.2","","90","","111.1","","90","","565.595","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C2 H5 N3 O2)2 Cd Cl2","","- C4 H10 Cd Cl2 N6 O4 -","- C4 Cd Cl2 N6 O4 -","- C8 Cd2 Cl4 N12 O8 -","2","0.5","","Cavalca, L.; Fava, G.; Nardelli, M.","The crystal structure of bis-biuret-cadmium chloride","Acta Crystallographica (1,1948-23,1967)","1960","13","","594","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310797","11.92","","7.28","","15.46","","90","","90","","90","","1341.58","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Zn (S C (N H2) N H N H2) Cl2","","- C H5 Cl2 N3 S Zn -","- C H5 Cl2 N3 S Zn -","- C8 H40 Cl16 N24 S8 Zn8 -","8","1","","Cavalca, L.; Nardelli, M.; Branchi, G.","The crystal structure of monothiosemicarbazide-zinc chloride","Acta Crystallographica","1960","13","9","688","693","10.1107/s0365110x60001679","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2310801","9.61","","5.34","","19.73","","90","","112","","90","","938.767","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na5 (P3 O10)","","- Na5 O10 P3 -","- Na5 O10 P3 -","- Na20 O40 P12 -","4","0.5","","Corbridge, D.E.C.","The crystal structure of sodium triphosphate, Na5 P3 O10, phase I","Acta Crystallographica (1,1948-23,1967)","1960","13","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","161053","2020-10-21","18:00:00",""
"2310826","12.28","","12.28","","12.28","","90","","90","","90","","1851.8","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Na (Al Si O4)","","- Al Na O4 Si -","- Al Na O4 Si -","- Al12 Na12 O48 Si12 -","12","0.25","","Howell, P.A.","A refinement of the cation positions in synthetic zeolite type A","Acta Crystallographica (1,1948-23,1967)","1960","13","","737","741","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310832","4.07","","4.07","","7.124","","90","","90","","120","","102.198","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- La2 O2 Se -","- La2 O2 Se -","- La2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310833","3.975","","3.975","","6.985","","90","","90","","120","","95.581","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 O2 Se -","- Nd2 O2 Se -","- Nd2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310834","3.916","","3.916","","6.912","","90","","90","","120","","91.795","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 Se","","- O2 Se Sm2 -","- O2 Se Sm2 -","- O2 Se Sm2 -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310835","3.873","","3.873","","6.854","","90","","90","","120","","89.037","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 Se -","- Gd2 O2 Se -","- Gd2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310836","3.807","","3.807","","6.766","","90","","90","","120","","84.924","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ho2 O2 Se -","- Ho2 O2 Se -","- Ho2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310837","3.792","","3.792","","6.743","","90","","90","","120","","83.969","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Er2 O2 Se -","- Er2 O2 Se -","- Er2 O2 Se -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310838","3.761","","3.761","","6.697","","90","","90","","120","","82.038","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb2 O2 Se","","- O2 Se Yb2 -","- O2 Se Yb2 -","- O2 Se Yb2 -","1","0.0833333","","Eick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310860","10.52","","13.6","","6.97","","90","","90","","90","","997.212","","","","","","","","","","","","","6","B b e m","-B 2 2ab","64","","Al P O4 (Mn.6667 Fe.3333) (O H)2 (H2 O)","","- Al Fe0.3333 H4 Mn0.6667 O7 P -","- Al Fe0.3333 Mn0.6667 O7 P -","- Al8 Fe2.6664 Mn5.3336 O56 P8 -","8","0.5","","Hanson, A.W.","The Crystal Structure of Eosphorite","Acta Crystallographica (1,1948-23,1967)","1960","13","","384","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","209182","2020-10-21","18:00:00",""
"2310863","6.85","","6.85","","3.83","","90","","90","","120","","155.636","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Rb2 Th F6","","- F6 Rb2 Th -","- F6 Rb2 Th -","- F6 Rb2 Th -","1","0.0833333","","Harris, L.A.","The crystal structure of Rb2 Th F6","Acta Crystallographica (1,1948-23,1967)","1960","13","","502","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310917","10.195","","7.965","","12.936","","90","","90","","90","","1050.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Br4","","- Br4 Cs2 Cu -","- Br4 Cs2 Cu -","- Br16 Cs8 Cu4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The Crystal Structure of Cesium Tetrabromocuprate(II)","Acta Crystallographica (1,1948-23,1967)","1960","13","","807","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310920","8.627","","13.045","","14.408","","90","","115.22","","90","","1466.9","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(Ba0.8 K0.2) ((Al1.77 Si2.23) O8)","","- Al1.77 Ba0.8 K0.2 O8 Si2.23 -","- Al1.77 Ba0.8 K0.2 O8 Si2.23 -","- Al14.16 Ba6.4 K1.6 O64 Si17.84 -","8","1","","Newnham, R.E.; Megaw, H.D.","The crystal structure of celsian (barium felspar)","Acta Crystallographica (1,1948-23,1967)","1960","13","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310923","9.414","","9.492","","6.227","","90","","100.3","","90","","547.463","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H2 N)3 P B H3","","- B H9 N3 P -","- B H9 N3 P -","- B4 H36 N12 P4 -","4","1","","Nordman, C.E.","The Crystal Structure of (H2 N)3 P B H3","Acta Crystallographica (1,1948-23,1967)","1960","13","","535","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310930","9.5","","9.5","","4.82","","90","","90","","120","","376.725","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Fe F2 (H2 O)4","","- F2 Fe H8 O4 -","- F2.0004 Fe O3.9996 -","- F6.0012 Fe3 O11.9988 -","3","0.0833333","","Penfold, B.R.; Taylor, M.R.","The Crystal Structure of a Disordered Form of Iron(II) Fluoride Tetrahydrate","Acta Crystallographica (1,1948-23,1967)","1960","13","","953","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310968","5.927","","5.927","","6.707","","90","","90","","120","","204.046","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ba Zn O2","","- Ba O2 Zn -","- Ba O2 Zn -","- Ba3 O6 Zn3 -","3","0.5","","Spitsbergen, U.","The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2","Acta Crystallographica (1,1948-23,1967)","1960","13","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310969","5.85","","5.85","","6.73","","90","","90","","120","","199.461","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ba Co O2 -","- Ba Co O2 -","- Ba3 Co3 O6 -","3","0.5","","Spitsbergen, U.","The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2","Acta Crystallographica (1,1948-23,1967)","1960","13","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310977","3.934","","3.934","","3.934","","90","","90","","90","","60.884","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nb Zn3 -","- Nb Zn3 -","- Nb Zn3 -","1","0.0208333","","Vold, C.","The structure of Nb Zn3","Acta Crystallographica (1,1948-23,1967)","1960","13","","743","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310988","9.16","","7.08","","7.3","","90","","112.1","","90","","438.642","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(N O2) (Cl O4)","","- Cl N O6 -","- Cl N O6 -","- Cl4 N4 O24 -","4","0.5","","Truter, M.R.; Cruickshank, D.W.J.; Jeffrey, G.A.","The crystal structure of nitronium perchlorate","Acta Crystallographica (1,1948-23,1967)","1960","13","","855","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2311036","4.009","","4.009","","7.031","","90","","90","","120","","97.863","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pr2 O2 Se","","- O2 Pr2 Se -","- O2 Pr2 Se -","- O2 Pr2 Se -","1","0.0833333","","Zick, H.A.","The crystal structure and lattice parameters of some rare earth mono-seleno oxides","Acta Crystallographica (1,1948-23,1967)","1960","13","","161","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000296","11.9921","0.0009","12.3662","0.001","13.916","0.0011","100.178","0.002","98.5","0.002","113.148","0.0017","1813.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Cu6 Mo12 N30 O44 P -","- C36 H24 Cu6 Mo12 N30 O44 P -","- C36 H24 Cu6 Mo12 N30 O44 P -","1","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.071","0.0443","","","0.0918","0.1037","","","","","","1.027","","","","has coordinates,has disorder","264832","2021-05-04","10:26:06",""
"3000297","12.0101","0.0011","12.3947","0.0012","13.9307","0.0013","99.945","0.003","98.598","0.003","113.109","0.003","1823.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cu6 N30 O46 P W12 -","- C36 H30 Cu6 N30 O46 P W12 -","- C36 H30 Cu6 N30 O46 P W12 -","1","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.056","0.0439","","","0.1061","0.1124","","","","","","1.048","","","","has coordinates,has disorder","265103","2021-05-11","13:41:39",""
"3000298","12.6464","0.0006","12.6737","0.0005","23.6803","0.001","83.41","0.001","84.635","0.001","61.333","0.001","3304.9","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 Cu3 Mo12 N20 O47 P -","- C24 H17 Cu3 Mo12 N20 O47 P -","- C48 H34 Cu6 Mo24 N40 O94 P2 -","2","1","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.0509","0.0488","","","0.1045","0.1053","","","","","","1.208","","","","has coordinates,has disorder","265104","2021-05-11","13:53:02",""
"3000299","22.637","0.002","13.9114","0.0014","20.363","0.003","90","","98.915","0.004","90","","6335.1","1.3","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 Cu3 N20 O48 P W12 -","- C24 H16 Cu3 N20 O48 P W12 -","- C96 H64 Cu12 N80 O192 P4 W48 -","4","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.0492","0.0449","","","0.0938","0.0955","","","","","","1.216","","","","has coordinates,has disorder","264833","2021-05-04","10:28:32",""
"3000399","3.2116","0.0001","9.1666","0.0001","8.4581","0.0001","90","","90","","90","","249.002","0.009","","","","","","","","","","","","2","C m c 21","C 2c -2","36","Rhodium gallide (1/3)","","","- Ga12 Rh4 -","- Ga3 Rh -","- Ga12 Rh4 -","4","0.5","","Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian","Isolated Rh atoms in dehydrogenation catalysis","Scientific Reports","2023","13","1","4458","","10.1038/s41598-023-31157-y","","","","","","","","","","","","","","","","","","","","","has coordinates","293369","2024-07-11","06:58:14",""
"3000452","2.7117","","2.7117","","28.776899","","90","","90","","120","","183.256","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289141","2024-01-19","08:01:16",""
"3000453","2.71133","","2.71133","","28.5112","","90","","90","","120","","181.514","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289146","2024-01-19","08:07:50",""
"3000454","2.71174","","2.71174","","28.8244","","90","","90","","120","","183.564","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289142","2024-01-19","08:03:12",""
"3000455","5.05475","","5.05475","","38.8242","","90","","90","","120","","859.078","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289147","2024-01-19","08:08:40",""
"3000456","5.05492","","5.05492","","38.818501","","90","","90","","120","","859.009","","0","","0","","0","","0","","","","","4","P 3 1 m","P 3 -2","157","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289143","2024-01-19","08:04:02",""
"3000457","5.05489","","5.05489","","38.844898","","90","","90","","120","","859.583","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H12 Mg9 O12 -","- C8 H12 Mg9 O12 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289148","2024-01-19","08:09:33",""
"3000458","5.0348","","5.0348","","39.130699","","90","","90","","120","","859.039","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289144","2024-01-19","08:05:10",""
"3000459","5.0346","","5.0346","","39.133801","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289145","2024-01-19","08:06:13",""
"3000460","5.03492","","5.03492","","39.128799","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289149","2024-01-19","08:10:18",""
"3000461","5.02417","","5.02417","","39.2957","","90","","90","","120","","859.022","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289150","2024-01-19","08:10:59",""
"3000462","5.03172","","5.03172","","39.178001","","90","","90","","120","","859.025","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289151","2024-01-19","08:12:32",""
"3000463","5.03194","","5.03194","","39.171398","","90","","90","","120","","858.955","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289152","2024-01-19","08:13:32",""
"4000031","10.1661","0.0006","10.1661","0.0006","5.9306","0.0004","90","","90","","120","","530.81","0.06","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba3 O3 S4 V2 -","- Ba3 O3 S4 V2 -","- Ba6 O6 S8 V4 -","2","0.333333","","Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong","Synthesis and Structural Analysis of Ba3V2O3S4","Chemistry of Materials","2001","13","2","304","307","10.1021/cm000350k","","","0.71073","MoKα","","0.0444","0.0318","","","0.055","0.0604","","","","","","1.206","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000032","10.18","0.0006","15.8992","0.0009","23.2271","0.0012","90","","90","","90","","3759.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H56 N10 O29 P6 Ti3 -","- C10 H35 N10 O29 P6 Ti3 -","- C40 H140 N40 O116 P24 Ti12 -","4","1","","Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin","Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain","Chemistry of Materials","2001","13","1","203","207","10.1021/cm000642l","","","0.71073","MoKα","","0.0603","0.0461","","","0.1132","0.1199","","","","","","1.062","","","","has coordinates","178255","2020-10-21","18:00:00",""
"4000033","15.93","0.004","15.93","0.004","21.213","0.005","90","","90","","90","","5383","2","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mn P11 -","- Eu14 Mn P11 -","- Eu112 Mn8 P88 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.039","0.0279","","","0.0483","0.0513","","","","","","0.968","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000034","16.318","0.002","16.318","0.002","21.684","0.004","90","","90","","90","","5773.7","1.6","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Mn -","- As11 Eu14 Mn -","- As88 Eu112 Mn8 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.0788","0.0459","","","0.0781","0.0887","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000035","7.7102","0.0002","9.4112","0.0002","16.2819","0.0004","94.259","0.001","99.989","0.001","100.99","0.002","1135.14","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cr Gd N8 O6 -","- C12 H20 Cr Gd N8 O6 -","- C24 H40 Cr2 Gd2 N16 O12 -","2","1","","Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing","Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array","Chemistry of Materials","2001","13","5","1431","1433","10.1021/cm000889i","","","0.71073","MoKα","","0.0423","0.0392","","","0.1022","0.104","","","","","","1.136","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000036","5.6171","0.0005","7.7555","0.0001","18.185","0.002","90","","94.719","0.01","90","","789.52","0.09","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000037","5.3737","0.0008","7.9572","0.0001","20.561","0.004","90.001","0.01","97.938","0.01","89.98","0.02","870.7","0.2","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000038","37.17","0.003","5.6947","0.0004","7.6038","0.0006","90","0.005","90","0.005","90","0.005","1609.5","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000039","41.576","0.003","5.4115","0.0002","7.8364","0.0006","90","0.005","90","0.005","90","0.005","1763.1","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000041","12.305","0.002","5.642","0.0007","25.979","0.004","90","","103.401","0.005","90","","1754.5","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O6 -","- C19 H14 N3 O6 -","- C76 H56 N12 O24 -","4","2","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000042","15.7886","0.0011","10.0214","0.0007","16.142","0.0012","90","","106.046","0.006","90","","2454.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","spiro[4,5]([2,1-b:3,4-b']dithieno)decane","","- C14 H14 S2 -","- C14 H14 S2 -","- C112 H112 S16 -","8","2","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0542","0.038","","0.1002","0.0896","","","","1.022","1.043","1.043","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000043","10.6898","0.0009","10.6898","0.0009","12.909","0.0013","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","4-(9-bicyclo[3.3.1]nonanylidene)cyclopenta[2,1-b:3,4-b']dithiophene","","- C18 H18 S2 -","- C18 H18 S2 -","- C72 H72 S8 -","4","0.5","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0676","0.0422","","0.0976","0.0853","","","","1.061","1.076","1.076","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000045","5.086","0.002","11.5","0.003","15.08","0.005","99.01","0.02","90.16","0.03","91.09","0.02","871","0.5","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As F6 O4 S16 -","- C24 H20 As O4 S16 -","- C24 H20 As O4 S16 -","1","0.5","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.71073","MoK-alpha","","","0.074","","","0.085","","","","","2.558","2.558","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000046","8.0813","0.0004","24.418","0.003","6.707","0.002","90.35","0.02","105.766","0.013","95.495","0.008","1267.2","0.4","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 N4 O2 S8 -","- C23 H12 N4 O2 S8 -","- C46 H24 N8 O4 S16 -","2","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000047","6.4216","0.0002","10.099","0.0005","6.5008","0.0003","90","","99.622","0.003","90","","415.66","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn N8 O2 -","- C4 H4 Mn N8 O2 -","- C8 H8 Mn2 N16 O4 -","2","0.5","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang","A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State","Chemistry of Materials","2001","13","6","1946","1948","10.1021/cm000941a","","","0.71073","MoKα","","0.0334","0.0262","","","0.0697","0.0732","","","","","","0.994","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000048","40.131","0.008","7.9554","0.0016","7.2309","0.0014","90","","91.71","0.03","90","","2307.5","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C40 H72 Cl4 Cu N2 -","- C20 H36 Cl2.003 Cu0.501 N -","- C80 H144 Cl8.012 Cu2.004 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1277","0.0797","","","0.2465","0.2803","","","","","","0.941","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000049","7.284","0.002","16.032","0.005","19.029","0.009","90","","92.38","0.06","90","","2220.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C20 H36 Cl2 Cu0.5 N -","- C20 H5 Cl2 Cu0.5 N -","- C80 H20 Cl8 Cu2 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1637","0.0832","","","0.2052","0.2422","","","","","","1.032","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000050","12.5566","0.0006","12.5566","0.0006","32.0324","0.0017","90","","90","","90","","5050.5","0.4","223","2","223","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H84 Ga4 O12 -","- C36 H84 Ga4 O12 -","- C144 H336 Ga16 O48 -","4","0.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0353","0.028","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000051","9.1778","0.0005","17.5206","0.0009","33.606","0.0018","90","","93.985","0.001","90","","5390.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Ga2 O6 -","- C30 H66 Ga2 O6 -","- C180 H396 Ga12 O36 -","6","1.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0387","0.0258","","","0.065","0.0723","","","","","","1.097","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000052","10.1444","0.0008","12.8117","0.001","14.4492","0.0011","90","","92.085","0.001","90","","1876.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ga N O3 -","- C14 H34 Ga N O3 -","- C56 H136 Ga4 N4 O12 -","4","1","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0461","0.0253","","","0.0598","0.0663","","","","","","0.962","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000053","10.3518","0.0008","22.4134","0.0018","8.3186","0.0007","90","","126.149","0.001","90","","1558.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0277","0.0255","","","0.0664","0.0677","","","","","","1.041","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000054","12.0137","0.0002","22.3435","0.0004","7.7738","0.0001","90","","123.509","0.001","90","","1739.89","0.05","198","2","198","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 Cd N2 O5 -","- C16 H12 Cd N2 O5 -","- C64 H48 Cd4 N8 O20 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0545","0.0536","","","0.1444","0.1472","","","","","","1.068","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000055","22.92","0.02","28.738","0.017","22.999","0.013","90","","94.908","0.008","90","","15093","19","193","2","193","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4.35714 -","- C672 H448 Cd28 N56 O122 -","28","7","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1197","0.067","","","0.1559","0.1808","","","","","","1.102","","","","has coordinates","203583","2020-10-21","18:00:00",""
"4000056","22.0278","0.0014","6.7802","0.0004","24.3992","0.0015","90","","105.096","0.001","90","","3518.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O8 Zn2 -","- C36.852 H25 N3 O7.426 Zn2 -","- C147.408 H100 N12 O29.704 Zn8 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1242","0.061","","","0.1845","0.2117","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000057","14.9179","0.0013","12.7554","0.0011","16.3222","0.0014","90","","93.89","0.002","90","","3098.7","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl4 Hg N2 -","- C32 H26 Cl4 Hg N2 -","- C128 H104 Cl16 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0803","0.0502","","","0.1274","0.1391","","","","","","0.992","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000058","15.2145","0.0013","12.7376","0.0011","16.4406","0.0015","90","","94.706","0.002","90","","3175.4","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cl2 Hg N2 -","- C32 H26 Br2 Cl2 Hg N2 -","- C128 H104 Br8 Cl8 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0658","0.0443","","","0.1052","0.111","","","","","","1.002","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000059","8.8775","0.0007","8.8775","0.0007","23.775","0.003","90","","90","","120","","1622.7","0.2","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C6 H28 Cl Co N6 O26 P6 Zn8 -","- C6 H24 Cl Co N6 O26 P6 Zn8 -","- C12 H48 Cl2 Co2 N12 O52 P12 Zn16 -","2","0.166667","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.0423","0.041","","","0.1078","0.1089","","","","","","1.162","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000060","16.623","0.002","30.589","0.005","17.441","0.002","90","","90.352","0.01","90","","8868","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C96 H448 Co16 N96 O256 P64 Zn48 -","8","1","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.1572","0.0515","","","0.0893","0.1101","","","","","","0.899","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000067","7.2214","0.001","7.5155","0.001","14.9226","0.0019","88.007","0.002","82.683","0.002","61.762","0.002","707.39","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) 4,4'-biphenyldisulfonate. (1,2-dimethylnaphthalene) clathrate","","","- C13 H16 N3 O3 S -","- C13.75 H10 N3 O3 S -","- C27.5 H20 N6 O6 S2 -","2","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0812","0.073","","","0.2068","0.2125","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000068","7.308","0.0004","7.4666","0.0005","15.0563","0.0009","90.319","0.001","97.553","0.001","118.995","0.001","710.08","0.08","173","2","173","2","","","","","","","J. Swift, Prof. M. Ward","5","P -1","-P 1","2","98296","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0842","0.0681","","0.1938","0.1692","","","","1.001","1.043","1.043","","","","","has coordinates,has disorder","301811","2025-08-19","19:33:33",""
"4000069","7.5289","0.0004","12.4257","0.0007","25.4206","0.0015","90","","95.539","0.001","90","","2367","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(1,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H10 N3 O3 S -","- C100 H40 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.114","0.0759","","","0.2292","0.2521","","","","","","1.057","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000070","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).3/4(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0723","0.0584","","","0.1679","0.1762","","","","","","1.126","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000071","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).0.75(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0497","0.041","","","0.1121","0.1159","","","","","","1.068","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000072","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.7107","MoKα","","0.1458","0.0703","","","0.19","0.2227","","","","","","0.936","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000073","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C56 H80 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0961","0.0452","","","0.0585","0.0627","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000074","7.5509","0.0007","25.493","0.002","12.0573","0.0012","90","","91.574","0.002","90","","2320.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,3-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0814","0.043","","","0.088","0.095","","","","","","0.852","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000075","31.569","0.002","7.356","0.0005","12.7025","0.0009","90","","109.611","0.003","90","","2778.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(guanidinium)(4,4'-biphenyldisulfonate).(2,6-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0659","0.0453","","","0.1161","0.1235","","","","","","1.005","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000076","7.5382","0.0005","25.5444","0.0016","11.9693","0.0008","90","","92.656","0.001","90","","2302.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0521","0.0384","","","0.0979","0.1029","","","","","","1.046","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000077","13.854","0.0009","77.733","0.005","7.5814","0.0005","90","","121.055","0.001","90","","6994.3","0.8","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,7-dimethylnaphthalene)","","","- C75 H84 N9 O9 S3 -","- C75 H84 N9 O9 S3 -","- C300 H336 N36 O36 S12 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0598","0.0473","","","0.1087","0.1133","","","","","","0.994","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000084","20.383","0.004","6.719","0.001","6.565","0.001","90","","90","","90","","899.1","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Mn2 N2 Se2 -","- C3 H10 Mn2 N2 Se2 -","- C12 H40 Mn8 N8 Se8 -","4","0.5","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0466","0.0367","","","0.0886","0.0924","","","","","","1.147","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000086","11.498","0.006","16.858","0.012","15.235","0.003","90","","104.9","0.1","90","","2854","6","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(hfac)MHY]","","","- C12 H11 Cu F6 O2 -","- C12 Cu F6 O2 -","- C96 Cu8 F48 O16 -","8","2","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0697","","","0.0801","","","","","1.0582","1.0582","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000087","6.918","0.004","10.654","0.007","10.884","0.003","63.28","0.04","71.44","0.04","71.07","0.05","663.5","0.7","238","","238","","","","","","","","","5","P -1","-P 1","2","[Cu(tfac)(MHY)]","","","- C12 H14 Cu F3 O2 -","- C12 H14 Cu F3 O2 -","- C24 H28 Cu2 F6 O4 -","2","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0521","","","0.0632","","","","","0.9909","0.9909","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000088","7.321","0.005","20.312","0.011","9.868","0.006","90","","93.26","0.05","90","","1465","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(pfac)(MHY)]","","","- C12 H10 Cu F7 O2 -","- C12 H10 Cu F7 O2 -","- C48 H40 Cu4 F28 O8 -","4","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0506","","","0.0606","","","","","1.1331","1.1331","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000089","11.6273","0.0018","21.161","0.003","14.706","0.002","90","","103.93","0.003","90","","3512","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H21 N3 O39 U11 -","- N3 O39 U11 -","- N12 O156 U44 -","4","0.5","","Li, Yaping; Cahill, Christopher L.; Burns, Peter C.","Synthesis, Structural Characterization, and Topological Rearrangement of a Novel Open Framework U−O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]","Chemistry of Materials","2001","13","11","4026","4031","10.1021/cm0008359","","","0.71073","MoKα","","0.1613","0.077","","","0.1601","0.1812","","","","","","1.009","","","","has coordinates","192412","2020-10-21","18:00:00",""
"4000095","10.9267","0.0003","10.9267","0.0003","10.9267","0.0003","90","","90","","90","","1304.57","0.06","293","0.2","293","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ga K O14 Te6 -","- Ga K O14 Te6 -","- Ga4 K4 O56 Te24 -","4","0.166667","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0175","0.0173","","0.0462","0.0461","","","","1.319","1.321","1.321","","","","","has coordinates","208250","2020-10-21","18:00:00",""
"4000096","8.8361","0.0006","9.1648","0.0006","9.9531","0.0007","115.395","0.001","93.973","0.001","116.011","0.001","620.63","0.07","293","0.2","","","","","","","","","","5","P -1","-P 1","2","","","","- Ga H3.6 K O7.8 Te2 -","- Ga K O7.8 Te2 -","- Ga3 K3 O23.4 Te6 -","3","1.5","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","","","","0.0271","0.0234","","","0.0619","0.0632","","","","","","1.114","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000110","17.727","0.007","9.722","0.007","20.761","0.006","90","","110.88","0.02","90","","3343","2","301.2","","301.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Ba N6 O5 S2 -","- C28 H42 Ba N6 O5 S2 -","- C112 H168 Ba4 N24 O20 S8 -","4","0.5","","Chan, Suk Hang; Wong, Wing Tak; Chan, Wai Kin","Synthesis and Properties of Polyimide with Diazacrown Ether Moiety and the Corresponding Polymer Barium Complexes","Chemistry of Materials","2001","13","12","4635","4641","10.1021/cm0103500","","","0.7107","MoKalpha","","","0.0406","","","0.0358","","","","","1.255","1.255","","","","","has coordinates","277941","2022-09-17","18:03:31",""
"4000111","6.5447","0.0004","6.5447","0.0004","7.696","0.0006","90","","90","","90","","329.64","0.04","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Eu Ge Li2 S4 -","- Eu Ge Li2 S4 -","- Eu2 Ge2 Li4 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0224","0.0224","","","0.0551","0.0551","","","","","","1.148","","","","has coordinates","277940","2022-09-17","16:36:05",""
"4000683","7.5046","0.0005","10.7097","0.0008","10.7159","0.0008","60.849","0.001","69.918","0.001","85.968","0.001","701.49","0.09","293","0.2","293","0.2","","","","","","","","4","P 1","P 1","1","","","","- H8 K2 O12.2 Te4 -","- K2 O12.2 Te4 -","- K4 O24.4 Te8 -","2","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0316","0.0313","","","0.0856","0.0859","","","","","","1.073","","","","has coordinates","209296","2020-10-21","18:00:00",""
"4000685","16.012","0.002","16.012","0.002","12.447","0.002","90","","90","","120","","2763.7","0.7","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H26 N6 S3 -","- C10 H12 N6 S3 -","- C60 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0827","","","","0.1078","","","","","","0.8824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000686","12.406","0.008","15.535","0.008","10.14","0.009","90","","114.27","0.03","90","","1782","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N6 S3 -","- C10 H26 N6 S3 -","- C40 H104 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0765","","","","0.0944","","","","","","1.0083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000687","16.225","0.002","16.225","0.002","12.488","0.004","90","","90","","120","","2847","1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11 H28 N6 S3 -","- C11 H12 N6 S3 -","- C66 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0922","","","","0.1091","","","","","","0.9657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000688","12.465","0.005","15.555","0.007","10.392","0.004","90","","113.99","0.03","90","","1840.9","1.4","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C44 H112 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0573","","","","0.0673","","","","","","1.0086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000689","12.416","0.0006","30.918","0.0013","10.371","0.0005","90","","113.848","0.003","90","","3641.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C88 H224 N48 S24 -","8","2","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","0.71069","MoKα","","","0.0432","","","","0.0551","","","","","","0.9775","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4000690","12.761","0.0015","15.631","0.002","10.3603","0.0013","90","","117.098","0.011","90","","1839.7","0.4","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.068","","","","0.0747","","","","","","1.086","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4000691","12.746","0.007","15.6205","0.0017","10.3555","0.0014","90","","117.134","0.008","90","","1834.9","1.1","280","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0354","","","","0.0436","","","","","","0.982","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4000692","12.637","0.0014","15.518","0.002","10.293","0.0014","90","","117.38","0.01","90","","1792.4","0.4","120","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0373","","","","0.0434","","","","","","1.038","","","","has coordinates","301811","2025-08-19","19:33:34",""
"4001730","4.697","","21.912","","8.127","","90","","90","","90","","836.436","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au Sn","","- Au Sn Yb -","- Au Sn Yb -","- Au12 Sn12 Yb12 -","12","1.5","","Poettgen, R.; Hoffmann, R.D.; Kussmann, D.; Muellmann, R.; Mosel, B.D.","Secondary Au-Au and Sn-Sn interactions in the superstructure of Yb Au Sn - missing link in the series of K Hg2 superstructures","Chemistry of Materials (1,1989-)","2001","13","","4019","4025","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001744","6.48","","6.68","","6.84","","90","","109.41","","90","","279.251","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li Sr (B O3)","","- B Li O3 Sr -","- B Li O3 Sr -","- B4 Li4 O12 Sr4 -","4","1","","Zhang, H.; Zheng, F.-K.; Lin, Q.-S.; Cheng, W.-D.; Chen, J.-T.","Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M= Sr, Ba) orthoborates","Chemistry of Materials (1,1989-)","2001","13","","1841","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001748","11.043","","6.563","","9.129","","90","","91.47","","90","","661.408","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","La2 Ca (B10 O19)","","- B10 Ca La2 O19 -","- B10 Ca La2 O19 -","- B20 Ca2 La4 O38 -","2","0.5","","Wang, J.-X.; Liu, J.-G.; Fu, P.-Z.; Wu, Y.-C.; Wang, G.-F.; Zhou, H.-Y.; Chen, C.-T.","A new lanthanum and calcium borate La2 Ca Bi10 O19","Chemistry of Materials (1,1989-)","2001","13","","753","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001749","6.372","","7.022","","7.058","","90","","113.89","","90","","288.748","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li Ba (B O3)","","- B Ba Li O3 -","- B Ba Li O3 -","- B4 Ba4 Li4 O12 -","4","1","","Chen, J.-T.; Cheng, W.-D.; Zhang, H.; Lin, Q.-S.; Zheng, F.-K.","Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M = Sr, Ba) orthoborates","Chemistry of Materials (1,1989-)","2001","13","","1841","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001897","2.83961","0.00011","2.83961","0.00011","14.486","0.005","90","","90","","120","","101.16","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.48/0.89/2)","","- Li0.48 Mn0.89 O2 -","- Li0.48 Mn0.89 O2 -","- Li1.44 Mn2.67 O6 -","3","0.0833333","","Raekelboom, E.; Hector, A. L.; Owen, J.; Vitins, G.; Weller, M. T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A~2~Mn~3~O~7~","Chemistry of Materials","2001","13","12","4618","4623","10.1021/cm011105j","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002303","4.9218","","5.6675","","5.8826","","69.49","","91.46","","116.14","","136.34","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Co (W O4)2","","- Co Li2 O8 W2 -","- Co Li2 O8 W2 -","- Co Li2 O8 W2 -","1","0.5","","Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002304","4.907","","5.602","","5.8403","","70.92","","88.52","","115.45","","134.374","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Ni (W O4)2","","- Li2 Ni O8 W2 -","- Li2 Ni O8 W2 -","- Li2 Ni O8 W2 -","1","0.5","","Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002305","4.9669","","5.4969","","5.8883","","70.72","","85.99","","66.04","","138.289","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Cu (W O4)2","","- Cu Li2 O8 W2 -","- Cu Li2 O8 W2 -","- Cu Li2 O8 W2 -","1","0.5","","Alvarez-Vega, M.; Amador, U.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002306","4.2454","","16.636","","5.284","","90","","107.57","","90","","355.781","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(U O2) (I O3)2","","- I2 O8 U -","- I2 O8 U -","- I4 O16 U2 -","2","0.5","","Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.","Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions","Chemistry of Materials (1,1989-)","2001","13","","1266","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002307","8.452","","7.707","","12.271","","90","","90","","90","","799.328","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(U O2) (I O3)2 (H2 O)","","- H2 I2 O9 U -","- I2 O9 U -","- I8 O36 U4 -","4","0.5","","Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.","Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions","Chemistry of Materials (1,1989-)","2001","13","","1266","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002308","5.538","","7.058","","7.12","","107.66","","112.21","","95.65","","238.238","","","","","","","","","","","","","4","P -1","-P 1","2","","Na0.96 Bi3.04 V2 O10","","- Bi3.04 Na0.96 O10 V2 -","- Bi3.046 Na0.952 O10 V2 -","- Bi3.046 Na0.952 O10 V2 -","1","0.5","","Bliesner, R.; Sleight, A.W.; Uma, S.; Yokochi, A.","Structure of Na Bi3 V2 O10 and implications for ionic conductivity","Chemistry of Materials (1,1989-)","2001","13","","3825","3826","","","","","","","","","","","","","","","","","","","","","","has coordinates","146726","2020-10-21","18:00:00",""
"4002309","6.4394","","7.4299","","9.854","","90","","90","","90","","471.456","","","","","","","","","","","","","6","P m c 21","P 2c -2","26","","(N H4) (Co2 (H2 O)2 H V O2 (P O4)2)","","- Co2 H9 N O12 P2 V -","- Co2 N O12 P2 V -","- Co4 N2 O24 P4 V2 -","2","0.5","","Boudin, S.; Raveau, B.; Chardon, J.","A novel cobalt(II) vanadophosphate with a quasi zeolithic intersecting tunnel structure N H4 Co2 (H2 O)2 H V O2 (P O4)2","Chemistry of Materials (1,1989-)","2001","13","","4101","4104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002310","3.89477","","3.89477","","27.6961","","90","","90","","90","","420.129","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr4 Fe (Cr O6) (C O3)","","- C Cr Fe O9 Sr4 -","- C Cr Fe O9 Sr4 -","- C2 Cr2 Fe2 O18 Sr8 -","2","0.0625","","Breard, Y.; Michel, C.; Hervieu, M.; Nguyen, N.; Ducouret, A.; Suard, E.; Studer, F.; Maignan, A.; Raveau, B.","A layered oxycarbonate involving trivalent chromium: Sr4 Fe Cr O6 C O3","Chemistry of Materials (1,1989-)","2001","13","","2423","2429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002311","4.1349","","11.2842","","13.2408","","90","","90","","90","","617.803","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu4 Ga8 Ge16 -","- Eu4 Ga7.9992 Ge16.0008 -","- Eu4 Ga7.9992 Ge16.0008 -","1","0.0625","","Bryan, J.D.; Stucky, G.D.","Eu4 Ga8 Ge16: a new four-coordinate clathrate network","Chemistry of Materials (1,1989-)","2001","13","","253","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002312","10.568","","10.568","","10.568","","90","","90","","90","","1180.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Na2 (H S O4)3","","- Cs H3 Na2 O12 S3 -","- Cs H3 Na2 O12 S3 -","- Cs4 H12 Na8 O48 S12 -","4","0.333333","","Chisholm, C.R.I.; Cowan, L.A.; Klooster, W.T.; Haile, S.M.","Synthesis, structure and properties of compounds in the Na H S O4 - Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3","Chemistry of Materials (1,1989-)","2001","13","","2574","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002313","8.5712","","8.5712","","9.98","","90","","90","","120","","634.957","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Cs2 Na (H S O4)3","","- Cs2 H3 Na O12 S3 -","- Cs2 H3 Na O12 S3 -","- Cs4 H6 Na2 O24 S6 -","2","0.166667","","Chisholm, C.R.I.; Cowan, L.A.; Haile, S.M.; Klooster, W.T.","Synthesis, structure and properties of compounds in the Na H S O4 -Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3","Chemistry of Materials (1,1989-)","2001","13","","2574","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002314","3.8503","","3.8503","","11.2841","","90","","90","","90","","167.285","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Rb0.9 Sr (Nb2 O6 F)","","- F Nb2 O6 Rb0.9 Sr -","- F Nb2 O6 Rb0.9 Sr -","- F Nb2 O6 Rb0.9 Sr -","1","0.0625","","Choy, J.-H.; Kim, J.-Y.; Kim, S.-J.; Sohn, J.-S.","New Dion-Jacobson-type layered perovskite oxyfluorides, A Sr Nb2 O6F (A = Li, Na and Rb)","Chemistry of Materials (1,1989-)","2001","13","","906","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002315","3.8304","","3.8304","","20.837","","90","","90","","90","","305.72","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.9 Sr (Nb2 O6 F)","","- F Li0.9 Nb2 O6 Sr -","- F Li0.9 Nb2 O6 Sr -","- F2 Li1.8 Nb4 O12 Sr2 -","2","0.0625","","Choy, J.-H.; Kim, S.-J.; Kim, J.-Y.; Sohn, J.-S.","New Dion-Jacobson-type layered perovskite oxyfluorides, A Sr Nb2 O6 F (A = Li, Na and Rb)","Chemistry of Materials (1,1989-)","2001","13","","906","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002316","10.7455","","6.3469","","20.48","","90","","104.286","","90","","1353.56","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Ti2 (H P O4)3 (P O4)) (C4 N2 H12)0.5","","- C2 H9 N O16 P4 Ti2 -","- C2 H9 N O16 P4 Ti2 -","- C8 H36 N4 O64 P16 Ti8 -","4","1","","Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Li, B.-Z.; Pang, W.-Q.; Chen, J.-S.; Fu, Y.-L.; Hua, J.","Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates","Chemistry of Materials (1,1989-)","2001","13","","2017","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002317","16.864","","16.864","","12.334","","90","","90","","120","","3037.78","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","(Ti7 (H P O4)6 (P O4)6) (C6 N2 H14)","","- C6 H20 N2 O48 P12 Ti7 -","- C6 N2 O48 P12 Ti7 -","- C18 N6 O144 P36 Ti21 -","3","0.166667","","Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Hua, J.; Chen, J.-S.; Li, B.-Z.; Fu, Y.-L.; Pang, W.-Q.","Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates","Chemistry of Materials (1,1989-)","2001","13","","2017","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","146867","2020-10-21","18:00:00",""
"4002318","3.76932","","3.76932","","12.6641","","90","","90","","90","","179.929","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.9 La1.1) (Al0.9 Mg0.1) O4","","- Al0.9 La1.1 Mg0.1 O4 Sr0.9 -","- Al0.9 La1.1 Mg0.1 O4 Sr0.9 -","- Al1.8 La2.2 Mg0.2 O8 Sr1.8 -","2","0.0625","","Magrez, A.; Cochet, M.; Louarn, G.; Joubert, O.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146962","2020-10-21","18:00:00",""
"4002319","3.79121","","3.79121","","12.6821","","90","","90","","90","","182.283","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.7 La1.3) (Al0.7 Mg0.3) O4","","- Al0.7 La1.3 Mg0.3 O4 Sr0.7 -","- Al0.7 La1.3 Mg0.3 O4 Sr0.7 -","- Al1.4 La2.6 Mg0.6 O8 Sr1.4 -","2","0.0625","","Magrez, A.; Louarn, G.; Joubert, O.; Cochet, M.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146964","2020-10-21","18:00:00",""
"4002320","3.80413","","3.80413","","12.6852","","90","","90","","90","","183.573","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.6 La1.4) (Al0.6 Mg0.4) O4","","- Al0.6 La1.4 Mg0.4 O4 Sr0.6 -","- Al0.6 La1.4 Mg0.4 O4 Sr0.6 -","- Al1.2 La2.8 Mg0.8 O8 Sr1.2 -","2","0.0625","","Magrez, A.; Ganne, M.; Cochet, M.; Chauvet, O.; Joubert, O.; Louarn, G.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146966","2020-10-21","18:00:00",""
"4002321","3.81611","","3.81611","","12.6832","","90","","90","","90","","184.702","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.5 La1.5) (Al0.5 Mg0.5) O4","","- Al0.5 La1.5 Mg0.5 O4 Sr0.5 -","- Al0.5 La1.5 Mg0.5 O4 Sr0.5 -","- Al La3 Mg O8 Sr -","2","0.0625","","Magrez, A.; Cochet, M.; Joubert, O.; Louarn, G.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146968","2020-10-21","18:00:00",""
"4002322","3.84414","","3.84414","","12.671","","90","","90","","90","","187.245","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.3 La1.7) (Al0.3 Mg0.7) O4","","- Al0.3 La1.7 Mg0.7 O4 Sr0.3 -","- Al0.3 La1.7 Mg0.7 O4 Sr0.3 -","- Al0.6 La3.4 Mg1.4 O8 Sr0.6 -","2","0.0625","","Magrez, A.; Cochet, M.; Ganne, M.; Joubert, O.; Louarn, G.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146970","2020-10-21","18:00:00",""
"4002323","6.1413","","6.1413","","11.4122","","90","","90","","120","","372.753","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ho (Mn O3)","","- Ho Mn O3 -","- Ho Mn O3 -","- Ho6 Mn6 O18 -","6","0.5","","Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T.","Evolution of the magnetic structure of hexagonal Ho Mn O3 from neutron powder diffraction data","Chemistry of Materials (1,1989-)","2001","13","","1497","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002324","23.2272","","7.1751","","6.9727","","90","","90","","90","","1162.05","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Na8 (Ti5 H2 Si12 O39) (H2 O)8.45","","- H18.9 Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Tsapatsis, M.; Chandrasekaran, A.; Kuznicki, S.M.; Braunbarth, C.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147220","2020-10-21","18:00:00",""
"4002325","23.19","","7.2259","","6.9699","","90","","90","","90","","1167.94","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Na0.5 Sr4 (Ti5 H1.5 Si12 O39) (H2 O)8.05","","- H17.6 Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Chandrasekaran, A.; Tsapatsis, M.; Braunbarth, C.; Kuznicki, S.M.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147222","2020-10-21","18:00:00",""
"4002326","12.736","","7.3392","","15.061","","90","","105.29","","90","","1357.95","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb2 (Ti Si6 O15)","","- O15 Rb2 Si6 Ti -","- O15 Rb2 Si6 Ti -","- O60 Rb8 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002327","12.57","","7.2534","","15.082","","90","","106.49","","90","","1318.55","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K2 (Ti Si6 O15)","","- K2 O15 Si6 Ti -","- K2 O15 Si6 Ti -","- K8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002328","4.122979","","4.122979","","18.65868","","90","","90","","90","","317.178","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr2 (Mn0.996 Zn1.88 As2 O2)","","- As2 Mn0.996 O2 Sr2 Zn1.88 -","- As2 Mn0.996 O2 Sr2 Zn1.88 -","- As4 Mn1.992 O4 Sr4 Zn3.76 -","2","0.0625","","Ozawa, T.C.; Kauzlarich, S.M.; Gardner, J.S.; Wiebe, C.R.; Bieringer, M.; Greedan, J.E.","The effect of interlayer cations on the magnetic properties of the mixed-metal pnictide oxides: A2 Mn Zn2 As2 O2 (A = Sr, Ba)","Chemistry of Materials (1,1989-)","2001","13","","973","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","147340","2020-10-21","18:00:00",""
"4002329","6.61909","","6.83962","","7.5282","","105.773","","106.841","","111.632","","274.398","","","","","","","","","","","","","3","P -1","-P 1","2","","Na2 (Mn3 O7)","","- Mn3 Na2 O7 -","- Mn3 Na2 O7 -","- Mn6 Na4 O14 -","2","1","","Raekelboom, E.; Hector, A.L.; Owen, J.; Vitins, G.; Weller, M.T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A2 Mn3 O7","Chemistry of Materials (1,1989-)","2001","13","","4618","4623","","","","","","","","","","","","","","","","","","","","","","has coordinates","147464","2020-10-21","18:00:00",""
"4002330","8.58","","8.58","","5.788","","90","","90","","90","","426.092","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2.08 Cu0.84 O4 -","- Bi2.08 Cu0.84 O4 -","- Bi8.32 Cu3.36 O16 -","4","0.25","","Henry, N.; Mentre, O.; Boivin, J.C.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002331","8.535","","8.535","","5.812","","90","","90","","90","","423.382","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Bi2 Pb0.04 Cu0.92 O4","","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi8 Cu3.68 O16 Pb0.16 -","4","0.25","","Henry, N.; Boivin, J.C.; Mentre, O.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","147470","2020-10-21","18:00:00",""
"4002332","3.8611","","3.8611","","12.4258","","90","","90","","90","","185.245","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La0.5 Sr1.5) (Mn O4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Hong, C.S.; Lee, K.W.; Kim, W.S.; Hur, N.H.; Chi, E.O.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002333","3.8362","","3.8362","","12.395","","90","","90","","90","","182.41","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pr0.5 Sr1.5) (Mn O4)","","- Mn O4 Pr0.5 Sr1.5 -","- Mn O4 Pr0.5 Sr1.5 -","- Mn2 O8 Pr Sr3 -","2","0.0625","","Hong, C.S.; Chi, E.O.; Lee, K.W.; Hur, N.H.; Kim, W.S.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002334","3.8311","","3.8311","","12.3685","","90","","90","","90","","181.537","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Nd0.5 Sr1.5) (Mn O4)","","- Mn Nd0.5 O4 Sr1.5 -","- Mn Nd0.5 O4 Sr1.5 -","- Mn2 Nd O8 Sr3 -","2","0.0625","","Hong, C.S.; Hur, N.H.; Chi, E.O.; Kim, W.S.; Lee, K.W.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002335","4.849","","8.216","","28.317","","90","","90.52","","90","","1128.08","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na Rb2 Al2 (P O4)3","","- Al2 Na O12 P3 Rb2 -","- Al2 Na O12 P3 Rb2 -","- Al8 Na4 O48 P12 Rb8 -","4","1","","Huang, Q.; Hwu, S.-J.","High-temperature synthesis of two new aluminophosphates, Na Rb2 Al2(P O4)3 and Na Cs2 Al (P O4)2 in molten alkali metal chloride media","Chemistry of Materials (1,1989-)","2001","13","","1794","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002336","10.992","","9.192","","18.998","","90","","90.35","","90","","1919.49","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na Cs2 Al (P O4)2","","- Al Cs2 Na O8 P2 -","- Al Cs2 Na O8 P2 -","- Al8 Cs16 Na8 O64 P16 -","8","2","","Huang, Q.; Hwu, S.-J.","High-temperature synthesis of two new aluminophosphates, Na Rb2 Al2(P O4)3 and Na Cs2 Al (P O4)2 in molten alkali metal chloride media","Chemistry of Materials (1,1989-)","2001","13","","1794","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002337","13.4931","","4.1558","","24.876","","90","","96.571","","90","","1385.75","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 Bi8 Se13","","- Bi8 Rb2 Se13 -","- Bi8 Rb2 Se13 -","- Bi16 Rb4 Se26 -","2","0.5","","Iordanidis, L.; Kyratsi, T.; Brazis, P.W.; Ireland, J.; Ghelani, N.; Kannewurf, C.R.; Lane, M.; Chen, W.; Uher, C.; Kanatzidis, M.G.; Hogan, T.; Dyck, J.S.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147610","2020-10-21","18:00:00",""
"4002338","13.704","","4.1532","","25.008","","90","","96.848","","90","","1413.19","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs2 Bi8 Se13","","- Bi8 Cs2 Se13 -","- Bi8 Cs2 Se13 -","- Bi16 Cs4 Se26 -","2","0.5","","Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Ireland, J.; Lane, M.; Kannewurf, C.R.; Dyck, J.S.; Ghelani, N.; Chen, W.; Uher, C.; Hogan, T.; Kanatzidis, M.G.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147612","2020-10-21","18:00:00",""
"4002339","23.421","","4.1877","","13.71","","90","","90","","90","","1344.68","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Bi3.67 Se6","","- Bi3.67 Cs Se6 -","- Bi3.67 Cs Se6 -","- Bi14.68 Cs4 Se24 -","4","0.5","","Iordanidis, L.; Hogan, T.; Brazis, P.W.; Kanatzidis, M.G.; Kyratsi, T.; Ireland, J.; Uher, C.; Lane, M.; Chen, W.; Kannewurf, C.R.; Ghelani, N.; Dyck, J.S.","A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002340","26.157","","26.157","","4.3245","","90","","90","","120","","2562.37","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba1.073 Bi2 Se4 -","- Ba1.07267 Bi2 Se4 -","- Ba12.872 Bi24 Se48 -","12","1","","Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Kanatzidis, M.G.; Ireland, J.; Hogan, T.; Lane, M.; Kannewurf, C.R.; Chen, W.; Ghelani, N.; Dyck, J.S.; Uher, C.","A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002341","17.991","","6.648","","10.765","","90","","90","","90","","1287.54","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Na4 Mn3 (P O4)2 (P2 O7)","","- Mn3 Na4 O15 P4 -","- Mn3 Na4 O15 P4 -","- Mn12 Na16 O60 P16 -","4","1","","Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C.","Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni)","Chemistry of Materials (1,1989-)","2001","13","","1334","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002342","9.5804","","9.5804","","2.8436","","90","","90","","90","","260.997","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sn Mo4 O6","","- Mo4 O6 Sn -","- Mo4 O6 Sn -","- Mo8 O12 Sn2 -","2","0.125","","Jung, D.; Kim, S.-J.; Lee, B.-H.; Kang, W.","Synthesis, characterization, and electronic structure of a new molybdenum bronze Sn Mo4 O6","Chemistry of Materials (1,1989-)","2001","13","","1625","1629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002343","5.5073","","5.4936","","25.5095","","90","","90","","90","","771.787","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.81 Sr0.14 Bi2.05 Nb2 O9","","- Bi2.05 Nb2 O9 Pb0.81 Sr0.14 -","- Bi2.05 Nb2 O9 Pb0.81 Sr0.14 -","- Bi8.2 Nb8 O36 Pb3.24 Sr0.56 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002344","5.5066","","5.4966","","25.4567","","90","","90","","90","","770.513","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.75 Sr0.24 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.75 Sr0.24 -","- Bi2.01 Nb2 O9 Pb0.75 Sr0.24 -","- Bi8.04 Nb8 O36 Pb3 Sr0.96 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002345","5.5067","","5.4985","","25.3852","","90","","90","","90","","768.628","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.62 Sr0.38 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.62 Sr0.38 -","- Bi2.01 Nb2 O9 Pb0.62 Sr0.38 -","- Bi8.04 Nb8 O36 Pb2.48 Sr1.52 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002346","5.5074","","5.5034","","25.3326","","90","","90","","90","","767.817","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.49 Sr0.50 Bi2 Nb2 O9","","- Bi2 Nb2 O9 Pb0.49 Sr0.5 -","- Bi2 Nb2 O9 Pb0.49 Sr0.5 -","- Bi8 Nb8 O36 Pb1.96 Sr2 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002347","5.514","","5.5109","","25.28779","","90","","90","","90","","768.423","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.38 Sr0.63 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.38 Sr0.63 -","- Bi2.01 Nb2 O9 Pb0.38 Sr0.63 -","- Bi8.04 Nb8 O36 Pb1.52 Sr2.52 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002348","5.5222","","5.5191","","25.24681","","90","","90","","90","","769.462","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.25 Sr0.76 Bi1.99 Nb2 O9","","- Bi1.99 Nb2 O9 Pb0.25 Sr0.76 -","- Bi1.99 Nb2 O9 Pb0.25 Sr0.76 -","- Bi7.96 Nb8 O36 Pb Sr3.04 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002349","5.5136","","5.511","","25.138","","90","","90","","90","","763.829","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.16 Sr0.855 Bi1.985 Nb2 O9","","- Bi1.985 Nb2 O9 Pb0.16 Sr0.855 -","- Bi1.985 Nb2 O9 Pb0.16 Sr0.855 -","- Bi7.94 Nb8 O36 Pb0.64 Sr3.42 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002350","7.371","","26.373","","8.827","","90","","106.777","","90","","1642.89","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H0.6 (V O)3 (P O4)3 (H2 O)3) (H2 O)4","","- H14.6 O22 P3 V3 -","- H14.6 O22 P3 V3 -","- H58.4 O88 P12 V12 -","4","1","","Shpeizer, B.; Heysing, J.M.; Ouyang, X.; Clearfield, A.","Synthesis and crystal structure of a new vanadyl phosphate (H0.6 (V O)3 (P O4)3 (H2 O)3) * 4(H2 O) and its conversion to porous products","Chemistry of Materials (1,1989-)","2001","13","","2288","2296","","","","","","","","","","","","","","","","","","","","","","has coordinates","147848","2020-10-21","18:00:00",""
"4002351","3.91038","","3.91038","","18.8342","","90","","90","","90","","287.995","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Bi3 Pb2 Nb2 O11 Cl","","- Bi3 Cl Nb2 O11 Pb2 -","- Bi3 Cl Nb2 O11 Pb2 -","- Bi3 Cl Nb2 O11 Pb2 -","1","0.0625","","Kusainova, A.M.; Lightfoot, P.; Dolgikh, V.A.; Zhou, W.-Z.; Mosunov, A.V.; Stefanovich, S.Yu.","Ferroelectric properties and crystal structure of the layered intergrowth phase Bi3 Pb2 Nb2 O11 Cl","Chemistry of Materials (1,1989-)","2001","13","","4731","4737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002352","8.7173","","8.5889","","4.9673","","90","","90","","90","","371.912","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(N H4) Be (P O4)","","- Be H4 N O4 P -","- Be H4 N O4 P -","- Be4 H16 N4 O16 P4 -","4","1","","Zhang, H.-Y.; Zhao, D.-Y.; Shi, Z.; Chen, M.-Q.; Zhou, Y.-M.; Xu, X.; Bu Xianhui","Hydrothermal synthesis of new pure beryllophosphate molecular sieve phases from concentrated amines","Chemistry of Materials (1,1989-)","2001","13","","2042","2048","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002359","15.471","","7.239","","12.064","","90","","90","","90","","1351.1","","","","","","","","","","","","","5","I m 2 m","I -2 -2","44","","Cs3 ((U O2)3 O2 (O H)3)2 Cl (H2 O)3","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.25","","Li, Y.-P.; Cahill, C.L.; Burns, P.C.","Synthesis, structural characterization and topological rearrangement of a novel open framework U-O material: (N H4)3 (H2 O)2 ((U O2)10 O10 (O H) ((U O4) (H2 O)2)","Chemistry of Materials (1,1989-)","2001","13","","4026","4041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002560","10.431","","6.0947","","4.7366","","90","","90","","90","","301.124","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mn (P O4)","","- Li Mn O4 P -","- Li Mn O4 P -","- Li4 Mn4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Amador, U.; Alvarez-Vega, M.; Sanjuan, M.L.; Gallardo Amores, J.M.; Garcia-Jaca, J.; Garcia-Alvarado, F.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Chemistry of Materials (1,1989-)","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002652","6.5224","0.0005","6.5224","0.0005","7.7603","0.0008","90","","90","","90","","330.14","0.05","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 Pb S4 -","- Ge Li2 Pb S4 -","- Ge2 Li4 Pb2 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0253","0.0253","","","0.0646","0.0646","","","","","","1.114","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002851","27.3847","0.001","5.01906","0.00016","17.1935","0.0006","90","","97.3103","0.002","90","","2343.96","0.14","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Dmytro V. Dudenko; P. Andrew Williams; Colan E. Hughes; Oleg N. Antzutkin; Sitaram P. Velaga; Steven P. Brown; Kenneth D. M. Harris","Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids","The Journal of Physical Chemistry. C, Nanomaterials and Interfaces","2013","13","","12258","12265","10.1021/jp4041106","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4031660","5.85","","3.48","","5.5","","90","","107.5","","90","","106.787","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ag O -","- Ag O -","- Ag4 O4 -","4","1","","McMillan, J.A.","Magnetic properties and crystalline structure of Ag O","Journal of Inorganic and Nuclear Chemistry","1960","13","","28","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4032426","7.5018","0.0012","12.743","0.002","13.473","0.002","65.335","0.004","79.309","0.004","86.703","0.004","1149.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C48 H56 N4 O8 S4 -","2","1","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.1401","0.0822","","","0.1841","0.206","","","","","","1.078","","","","has coordinates","301828","2025-08-20","10:32:31",""
"4032427","9.1158","0.0006","9.4944","0.0007","9.9154","0.0007","61.548","0.001","71.971","0.001","72.698","0.001","705.83","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Suleymanov, Abdusalom A.; Vasilyev, Dmitry V.; Novikov, Valentin V.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Unpredictable cycloisomerization of 1,11-dien-6-ynes by a common cobalt catalyst","Beilstein Journal of Organic Chemistry","2017","13","","639","","10.3762/bjoc.13.62","","","0.71073","MoKα","","0.0529","0.0439","","","0.1036","0.1102","","","","","","1.003","","","","has coordinates","301828","2025-08-20","10:32:31",""
"4331393","12.1449","0.0006","23.93","0.0012","22.425","0.0011","90","","102.462","0.002","90","","6363.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 N24 Ni2 O13 -","- C57 H76 N24 Ni2 O13 -","- C228 H304 N96 Ni8 O52 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Duane Choquesillo-Lazarte","Structure of the first dinuclear Ni(II) complex with an azapurine derivative (the anionic form of 4,6-dimethyl-1,2,3-triazolo[4,5-d]pyrimidin-5,7-dione)","Inorganic Chemistry Communications","2010","13","","1081","1084","10.1016/j.inoche.2010.06.020","","","1.54178","CuKα","","0.0897","0.0884","","","0.2317","0.234","","","","","","1.194","","","","has coordinates,has Fobs","179416","2020-10-21","18:00:00",""
"4331414","9.115","","8.542","","15.726","","90","","90","","90","","1224.43","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Xe2 F11) (Au F6)","","- Au F17 Xe2 -","- Au F17 Xe2 -","- Au4 F68 Xe8 -","4","0.5","","Bartlett, N.; Zalkin, A.; Leary, K.","Crystal structure of (Xe2 F11) (Au F6) and the Raman spectrum of Xe2 F11+","Inorganic Chemistry","1974","13","","775","779","10.1021/ic50134a003","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331464","12.8898","0.0008","13.2775","0.0008","22.3559","0.0014","90","","91.011","0.001","90","","3825.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Ag F3 N12 O6 S -","- C34 H36 Ag F3 N12 O6 S -","- C136 H144 Ag4 F12 N48 O24 S4 -","4","1","","Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith","Synthesis of a tritopic, third-generation bis(1-pyrazolyl)methane ligand and its silver(I) complex: Unexpected structure with high coordination numbers","Inorganic Chemistry Communications","2010","13","4","568","572","10.1016/j.inoche.2010.02.006","","","0.71073","MoKα","","0.0349","0.0307","","","0.0749","0.0769","","","","","","1.04","","","","has coordinates,has disorder","179417","2020-10-21","18:00:00",""
"4343555","5.886","","16.564","","8.051","","90","","91.57","","90","","784.643","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Xe F5) (As F6)","","- As F11 Xe -","- As F11 Xe -","- As4 F44 Xe4 -","4","1","","Bartlett, N.; de Boer, B.G.; Sladky, F.O.; Hollander, F.J.; Zalkin, A.; Templeton, D.H.","Crystal Structures of (Xe F3) (As F6) and (Xe F5) (As F6)","Inorganic Chemistry","1974","13","","780","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343584","10.72","","10.72","","10.72","","90","","90","","90","","1231.93","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Cs2 Li Ir (C N)6","","- C6 Cs2 Ir Li N6 -","- C6 Cs2 Ir Li N6 -","- C24 Cs8 Ir4 Li4 N24 -","4","0.0208333","","Ryan, R.R.; Swanson, B.I.","Bonding in Trivalent Transition Metal Cyanides. Crystal Structures of Cs2 Li M (C N)6 (M = Cr, Ir)","Inorganic Chemistry","1974","13","","1681","1684","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343630","9.229","","9.097","","9.341","","90","","92.49","","90","","783.495","","","","","","","","","","","","","6","I 1 2 1","I 2y","5","","K4 (V (C N)7) (H2 O)2","","- C7 H4 K4 N7 O2 V -","- C7 K4 N7 O2 V -","- C14 K8 N14 O4 V2 -","2","0.5","","Levenson, R.A.; Towns, R.L.R.","Crystal and molecular structure of potassium heptacyanovanadate(III) dihydrate","Inorganic Chemistry","1974","13","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343686","12.093","","12.093","","12.093","","90","","90","","90","","1768.49","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Co4 Na4 (Si12 Al12 O48)) (C O)4","","- C4 Al12 Co4 Na4 O52 Si12 -","- C4 Al12 Co4 Na4 O52 Si12 -","- C4 Al12 Co4 Na4 O52 Si12 -","1","0.0208333","","Riley, P.E.; Seff, K.","Crystal structures of dehydrated partially cobalt(II)exchanged zeolite A and of its carbon monoxide adduct","Inorganic Chemistry","1974","13","","1355","1360","","","","","","","","","","","","","","","","","","","","","","has coordinates","146064","2020-10-21","18:00:00",""
"4343695","12.268","","12.268","","12.268","","90","","90","","90","","1846.38","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Mn4.5 Na3 Si12 Al12 O48 (H2 O)26.5","","- Al12 H53 Mn4.5 Na3 O74.5 Si12 -","- Al12 Mn4.5 Na3 O74.5 Si12 -","- Al12 Mn4.5 Na3 O74.5 Si12 -","1","0.0208333","","Yanagida, R.Y.; Seff, K.; Vance, T.B.jr.","Five-coordinate and three-coordinate manganese(II). Hydrated and dehydrated crystal structures of partially manganese(II) -exchanged zeolite A","Inorganic Chemistry","1974","13","","723","727","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344138","10.82","","4.437","","10.41","","90","","98.37","","90","","494.444","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","B2 H4 (C O)2","","- C2 H4 B2 O2 -","- C2 H4 B2 O2 -","- C8 H16 B8 O8 -","4","0.5","","Rathke, J.W.; Schaeffer, R.","Bis(carbonyl)diborane(4)","Inorganic Chemistry","1974","13","","760","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","157701","2020-10-21","18:00:00",""
"4344263","10.49","","14.26","","18.77","","90","","90","","90","","2807.75","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni2 ((C F3)2 P S P (C F3)2)2 (C O)3","","- C11 F24 Ni2 O3 P4 S2 -","- C11 F24 Ni2 O3 P4 S2 -","- C44 F96 Ni8 O12 P16 S8 -","4","0.5","","Einspahr, H.; Donohue, J.","Crystal and Molecular Structure of mue-Carbonyl-di-mue-(bis(bis(trifluoromethyl)phosphino) ulfur-P,P')-bis(carbonylnickel)","Inorganic Chemistry","1974","13","","1839","1840","","","","","","","","","","","","","","","","","","","","","","has coordinates","163538","2020-10-21","18:00:00",""
"4344507","11.082","","11.082","","11.082","","90","","90","","90","","1360.99","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 (Np Br6)","","- Br6 Cs2 Np -","- Br6 Cs2 Np -","- Br24 Cs8 Np4 -","4","0.0208333","","Magette, M.; Fuger, J.","Preparation, crystal structure and enthalpy of formation of dicesium hexabromoneptunate","Inorganic and Nuclear Chemistry Letters","1977","13","","529","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4350815","10.9224","0.0007","11.6539","0.0007","12.4","0.0008","102.481","0.005","102.285","0.006","117.618","0.006","1273","0.19","123","2","123","2","","","","","","","","8","P 1","P 1","1","","","","- C52 H38 F6 N O9 P2 S2 Tb -","- C52 H38 F6 N O9 P2 S2 Tb -","- C52 H38 F6 N O9 P2 S2 Tb -","1","1","","Teotonio, Ercules E.S.; Silva, Francisco A.; Pereira, Dariston K.S.; Santo, Lidiaine M.; Brito, Hermi F.; Faustino, Wagner M.; Felinto, Maria Cláudia F.C.; Santos, Regina Helena; Moreno-Fuquen, Rodolfo; Kennedy, Alan R.; Gilmore, Denise","Luminescence enhancement of the Tb(III) ion with the thenoyltrifluoroacetonate ligand acting as an efficient sensitizer","Inorganic Chemistry Communications","2010","13","12","1391","1395","10.1016/j.inoche.2010.07.043","","","0.71073","MoKα","","0.0567","0.0421","","","0.0676","0.0709","","","","","","0.888","","","","has coordinates,has disorder","272319","2022-01-28","09:18:51",""
"4501438","10.7281","0.0012","11.1802","0.0015","14.3213","0.0019","101.425","0.001","102.836","0.001","112.312","0.002","1471.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","2","","Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang","Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.","ACS combinatorial science","2011","13","1","84","88","10.1021/co100034v","","","0.71073","MoKα","","0.106","0.0476","","","0.0844","0.094","","","","","","1.027","","","","has coordinates,has disorder","301842","2025-08-21","00:37:09",""
"4501439","6.4434","0.0006","11.249","0.0012","11.3527","0.0014","115.042","0.002","104.481","0.001","94.405","0.001","706.01","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C30 H30 N6 O2 S2 -","2","1","","Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang","Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.","ACS combinatorial science","2011","13","1","84","88","10.1021/co100034v","","","0.71073","MoKα","","0.079","0.0518","","","0.1226","0.1358","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501440","17.5878","0.0016","10.5568","0.001","16.1787","0.0015","90","","97.404","0.002","90","","2978.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C144 H120 Cl8 N16 -","8","1","","Liu, Guannan; Zhou, Yu; Lin, Daizong; Wang, Jinfang; Zhang, Lei; Jiang, Hualiang; Liu, Hong","Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.","ACS combinatorial science","2011","13","3","209","213","10.1021/co1000844","","","0.71073","MoKα","","0.0567","0.0465","","","0.1225","0.1292","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501441","7.632","0.0004","18.751","0.0009","11.424","0.0005","90","","97.479","0.001","90","","1620.95","0.14","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 6-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)-2-methylnicotinate","","- C18 H18 F N O3 -","- C18 H18 F N O3 -","- C72 H72 F4 N4 O12 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0812","0.0723","","","0.2123","0.2225","","","","","","1.047","","","","has coordinates,has disorder","301842","2025-08-21","00:37:09",""
"4501442","6.1224","0.0006","13.5559","0.0013","17.1158","0.0016","90","","94.031","0.002","90","","1417","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(5-chlorothiophen-2-yl)-6,6-dimethyl-7,8-dihydroquinolin-5(6H)-one","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0668","0.0595","","","0.1265","0.1304","","","","","","1.245","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501443","8.3406","0.0009","6.4842","0.0007","28.312","0.003","90","","98.158","0.002","90","","1515.7","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6-bis(hydroxymethyl)-2-p-tolyl-7,8-dihydroquinolin-5(6H)-one","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.1013","0.0751","","","0.1385","0.1492","","","","","","1.169","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501444","24.984","0.002","7.5435","0.0006","13.9681","0.0011","90","","90","","90","","2632.5","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Dimethylamino-1-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)propenone","","- C14 H16 F N O2 -","- C14 H16 F N O2 -","- C112 H128 F8 N8 O16 -","8","2","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0418","0.0376","","","0.1007","0.1043","","","","","","1.06","","","","has coordinates,has disorder","301842","2025-08-21","00:37:09",""
"4501445","11.89","0.002","17.956","0.004","12.679","0.003","90","","113.643","0.004","90","","2479.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F N O3 -","- C32 H24 F N O3 -","- C128 H96 F4 N4 O12 -","4","1","","Aggarwal, Trapti; Imam, Maryam; Kaushik, Naveen K.; Chauhan, Virander S.; Verma, Akhilesh K.","Pyrano[4,3-b]quinolines library generation via iodocyclization and palladium-catalyzed coupling reactions.","ACS combinatorial science","2011","13","5","530","536","10.1021/co200100z","","","0.71073","MoKα","","0.1605","0.0932","","","0.2091","0.2352","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501446","22.9061","0.0019","22.9061","0.0019","14.7776","0.0013","90","","90","","90","","7753.7","1.1","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C352 H256 Cl16 N48 O16 -","16","1","","Wang, Shu-Liang; Ding, Jie; Jiang, Bo; Gao, Yuan; Tu, Shu-Jiang","Microwave-assisted solvent-dependent reaction: chemoselective synthesis of quinoxalin-2(1H)-ones, benzo[d]imidazoles and dipeptides.","ACS combinatorial science","2011","13","5","572","577","10.1021/co2001247","","","0.71073","MoKα","","0.153","0.0491","","","0.0718","0.0853","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4507157","9.7285","0.0003","8.443","","8.4433","0.0002","90","","90","","90","","693.51","0.03","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0254","0.022","","","0.0467","0.0471","","","","","","0.965","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507158","13.0959","0.0019","13.0959","0.0019","13.65","0.003","90","","90","","120","","2027.4","0.6","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C18 H28 Cd5 N36 O -","- C18 H27.99 Cd5 N36 O -","- C36 H55.98 Cd10 N72 O2 -","2","0.166667","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.1272","0.0953","","","0.277","0.2961","","","","","","1.086","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507159","22.2366","0.0002","22.2366","0.0002","18.6742","0.0003","90","","90","","90","","9233.76","0.19","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H19 Cd6 Cl6 N24 O0.5 -","- C12 H18 Cd6 Cl6 N24 O0.5 -","- C96 H144 Cd48 Cl48 N192 O4 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0792","0.0515","","","0.1205","0.134","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507160","32.703","0.011","14.7164","0.0012","13.4949","0.0013","90","","91.808","0.018","90","","6491","2","288","2","288","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C50 H82 N14 Ni2 O24 -","- C50 H82 N14 Ni2 O24 -","- C200 H328 N56 Ni8 O96 -","4","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0694","0.0505","","","0.1291","0.1462","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507161","8.0276","0.0007","10.9031","0.0008","16.9025","0.0013","71.996","0.007","82.528","0.006","87.128","0.006","1394.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","1","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0762","0.065","","","0.1823","0.1943","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507162","7.6851","0.0011","11.6395","0.0016","12.7044","0.0019","105.665","0.007","102.544","0.007","93.172","0.006","1060.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 La O15 P3 -","- C12 H27 La O15 P3 -","- C24 H54 La2 O30 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.031","0.0261","","","0.0657","0.0671","","","","","","1.204","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507163","5.7098","0.0009","9.6259","0.0014","11.822","0.002","104.874","0.011","96.054","0.011","105.347","0.01","595.02","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 La O7 P2 -","- C8 H11 La O7 P2 -","- C16 H22 La2 O14 P4 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1382","0.0654","","","0.1242","0.1451","","","","","","0.956","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507164","5.717","0.002","8.694","0.003","22.649","0.008","90","","94.384","0.016","90","","1122.4","0.7","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H23 La O13 P4 -","- C16 H16 La O13 P4 -","- C32 H32 La2 O26 P8 -","2","0.5","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1684","0.1443","","","0.3267","0.3368","","","","","","1.288","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507165","9.232","0.015","9.263","0.015","11.124","0.018","90.15","0.05","93.08","0.05","110.77","0.05","888","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 La O10 P3 -","- C12 H17 La O10 P3 -","- C24 H34 La2 O20 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.2594","0.0982","","","0.1943","0.2636","","","","","","0.938","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507166","21.9799","0.0007","5.45813","0.00017","10.8462","0.0003","90","","94.285","0.002","90","","1297.57","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 La O8 P2 -","- C8 H4 La O8 P2 -","- C32 H16 La4 O32 P8 -","4","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","powder diffraction","","1.54175","CuKα","","","","","","","","","11.395","","","","","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507167","17.6585","0.0015","10.7181","0.0009","17.9598","0.0015","90","","116.561","0.001","90","","3040.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Co3 N2 O24 -","- C48 H44 Co3 N2 O24 -","- C96 H88 Co6 N4 O48 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0551","0.0427","","","0.1217","0.1264","","","","","","1.022","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507168","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Co3 N4 O26 -","- C58 H66 Co3 N4 O26 -","- C116 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0699","0.0572","","","0.1578","0.172","","","","","","1.047","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507169","17.568","0.002","11.272","0.0013","17.955","0.002","90","","115.915","0.002","90","","3198","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 Co3 N4 O26 -","- C62 H66 Co3 N4 O26 -","- C124 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0879","0.0535","","","0.1338","0.1734","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507170","15.746","0.005","15.494","0.005","18.78","0.005","90","0.005","103.107","0.005","90","0.005","4462","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Co N6 O11 -","- C39 H27 Co N6 O11 -","- C156 H108 Co4 N24 O44 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0932","0.064","","","0.1711","0.1918","","","","","","1.012","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507171","11.1233","0.0004","13.8959","0.0006","13.9541","0.0005","86.47","0.003","66.757","0.003","80.763","0.003","1956.11","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H27 Cl2 Co N6 O11 -","- C40 H27 Cl2 Co N6 O11 -","- C80 H54 Cl4 Co2 N12 O22 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0614","0.0542","","","0.1333","0.1384","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507172","11.0105","0.0007","15.6825","0.0011","17.8843","0.0008","111.061","0.005","103.503","0.005","99.944","0.005","2687.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Co N7 O20 -","- C50 H46 Co N7 O20 -","- C100 H92 Co2 N14 O40 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0703","0.0587","","","0.1559","0.1653","","","","","","1.048","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507173","15.4107","0.0008","19.9408","0.0009","16.008","0.0007","90","","93.073","0.005","90","","4912.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Co N7 O12 -","- C50 H46 Co N7 O12 -","- C200 H184 Co4 N28 O48 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0717","0.0551","","","0.139","0.149","","","","","","1.033","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507174","11.661","0.005","14.927","0.005","16.137","0.005","109.277","0.005","108.348","0.005","98.36","0.005","2417.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Co N6 O25 -","- C42 H52.46 Co N6 O25 -","- C84 H104.92 Co2 N12 O50 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0845","0.0594","","","0.1399","0.1511","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507175","9.151","0.005","15.215","0.005","15.957","0.005","106.78","0.005","96.311","0.005","105.69","0.005","2004.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Co N6 O15 -","- C42 H28 Co N6 O15 -","- C84 H56 Co2 N12 O30 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.2172","0.1386","","","0.2565","0.2983","","","","","","1.115","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507176","13.786","0.005","13.876","0.005","15.715","0.005","101.88","0.005","92.772","0.005","118.48","0.005","2548","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 Co N7 O17 -","- C45 H33 Co N7 O17 -","- C90 H66 Co2 N14 O34 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0859","0.0769","","","0.2087","0.217","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507177","13.137","0.005","13.137","0.005","15.308","0.005","90","0.005","90","0.005","90","0.005","2641.9","1.7","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C13.5 H5 Co0.25 N2.5 O5 -","- C13.5 H5 Co0.25 N2.5 O5 -","- C108 H40 Co2 N20 O40 -","8","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0689","0.0652","","","0.1641","0.1671","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507178","7.7839","0.0003","8.7456","0.0003","11.0365","0.0004","90","","90","","90","","751.31","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium D-isoascorbate","","- C6 H9 Li O7 -","- C6 H9 Li O7 -","- C24 H36 Li4 O28 -","4","1","","Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.","Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material","Crystal Growth & Design","2013","13","1","97","","10.1021/cg301214n","","","0.71073","MoKα","","0.0297","0.0275","","","0.0661","0.0675","","","","","","1.04","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507179","14.052","0.002","29.581","0.005","13.319","0.002","90","","90","","90","","5536.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H38 N6 O12 Pb3 -","- C66 H38 N6 O12 Pb3 -","- C264 H152 N24 O48 Pb12 -","4","1","","Li, Lina; Zhang, Shuquan; Han, Liang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","A Non-Centrosymmetric Dual-Emissive Metal‒Organic Framework with Distinct Nonlinear Optical and Tunable Photoluminescence Properties","Crystal Growth & Design","2013","13","1","106","","10.1021/cg301243e","","","0.71073","MoKα","","0.065","0.054","","","0.1256","0.1433","","","","","","1.09","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507180","8.714","0.002","31.611","0.005","12.487","0.003","90","","92.04","0.03","90","","3437.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate methanol 3-solvate","","- C69 H82 N10 O25 -","- C69 H82 N10 O25 -","- C138 H164 N20 O50 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.071","0.0477","","","0.0975","0.108","","","","","","0.991","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507181","8.49","0.002","12.588","0.003","32.933","0.005","90","","94.56","0.03","90","","3508.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate 5.75-hydrate","","- C66 H81.5 N10 O27.75 -","- C65.994 H79.437 N9.999 O27.715 -","- C131.988 H158.874 N19.998 O55.43 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.1288","0.0674","","","0.1472","0.1682","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507182","8.713","0.002","12.556","0.003","32.959","0.006","90","","92.74","0.03","90","","3601.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(3,5-dinitrobenzoyl)-D-alaninate methanol 0.83-solvate 2.17-hydrate","","","- C33.84 H42.67 N5 O14 -","- C33.836 H42.672 N5 O14 -","- C135.344 H170.688 N20 O56 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.2364","0.0693","","","0.1295","0.1707","","","","","","0.855","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507183","12.14","0.003","14.708","0.003","38.52","0.004","90","","90","","90","","6878","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(3,5-dinitrobenzoyl)-L-alaninate 3.58-hydrate","","","- C33 H42.16 N5 O14.58 -","- C33 H42.186 N5 O14.593 -","- C264 H337.488 N40 O116.744 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0629","0.0372","","","0.0699","0.0752","","","","","","0.886","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507184","13.994","0.002","32.022","0.005","13.811","0.003","90","","90","","90","","6188.9","1.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-serinate 0.1-hydrate","","- C66 H70.2 N10 O24.1 -","- C66 H70 N10 O24.1 -","- C264 H280 N40 O96.4 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0729","0.0394","","","0.0781","0.0909","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507185","30.397","0.004","14.143","0.003","8.675","0.002","90","","105.45","0.03","90","","3594.7","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 2.5-solvate","","- C35.5 H45 N5 O14.5 -","- C35.5 H45 N5 O14.5 -","- C142 H180 N20 O58 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0767","","","","","","1.067","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507186","12.212","0.003","14.727","0.003","38.569","0.005","90","","90","","90","","6936","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate 3.88-hydrate","","- C33 H42.77 N5 O15.89 -","- C33 H42.7655 N5 O15.8825 -","- C264 H342.124 N40 O127.06 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","1.54175","CuKα","","0.1533","0.0724","","","0.1554","0.1938","","","","","","0.807","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507187","5.995","0.002","8.996","0.01","7.986","0.004","90","","98.63","0.04","90","","425.8","0.5","296","2","296","2","600000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0799","0.0725","","","0.1432","0.1458","","","","","","1.478","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507188","5.9685","0.0008","8.82","0.004","7.9218","0.0013","90","","98.93","0.013","90","","412","0.2","296","2","296","2","1200000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0667","0.0501","","","0.0957","0.0976","","","","","","1.21","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507189","8.02","0.002","8.649","0.006","16.645","0.011","90","","90.78","0.05","90","","1154.5","1.1","296","2","296","2","700000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.1864","0.1761","","","0.3419","0.3463","","","","","","2.116","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507190","7.968","0.002","8.5877","0.0013","16.554","0.009","90","","91.01","0.04","90","","1132.6","0.7","296","2","296","2","950000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0591","0.0551","","","0.1311","0.1359","","","","","","1.132","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507191","15.5683","0.0009","10.6851","0.0006","17.5607","0.0011","90","","108.342","0.007","90","","2772.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-Form-I","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0759","0.0498","","","0.1188","0.138","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507192","13.9797","0.0015","14.1323","0.0014","17.0214","0.0014","89.651","0.007","71.309","0.008","62.366","0.01","2781.1","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-Form-II","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2064","0.0675","","","0.121","0.1672","","","","","","0.9","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507193","18.468","0.002","9.124","0.01","20.1596","0.0018","90","","105.063","0.011","90","","3280","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-EAC","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , ethyl acetate solvate","","- C37 H44 O5 -","- C37 H44 O5 -","- C148 H176 O20 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1324","0.0643","","","0.1395","0.174","","","","","","1.039","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507194","13.5252","0.0006","9.1498","0.0004","27.7088","0.0014","90","","102.48","0.005","90","","3348","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1H-DXN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , dioxane","","- C39 H48 O6 -","- C39 H48 O6 -","- C156 H192 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1251","0.0551","","","0.0765","0.0991","","","","","","0.877","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507195","10.3727","0.0005","13.5083","0.0005","13.7846","0.0006","90.136","0.003","111.302","0.004","105.89","0.004","1719.53","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-PXL","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , p-xylene","","- C41 H46 O3 -","- C41 H46 O3 -","- C82 H92 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.078","0.0454","","","0.1011","0.1148","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507196","14.0157","0.0003","13.5113","0.0003","16.6427","0.0004","90","","93.771","0.002","90","","3144.81","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-PYD","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , pyridine","","- C38 H41 N O3 -","- C38 H41 N O3 -","- C152 H164 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0726","0.0439","","","0.0894","0.1028","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507197","12.8664","0.0014","13.2172","0.0016","13.723","0.002","118.504","0.013","95.59","0.01","96.917","0.009","2003.6","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-BEN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , benzene","","- C48 H51 O3 -","- C48 H51 O3 -","- C96 H102 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1689","0.0679","","","0.1136","0.154","","","","","","1.01","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507198","11.916","0.0006","13.9655","0.0008","20.9031","0.001","100.499","0.004","97.836","0.004","115.047","0.005","3008.4","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-THF(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran","","- C70 H80 O7 -","- C70 H80 O7 -","- C140 H160 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.71073","MoKα","","0.2335","0.0652","","","0.1278","0.1926","","","","","","0.919","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507199","13.5713","0.0012","10.3703","0.0009","22.865","0.002","90","","92.697","0.008","90","","3214.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-THF(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran(2)","","- C37 H44 O4 -","- C35 H40 O3.5 -","- C140 H160 O14 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1671","0.1165","","","0.3321","0.3827","","","","","","1.255","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507200","11.9291","0.0014","14.0095","0.0019","20.825","0.002","99.951","0.011","98.158","0.009","115.35","0.02","3005.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1H-CLF","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , chloroform","","- C67 H73 Cl3 O6 -","- C67 H73 Cl3 O6 -","- C134 H146 Cl6 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2861","0.0815","","","0.1918","0.2886","","","","","","0.937","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507201","9.7646","0.0003","12.9702","0.0004","14.745","0.0005","74.088","0.003","89.036","0.003","78.281","0.003","1756.95","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1H-TCM(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (1)","","- C34.5 H36 Cl6 O3 -","- C34.5 H36 Cl5.997 O3 -","- C69 H72 Cl11.994 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0937","0.071","","","0.1754","0.1934","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507202","13.59","0.0007","10.4856","0.0005","22.5449","0.0011","90","","92.837","0.005","90","","3208.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-TCM(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (2)","","- C34 H36 Cl4 O3 -","- C34 H36 Cl4 O3 -","- C136 H144 Cl16 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2236","0.0783","","","0.1559","0.2216","","","","","","0.937","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507203","9.7487","0.001","11.0061","0.0015","15.1631","0.0018","90","","94.36","0.011","90","","1622.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cu3 N6 O5 -","- C13 H14 Cu3 N6 O5 -","- C52 H56 Cu12 N24 O20 -","4","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0984","0.0448","","","0.0733","0.0874","","","","","","1.061","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507204","26.625","0.007","26.625","0.007","20.024","0.007","90","","90","","120","","12293","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H21 Cu3 N6 O8.5 -","- C13 H21 Cu3 N6 O8.5 -","- C234 H378 Cu54 N108 O153 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1307","0.066","","","0.1613","0.1725","","","","","","0.952","","","","has coordinates,has disorder","188994","2020-10-21","18:00:00",""
"4507205","4.863","0.0007","13.578","0.002","9.3241","0.0013","90","","95.563","0.002","90","","612.77","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N4 O4 -","- C10 H12 Cu N4 O4 -","- C20 H24 Cu2 N8 O8 -","2","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0249","0.0226","","","0.0709","0.0727","","","","","","1.059","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507206","22.429","0.0008","22.429","0.0008","10.2923","0.0007","90","","90","","90","","5177.6","0.4","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C160 H208 Cu8 N64 O64 -","8","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0554","0.0317","","","0.0421","0.044","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507207","26.795","0.005","26.795","0.005","19.751","0.004","90","","90","","120","","12281","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H18 Cu3 N6 O8 -","- C14 H17 Cu3 N6 O7.45 -","- C252 H306 Cu54 N108 O134.1 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1032","0.0778","","","0.2227","0.2617","","","","","","1.082","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507208","7.9085","0.0016","11.011","0.002","21.752","0.004","90","","90","","90","","1894.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium benzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0459","0.034","","","0.09","0.0958","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507209","9.795","0.002","26.905","0.005","7.989","0.0016","90","","90","","90","","2105.4","0.7","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2-hydroxyethylammonium 4-methylbenzoate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0499","0.0375","","","0.1027","0.1091","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507210","6.189","0.0012","14.891","0.003","23.594","0.005","90","","90","","90","","2174.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyethylammonium 4-metoxybenzoate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C80 H120 N8 O32 -","8","2","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0665","0.0474","","","0.1272","0.1355","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507211","21.318","0.004","4.499","0.0009","11.179","0.002","90","","116.69","0.03","90","","957.9","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-hydroxyethylammonium 4-hydroxybenzoate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.029","0.0286","","","0.0831","0.0836","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507212","6.0255","0.0012","7.3836","0.0015","23.049","0.005","90","","90","","90","","1025.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-chlorobenzoate","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0319","0.0258","","","0.0556","0.0572","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507213","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-bromobenzoate","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0185","0.0183","","","0.0543","0.0545","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507214","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-iodobenzoate","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0497","0.0494","","","0.1252","0.1255","","","","","","1.019","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507215","13.953","0.003","9.914","0.002","10.176","0.002","90","","104.151","0.004","90","","1364.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cobalt carboxylate","","","- C14 H12 Co O7 -","- C14 H12 Co O7 -","- C56 H48 Co4 O28 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.1008","0.0609","","","0.1217","0.147","","","","","","1.115","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507216","13.262","0.003","11.519","0.002","9.2992","0.0018","90","","90.913","0.004","90","","1420.4","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Cobalt Carboxylate","","","- C17 H12 Co0.5 N2 O2.5 -","- C17 H12 Co0.5 N2 O2.5 -","- C68 H48 Co2 N8 O10 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0615","0.0455","","","0.0984","0.1061","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507217","13.321","0.002","13.809","0.002","19.818","0.003","90","","101.154","0.003","90","","3576.7","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C38 H24 Mn2 N2 O10 -","- C38 H24 Mn2 N2 O10 -","- C152 H96 Mn8 N8 O40 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0784","0.0483","","","0.0971","0.1094","","","","","","1.047","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507218","11.4957","0.0008","11.4957","0.0008","37.257","0.004","90","","90","","90","","4923.6","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 Co N3 O5 -","- C27 H22 Co N3 O5 -","- C216 H176 Co8 N24 O40 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle; Öhrström Lars","Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems","Crystal Growth & Design","2013","13","2","633","","10.1021/cg301312v","","","0.71073","MoKα","","0.079","0.0658","","","0.1384","0.1432","","","","","","1.179","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507219","10.0496","0.0014","13.6781","0.0019","23.552","0.003","90","","94.541","0.003","90","","3227.3","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br Co N6 O4 -","- C32 H33 Br Co N6 O4 -","- C128 H132 Br4 Co4 N24 O16 -","4","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1286","0.0885","","","0.1462","0.1606","","","","","","1.168","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507220","10.172","0.006","14.001","0.008","17.235","0.01","100.546","0.011","94.864","0.011","105.435","0.011","2303","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Br3 N4 O14 Zn2 -","- C40 H31 Br3 N4 O14 Zn2 -","- C80 H62 Br6 N8 O28 Zn4 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1585","0.0874","","","0.1744","0.2016","","","","","","0.983","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507221","9.594","0.005","11.921","0.008","13.227","0.007","93.933","0.013","106.926","0.01","113.703","0.008","1295.1","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Co N2 O7 S -","- C26 H26 Co N2 O7 S -","- C52 H52 Co2 N4 O14 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0565","0.0532","","","0.1401","0.1429","","","","","","1.06","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507222","11.2894","0.0016","11.4307","0.0016","12.8725","0.0018","98.167","0.003","95.654","0.003","109.315","0.002","1532.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Co N2 O6 S -","- C22 H18 Co N2 O6 S -","- C44 H36 Co2 N4 O12 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0601","0.0558","","","0.1791","0.1881","","","","","","1.131","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507223","10.19979","0.00012","10.19979","","10.19979","","90","","90","","90","","1061.14","0.012","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.23702","","1.15","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507224","10.1961","0.0007","10.1961","0.0007","10.1961","0.0007","90","","90","","90","","1059.99","0.13","293","2","293","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na8 Si46 -","- Na8 Si46 -","- Na8 Si46 -","1","0.0208333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.052","0.0306","","","0.0333","0.0358","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507225","14.71667","0.00008","14.71667","","14.71667","","90","","90","","90","","3187.34","0.017","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507226","5.43","","5.43","","5.43","","90","","90","","90","","160.103","","","","","","","","","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Si -","- Si -","- Si16 -","16","0.0833333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507227","14.7156","0.0001","14.7156","0.0001","14.7156","0.0001","90","","90","","90","","3186.65","0.04","293","2","293","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na24 Si136 -","- Na24 Si136 -","- Na24 Si136 -","1","0.00520833","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.0662","0.063","","","0.0879","0.0885","","","","","","1.577","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507228","12.036","0.002","16.838","0.003","40.383","0.008","90","","90.46","0.03","90","","8184","3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C105 H95 N10 O20 Zn4 -","- C105 H95 N10 O20 Zn4 -","- C210 H190 N20 O40 Zn8 -","2","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","","0.71073","MoKα","","0.0744","0.0483","","","0.1097","0.1139","","","","","","0.991","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507229","27.597","0.004","27.597","0.004","21.871","0.004","90","","90","","120","","14425","4","293","2","293","2","","","100","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H34 Cu2 N4 O10 -","- C42 H34 Cu2 N4 O10 -","- C252 H204 Cu12 N24 O60 -","6","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","x-ray","0.88561","synchrotron","","0.0642","0.0594","","","0.1818","0.1882","","","","","","1.088","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507230","30.1777","0.0017","21.4903","0.0016","33.5299","0.0018","90","","90","","90","","21745","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C117 H72 N3 O18 Zn4 -","- C117 H72 N3 O18 Zn4 -","- C468 H288 N12 O72 Zn16 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.1213","0.0681","","","0.1583","0.1788","","","","","","0.91","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507231","8.4319","0.0009","12.8251","0.0013","20.924","0.005","73.462","0.016","84.692","0.013","78.307","0.009","2122.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.0994","0.0921","","","0.2274","0.2306","","","","","","1.105","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507232","13.402","0.002","6.798","0.003","6.9428","0.0007","90","","90","","90","","632.5","0.3","296","2","296","2","","","60000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0746","0.0649","","","0.1197","0.1234","","","","","","1.118","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507233","13.189","0.008","6.7596","0.0011","6.9528","0.0014","90","","90","","90","","619.9","0.4","296","2","296","2","","","160000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1134","0.0989","","","0.2548","0.2635","","","","","","1.237","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507234","13.098","0.015","6.765","0.008","6.963","0.009","90","","90","","90","","617","1.3","293","2","296","2","","","230000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1714","0.1108","","","0.2451","0.2758","","","","","","1.114","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507235","9.6053","0.0016","16.021","0.003","7.4386","0.0014","90","","90","","90","","1144.7","0.4","296","2","296","2","","","620000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0889","0.0739","","","0.1655","0.1747","","","","","","1.206","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507236","9.55","0.003","15.84","0.015","7.367","0.004","90","","90","","90","","1114.4","1.3","296","2","296","2","","","1050000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1618","0.1297","","","0.2116","0.223","","","","","","1.262","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507237","9.523","0.0017","15.651","0.003","7.3106","0.0015","90","","90","","90","","1089.6","0.4","296","2","296","2","","","1410000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0633","0.0519","","","0.109","0.115","","","","","","1.219","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507238","9.4896","0.0015","15.564","0.003","7.2671","0.0014","90","","90","","90","","1073.3","0.3","296","2","296","2","","","1720000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0584","0.0479","","","0.1118","0.1196","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507239","9.4697","0.0015","15.511","0.003","7.2413","0.0014","90","","90","","90","","1063.6","0.3","296","2","296","2","","","1920000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0564","0.0477","","","0.0959","0.0997","","","","","","1.274","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507240","9.4365","0.0016","15.444","0.003","7.2004","0.0015","90","","90","","90","","1049.4","0.3","296","2","296","2","","","2240000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0672","0.0561","","","0.1087","0.1136","","","","","","1.305","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507241","9.821","0.006","7.969","0.005","13.109","0.009","90","","90","","90","","1026","1.1","296","2","296","2","","","2230000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1525","0.1234","","","0.2058","0.2175","","","","","","1.22","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507242","9.81","0.007","7.966","0.005","13.074","0.009","90","","90","","90","","1021.7","1.2","296","2","296","2","","","2270000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1879","0.1407","","","0.1889","0.2033","","","","","","1.401","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507243","9.782","0.006","7.859","0.004","12.967","0.008","90","","90","","90","","996.9","1","296","2","296","2","","","2900000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1557","0.1222","","","0.1935","0.2064","","","","","","1.241","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507244","8.2688","0.0003","6.3458","0.0002","12.8427","0.0004","90","","106.785","0.0007","90","","645.17","0.04","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C24 H30 N14 O4 -","2","0.5","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen–Watson–Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","MoKα","","0.0151","0.0151","","","0.0207","0.0207","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507245","7.4877","0.0005","12.2678","0.0006","7.6797","0.0005","90","","112.11","0.007","90","","653.56","0.08","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C24 H28 N20 -","4","1","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen–Watson–Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","Mo-Kα","","0.0268","0.0268","","","0.0275","0.0275","","","","","","1.262","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507246","16.829","0.003","14.358","0.003","11.977","0.002","90","","118.15","0.03","90","","2551.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mg2 O14 -","- C17 H18 Mg2 O14 -","- C68 H72 Mg8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0751","0.0678","","","0.199","0.2069","","","","","","1.064","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507247","16.791","0.003","14.107","0.003","12.228","0.002","90","","119.02","0.03","90","","2532.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 N0 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0594","0.051","","","0.1639","0.173","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507248","9.942","0.011","10.426","0.011","12.77","0.014","109.996","0.011","107.303","0.01","92.141","0.009","1173","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","1","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0784","0.0776","","","0.2138","0.2146","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507249","14.271","0.003","14.432","0.003","22.549","0.005","90","","99.86","0.03","90","","4575.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0455","","","0.1359","0.1391","","","","","","1.092","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507250","9.953","0.004","24.553","0.009","17.799","0.006","90","","90","","90","","4350","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H8 In N0 O9 -","- C17 H8 In O9 -","- C68 H32 In4 O36 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0636","0.0606","","","0.1751","0.1785","","","","","","1.075","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507251","14.737","0.003","16.423","0.004","16.618","0.004","90","","90","","90","","4022","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 Eu N0 O9 -","- C17 H8 Eu O9 -","- C136 H64 Eu8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0471","0.0471","","","0.1199","0.1199","","","","","","1.132","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507252","14.6641","0.001","16.3979","0.0008","16.5888","0.0008","90","","90","","90","","3989","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Gd O9 -","- C17 H8 Gd O9 -","- C136 H64 Gd8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0455","0.0394","","","0.0933","0.0954","","","","","","1.11","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507253","14.748","0.003","16.301","0.004","16.572","0.004","90","","90","","90","","3984","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 N0 O9 Tb -","- C17 H8 O9 Tb -","- C136 H64 O72 Tb8 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0488","","","0.1222","0.1232","","","","","","1.081","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507254","14.7885","0.001","16.1587","0.0008","16.5084","0.0008","90","","90","","90","","3944.9","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Dy O9 -","- C17 H8 Dy O9 -","- C136 H64 Dy8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0408","0.0378","","","0.0853","0.0866","","","","","","1.151","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507255","14.8769","0.0015","16.0349","0.0013","16.5271","0.0013","90","","90","","90","","3942.5","0.6","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H0 Ho O9 -","- C17 H8 Ho O9 -","- C136 H64 Ho8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.1138","0.0981","","","0.2368","0.2447","","","","","","1.111","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507256","10.8786","0.0007","10.8786","0.0007","16.466","0.002","90","","90","","90","","1948.7","0.3","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.071","0.057","","","0.1286","0.1357","","","","","","1.087","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507257","10.8801","0.0003","10.8801","0.0003","16.4712","0.0006","90","","90","","90","","1949.8","0.1","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0467","0.042","","","0.1094","0.1118","","","","","","1.106","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507258","11.806","0.007","13.182","0.008","14.862","0.009","100.076","0.007","101.519","0.007","107.103","0.007","2098","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H36.5 Ag3 N6 -","- C46.5 H33 Ag3 N6 -","- C93 H66 Ag6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0441","0.0349","","","0.1093","0.1155","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507259","14.082","0.004","15.035","0.004","16.149","0.005","115.984","0.006","100.687","0.005","100.292","0.006","2886.5","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H54 Ag6 N12 -","- C60 H54 Ag6 N12 -","- C120 H108 Ag12 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.133","0.0529","","","0.1136","0.1529","","","","","","0.908","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507260","7.617","0.006","14.224","0.011","15.311","0.012","108.204","0.009","102.225","0.01","90.82","0.01","1534","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Ag3 N6 O -","- C31 H31 Ag3 N6 O -","- C62 H62 Ag6 N12 O2 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0663","0.044","","","0.1178","0.1337","","","","","","0.977","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507261","10.289","0.002","27.383","0.006","15.356","0.003","90","","91.952","0.004","90","","4323.9","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H62 Ag6 Br6 Cl2 N12 -","- C91 H62 Ag6 Br6 Cl2 N12 -","- C182 H124 Ag12 Br12 Cl4 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1432","0.0595","","","0.0991","0.1471","","","","","","0.874","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507262","30.132","0.004","17.197","0.002","17.427","0.002","90","","98.396","0.002","90","","8933.5","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Br3 Cl2 N6 -","- C46 H32 Au3 Br3 Cl2 N6 -","- C368 H256 Au24 Br24 Cl16 N48 -","8","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0377","0.0254","","","0.054","0.0672","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507263","11.144","0.018","11.983","0.009","13.076","0.01","113.598","0.01","100.645","0.013","101.305","0.013","1500","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Ag3 Br3 N6 -","- C21 H30 Ag3 Br3 N6 -","- C42 H60 Ag6 Br6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1003","0.0526","","","0.1324","0.1506","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507264","7.624","0.006","14.456","0.012","14.713","0.012","114.799","0.008","91.26","0.01","94.63","0.01","1464","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Ag3 Cl3 N6 -","- C27 H18 Ag3 Cl3 N6 -","- C54 H36 Ag6 Cl6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1013","0.0577","","","0.1628","0.2004","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507265","11.05","0.003","11.05","0.003","27.772","0.01","90","","90","","120","","2936.7","1.5","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H20 Co2 N2 O11 -","- C26 H20 Co2 N2 O11 -","- C78 H60 Co6 N6 O33 -","3","0.5","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.0502","0.0421","","","0.0994","0.1012","","","","","","0.941","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507266","6.404","0.003","16.046","0.007","25.698","0.011","106.593","0.006","96.038","0.006","92.975","0.006","2507.4","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Co4 N4 O24 -","- C52 H44 Co4 N4 O24 -","- C104 H88 Co8 N8 O48 -","2","1","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.1079","0.0707","","","0.1578","0.1939","","","","","","1.05","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507267","8.903","0.001","11.587","0.001","14.291","0.001","82.47","0.01","82.03","0.01","84.27","0.01","1442.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 Cu N8 O8 -","- C28 H20 Cl2 Cu N8 O8 -","- C56 H40 Cl4 Cu2 N16 O16 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0582","0.0429","","","0.0969","0.106","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507268","10.216","0.001","11.356","0.001","12.293","0.002","65.75","0.01","89.64","0.01","75.8","0.01","1253.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl3 Cu2 N4 O17 -","- C14 H17 Cl3 Cu2 N4 O17 -","- C28 H34 Cl6 Cu4 N8 O34 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0644","0.0365","","","0.0847","0.0897","","","","","","0.908","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507269","25.841","0.009","8.544","0.003","20.482","0.009","90","","123.6","0.03","90","","3767","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Cu N4 O9 -","- C14 H12 Cl2 Cu N4 O9 -","- C112 H96 Cl16 Cu8 N32 O72 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0754","0.0502","","","0.1365","0.1461","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507270","12.1811","0.0003","15.6873","0.0003","17.9688","0.0004","90","","91.584","0.001","90","","3432.32","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 Cu N4 O8 -","- C14 H10 Cl2 Cu N4 O8 -","- C112 H80 Cl16 Cu8 N32 O64 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0571","0.0446","","","0.1258","0.1362","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507271","8.1979","0.0008","10.6608","0.0009","11.2985","0.0011","90.149","0.007","96.531","0.008","100.772","0.007","963.46","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu2 N16 O -","- C14 H12 Cu2 N16 O -","- C28 H24 Cu4 N32 O2 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0785","0.0428","","","0.0839","0.0955","","","","","","1.024","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507272","9.9873","0.0004","20.0523","0.0008","11.4886","0.0004","90","","96.138","0.001","90","","2287.61","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cu2 N13 O2 -","- C20 H13 Cu2 N13 O2 -","- C80 H52 Cu8 N52 O8 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0536","0.0364","","","0.0938","0.1029","","","","","","1.047","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507273","20.3871","0.0013","7.7263","0.0002","14.6064","0.0009","90","","128.494","0.01","90","","1800.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,4 DAP phosphate","3,4 diaminopyridine dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Mahé Nathalie; Nicolaï Béatrice; Allouchi, Hassan; Barrio, Maria; Do, Bernard; Céolin, René; Tamarit, Josep-Lluis; Rietveld, Ivo B.","Crystal Structure and Solid-State Properties of 3,4-Diaminopyridine Dihydrogen Phosphate and Their Comparison with Other Diaminopyridine Salts","Crystal Growth & Design","2013","13","2","708","","10.1021/cg3014249","","","0.7107","MoKα","","0.0577","0.0367","","","0.0945","0.102","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507274","29.2","0.002","11.9144","0.0009","14.0146","0.001","90","","92.054","0.007","90","","4872.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N4 O7 -","- C18 H18 Cd N4 O7 -","- C144 H144 Cd8 N32 O56 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0842","0.0481","","","0.129","0.1523","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507275","24.709","0.003","11.5985","0.0012","14.2484","0.0015","90","","103.464","0.007","90","","3971.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd N4 O6 -","- C14 H16 Cd N4 O6 -","- C112 H128 Cd8 N32 O48 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0356","0.0319","","","0.1154","0.1184","","","","","","1.112","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507276","12.6099","0.0002","12.1229","0.0002","14.2819","0.0003","90","","98.41","0.001","90","","2159.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd N4 O8 -","- C18 H22 Cd N4 O8 -","- C72 H88 Cd4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0265","0.0243","","","0.0658","0.0671","","","","","","1.086","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507277","23.7901","0.0009","8.6694","0.0003","29.5375","0.0009","90","","113.205","0.003","90","","5599.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cd3 N8 O20 -","- C44 H48 Cd3 N8 O20 -","- C176 H192 Cd12 N32 O80 -","4","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0556","0.0531","","","0.1449","0.1462","","","","","","1.294","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507278","11.372","0.001","9.4405","0.0008","28.453","0.002","90","","90","","90","","3054.6","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C136 H120 N8 O24 S8 -","8","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.076","0.0671","","","0.1554","0.1606","","","","","","1.139","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507279","10.865","0.002","6.3351","0.0012","26.008","0.005","90","","100.004","0.003","90","","1762.9","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O3 S -","- C20 H18 N O3 S -","- C80 H72 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0822","0.0496","","","0.1196","0.132","","","","","","1.009","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507280","10.8561","0.001","6.3533","0.0006","26.403","0.003","90","","98.229","0.001","90","","1802.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H15 N O3 S -","- C20.5 H15 N O3 S -","- C82 H60 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0705","0.0506","","","0.1367","0.1513","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507281","12.744","0.005","6.242","0.002","22.864","0.009","90","","93.911","0.005","90","","1814.6","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0525","0.0395","","","0.1063","0.1133","","","","","","1.042","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507282","10.917","0.003","6.1745","0.0018","32.434","0.009","90","","96.594","0.004","90","","2171.8","1.1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.085","0.0508","","","0.1292","0.1523","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507283","11.1932","0.0013","6.0493","0.0007","32.694","0.004","90","","98.736","0.001","90","","2188.1","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0483","0.0362","","","0.0898","0.0962","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507284","12.076","0.003","6.3815","0.0016","32.01","0.008","90","","90","","90","","2466.8","1.1","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0372","0.0317","","","0.0726","0.076","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507285","6.2857","0.0019","12.624","0.004","32.881","0.01","90","","90","","90","","2609.1","1.4","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0468","0.0395","","","0.1023","0.1074","","","","","","1.041","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507286","9.893","0.012","7.77","0.009","35.39","0.04","90","","96.781","0.013","90","","2701","5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 N2 O2 -","- C32 H30 Cl2 N2 O2 -","- C128 H120 Cl8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.1028","0.0703","","","0.2301","0.2833","","","","","","1.128","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507287","7.7044","0.0015","11.564","0.002","32.152","0.007","90","","96.56","0.002","90","","2845.8","1","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N2 O2 -","- C34 H34 Cl2 N2 O2 -","- C136 H136 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0444","0.039","","","0.1005","0.1042","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507288","7.6272","0.0014","11.462","0.002","32.491","0.006","90","","96.602","0.002","90","","2821.6","0.9","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cl2 N2 O2 -","- C34 H32 Cl2 N2 O2 -","- C136 H128 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0413","0.0331","","","0.0843","0.0893","","","","","","1.048","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507289","19.233","0.002","7.286","0.001","21.471","0.002","90","","116.647","0.008","90","","2689.2","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 N2 O2 -","- C32 H30 Br2 N2 O2 -","- C128 H120 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0477","0.0309","","","0.0695","0.0758","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507290","9.6666","0.0014","10.5148","0.0015","16.003","0.002","79.171","0.002","82.682","0.002","73.44","0.002","1526.6","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C68 H68 Br4 N4 O6 -","2","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0368","0.0303","","","0.0784","0.082","","","","","","1.037","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507291","33.81","0.013","11.423","0.004","7.647","0.003","90","","101.221","0.004","90","","2896.9","1.9","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H32 Br2 N2 O2 -","- C34 H32 Br2 N2 O2 -","- C136 H128 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0383","0.0355","","","0.0882","0.0898","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507292","10.0704","0.0003","14.2521","0.0003","17.5644","0.0006","90","","94.281","0.002","90","","2513.89","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ca2 N2 O10 S2 -","- C18 H18 Ca2 N2 O10 S2 -","- C72 H72 Ca8 N8 O40 S8 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0569","0.0494","","","0.1441","0.1519","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507293","5.3331","0.0005","6.8981","0.0004","18.1411","0.0016","90","","90","","90","","667.38","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H2 Ca O4 S -","- C6 H2 Ca O4 S -","- C24 H8 Ca4 O16 S4 -","4","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0367","0.0289","","","0.0715","0.0768","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507294","5.9795","0.0003","17.0583","0.001","11.3592","0.0006","90","","91.257","0.001","90","","1158.36","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8.25 N O5 S Sr -","- C9 H8.182 N O5 S Sr -","- C36 H32.728 N4 O20 S4 Sr4 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.41328","synchrotron","","0.0228","0.0183","","","0.055","0.0715","","","","","","1.244","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507295","8.609","0.0001","10.7972","0.0002","12.1225","0.0002","109.5","0.001","109.517","0.001","94.035","0.001","979.96","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","1","0.5","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.0836","0.0481","","","0.103","0.1176","","","","","","1.031","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507296","8.1916","0.0001","23.5372","0.0005","12.5644","0.0003","90","","104.577","0.001","90","","2344.53","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br F4 N2 O2 -","- C28 H17 Br F4 N2 O2 -","- C112 H68 Br4 F16 N8 O8 -","4","1","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.068","0.0512","","","0.1049","0.1146","","","","","","1.022","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507297","11.1677","0.0005","9.9851","0.0005","6.3098","0.0003","90","","90","","90","","703.61","0.06","10","","10","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3–CCl3and ClF2C–CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507298","11.2854","0.0006","10.0394","0.0005","6.3627","0.0004","90","","90","","90","","720.89","0.07","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3–CCl3and ClF2C–CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507299","11.5494","0.0009","10.1825","0.0007","6.4002","0.0005","90","","90","","90","","752.67","0.1","296","","296","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3–CCl3and ClF2C–CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507300","17.9835","0.0021","10.3642","0.0011","6.3014","0.0008","90","","94.41","0.005","90","","1171","0.2","323","","323","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C2 Cl6 -","- C2 Cl6 -","- C12 Cl36 -","6","0.75","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507301","6.305","0.004","10.177","0.012","8.714","0.007","90","","90","","90","","559.1","0.9","120","","120","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C2 Cl2 F4 -","- C2.02 Cl2.08 F4.04 -","- C8.08 Cl8.32 F16.16 -","4","","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.398","Neutron","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507302","19.31","0.02","8.558","0.011","27.25","0.04","90","","108.28","0.03","90","","4276","9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Mn N5 O8 -","- C34 H21 Mn N5 O8 -","- C136 H84 Mn4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1086","0.0677","","","0.1289","0.1455","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507303","19.282","0.009","8.542","0.004","27.116","0.013","90","","108.45","0.01","90","","4237","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Fe N5 O8 -","- C34 H21 Fe N5 O8 -","- C136 H84 Fe4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.1198","","","","","","0.999","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507304","19.002","","8.39","","26.833","","90","","108.73","","90","","4051.35","","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Co N5 O8 -","- C34 H21 Co N5 O8 -","- C136 H84 Co4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1124","0.0673","","","0.094","0.1043","","","","","","0.895","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507305","19.392","0.009","8.516","0.004","27.144","0.012","90","","109.504","0.01","90","","4225","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 N5 O8 Zn -","- C34 H21 N5 O8 Zn -","- C136 H84 N20 O32 Zn4 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0887","0.0655","","","0.1872","0.2255","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507306","14.787","0.007","15.571","0.007","16.424","0.007","92.379","0.008","109.668","0.007","110.955","0.008","3269","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Mn2 N10 O8 -","- C52 H32 Mn2 N10 O8 -","- C104 H64 Mn4 N20 O16 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0931","0.0673","","","0.0747","0.0966","","","","","","1","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507307","11.36","0.003","11.799","0.004","16.35","0.005","74.017","0.006","82.914","0.006","63.634","0.006","1887.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N2 O19 Zn3 -","- C40 H29 N2 O19 Zn3 -","- C80 H58 N4 O38 Zn6 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1037","0.0673","","","0.1307","0.1523","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507308","9.354","0.004","14.614","0.007","19.726","0.009","90","","94.889","0.008","90","","2687","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cu N4 O5 -","- C28 H23 Cu N4 O5 -","- C112 H92 Cu4 N16 O20 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1001","0.0682","","","0.152","0.1635","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507309","37.92","0.03","7.642","0.005","23.501","0.015","90","","117.734","0.008","90","","6028","7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Co N4 O10 -","- C35 H22 Co N4 O10 -","- C280 H176 Co8 N32 O80 -","8","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0812","0.0649","","","0.1848","0.2055","","","","","","1.004","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507310","19.308","0.004","14.196","0.003","20.379","0.004","90","","103.15","0.004","90","","5439.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H49 N10 Ni2 O12 -","- C61 H49 N10 Ni2 O12 -","- C244 H196 N40 Ni8 O48 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0888","0.0553","","","0.1372","0.1574","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507311","7.31853","0.00019","8.2536","0.0002","11.7148","0.0003","100.472","0.0012","90.2335","0.0017","90.9844","0.0017","695.72","0.03","298","","298","","","","","","","","","3","P -1","-P 1","2","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","5.227","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507312","25.685","0.003","4.9273","0.0005","11.2508","0.0012","90","","106.234","0.002","90","","1367.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C56 H48 O40 -","8","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","","","0.71073","MoKα","","0.0471","0.0356","","","0.0923","0.0953","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507313","5.2303","0.0001","5.26495","0.00012","24.7927","0.0004","90","","102.112","0.0017","90","","667.53","0.02","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","2.065","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507314","7.60719","0.00009","3.64133","0.00004","26.7915","0.0004","90","","98.4212","0.0011","90","","734.131","0.016","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","4.298","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507315","13.057","0.004","14.628","0.004","8.306","0.002","90","","108.295","0.004","90","","1506.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O S -","- C16 H22 N2 O S -","- C64 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0461","0.0357","","","0.089","0.0938","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507316","9.6555","0.0006","13.1733","0.0009","12.7112","0.0008","90","","110.132","0.001","90","","1518.02","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C64 H80 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0434","0.0365","","","0.0976","0.1016","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507317","13","0.003","15.17","0.003","7.7773","0.0016","90","","104.832","0.003","90","","1482.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 S -","- C15 H19 Br N2 S -","- C60 H76 Br4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0398","0.028","","","0.0664","0.0692","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507318","12.855","0.006","14.961","0.007","7.931","0.004","90","","103.716","0.008","90","","1481.8","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 S -","- C16 H22 N2 S -","- C64 H88 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0717","0.0509","","","0.1397","0.1517","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507319","19.395","0.003","6.1309","0.001","27.533","0.004","90","","90","","90","","3273.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H24 N2 S -","- C17 H24 N2 S -","- C136 H192 N16 S8 -","8","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0464","","","0.1222","0.1357","","","","","","1.03","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507320","12.7995","0.0007","15.1263","0.0009","7.9069","0.0005","90","","104.423","0.001","90","","1482.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl N2 S -","- C15 H19 Cl N2 S -","- C60 H76 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.045","0.0365","","","0.0943","0.0988","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507321","13.064","0.003","9.3997","0.0019","13.724","0.003","90","","113.821","0.003","90","","1541.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl N2 S -","- C16 H21 Cl N2 S -","- C64 H84 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0483","0.0356","","","0.0846","0.0891","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507322","10.611","0.005","7.779","0.003","19.234","0.008","90","","101.253","0.006","90","","1557.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O S -","- C17 H22 N2 O S -","- C68 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0534","","","0.1366","0.1457","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507323","6.235","0.003","19.286","0.008","11.982","0.005","90","","96.517","0.007","90","","1431.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0919","0.0609","","","0.165","0.1813","","","","","","1.018","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507324","7.787","0.003","13.595","0.005","15.382","0.005","106.408","0.006","90.357","0.006","93.635","0.006","1558.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F3 N2 S -","- C16 H19 F3 N2 S -","- C64 H76 F12 N8 S4 -","4","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0901","0.0574","","","0.1369","0.1486","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507325","9.4109","0.0002","18.8592","0.0003","20.2575","0.0004","90","","90","","90","","3595.34","0.12","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 I4.14 N2 S9.72 -","- C28 H20 I4.1374 N2 S9.7168 -","- C112 H80 I16.5496 N8 S38.8672 -","4","0.5","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0504","0.0317","","","0.0589","0.0631","","","","","","1.032","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507326","9.58","0.0003","18.999","0.0006","19.0798","0.0006","90","","90","","90","","3472.72","0.19","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 I3 N S2 -","- C14 H10 I3 N S2 -","- C112 H80 I24 N8 S16 -","8","1","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0376","0.0305","","","0.0739","0.077","","","","","","1.084","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507327","8.5388","0.0005","20.0776","0.0014","20.86","0.0008","73.33","0.005","88.861","0.004","79.034","0.005","3361.1","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0877","0.0665","","","0.1722","0.1913","","","","","","1.021","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507328","8.6126","0.0005","20.1032","0.0013","21.1211","0.0015","73.297","0.006","89.003","0.005","79.571","0.005","3442.4","0.4","273","0.1","273","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.093","0.0648","","","0.1668","0.1896","","","","","","1.011","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507329","30.181","0.003","5.714","0.0006","21.6818","0.0018","90","","105.111","0.01","90","","3609.8","0.6","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0752","0.0612","","","0.1491","0.1611","","","","","","1.02","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507330","30.2048","0.001","5.7706","0.0002","21.9711","0.001","90","","104.37","0.004","90","","3709.7","0.3","273","1","273","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0964","0.0579","","","0.1445","0.1815","","","","","","1.017","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507331","5.418","0.003","8.764","0.005","23.315","0.013","90","","91.321","0.011","90","","1106.8","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1196","0.0967","","","0.1971","0.21","","","","","","1.248","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507332","8.191","0.003","10.755","0.003","11.897","0.004","74","0.006","84.991","0.006","76.519","0.006","979.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","1","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1262","0.1021","","","0.2043","0.2167","","","","","","1.232","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507333","13.3978","0.0019","12.5471","0.0017","13.8797","0.0019","90","","90","","90","","2333.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0714","0.0638","","","0.128","0.1315","","","","","","1.256","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507334","12.951","0.004","5.1138","0.0015","17.068","0.005","90","","90","","90","","1130.4","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0788","0.072","","","0.1507","0.1531","","","","","","1.291","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507335","7.949","0.003","11.747","0.004","12.875","0.005","90","","103.417","0.006","90","","1169.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C52 H52 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0869","0.0572","","","0.1567","0.1719","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507336","11.196","0.003","8.041","0.002","19.179","0.006","90","","96.644","0.006","90","","1715","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.131","0.0848","","","0.1865","0.2105","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507337","6.2977","0.001","9.1148","0.0015","15.243","0.003","72.801","0.003","84.1","0.003","77.889","0.003","816.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0416","0.0363","","","0.0976","0.1016","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507338","20.019","0.003","20.019","0.003","18.861","0.004","90","","90","","90","","7559","2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C48 H62 Cl0 Mn22 N60 Na0 O79 -","- C48 H54 Mn22 N60 O79 -","- C96 H108 Mn44 N120 O158 -","2","0.25","","Zhao, Jiong-Peng; Zhao, Ran; Song, Wei-Chao; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Azido-Directed Formation of An Unprecedented Mn(II)-Organic Framework with Nanoscale Cubic Cage Units","Crystal Growth & Design","2013","13","2","437","","10.1021/cg3015354","","","0.71073","MoKα","","0.0893","0.0759","","","0.1683","0.1748","","","","","","1.138","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507339","9.934","0.007","12.513","0.008","8.645","0.006","90","","90","","90","","1074.6","1.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 Co N O5 P -","- C9 H10 Co N O5 P -","- C36 H40 Co4 N4 O20 P4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0351","0.0334","","","0.0814","0.0828","","","","","","1.056","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507340","9.927","0.003","12.485","0.003","8.629","0.002","90","","90","","90","","1069.5","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0205","0.0196","","","0.0427","0.043","","","","","","0.955","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507341","13.1738","0.0008","24.5677","0.0011","13.2235","0.0007","90","","100.718","0.003","90","","4205.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0421","0.0379","","","0.102","0.107","","","","","","1.059","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507342","12.969","0.004","24.709","0.003","13.227","0.003","90","","101.432","0.01","90","","4154.5","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0751","0.0562","","","0.1514","0.1924","","","","","","1.072","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507343","24.8037","0.0006","24.8037","0.0006","42.7922","0.0019","90","","90","","120","","22799.7","1.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C123 H135 Cl0 Eu F36 N9 O33 Tb3 -","- C87 H45 Eu F36 N9 O30 Tb3 -","- C522 H270 Eu6 F216 N54 O180 Tb18 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.066","0.0598","","","0.1717","0.1815","","","","","","1.089","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507344","24.8541","0.0007","24.8541","0.0007","42.446","0.004","90","","90","","120","","22707","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C105 H87 Cl0 Eu3 F36 N9 O30 Tb -","- C87 H45 Eu3 F36 N9 O30 Tb -","- C522 H270 Eu18 F216 N54 O180 Tb6 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0607","0.0515","","","0.1382","0.1485","","","","","","1.061","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507345","9.5973","0.0006","11.94","0.0006","12.7279","0.0006","99.038","0.004","95.006","0.004","90.24","0.004","1434.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","LTG-AceticAcid","","","- C11 H11 Cl2 N5 O2 -","- C11 H11 Cl2 N5 O2 -","- C44 H44 Cl8 N20 O8 -","4","2","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1223","0.0555","","","0.1393","0.1774","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507346","18.6293","0.0004","18.6293","0.0004","17.6086","0.0005","90","","90","","90","","6111.1","0.3","120","2","120","2","","","","","","","see text","5","I 41/a :2","-I 4ad","88","","","","- C12 H13 Cl2 N5 O2 -","- C12 H13 Cl2 N5 O2 -","- C192 H208 Cl32 N80 O32 -","16","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","x-ray","0.71073","MoKα","","0.0786","0.0508","","","0.1374","0.1521","","","","","","1.173","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507347","9.308","0.002","11.356","0.003","32.107","0.008","90","","96.093","0.004","90","","3374.6","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-SorbicAcid","","","- C30 H30 Cl4 N10 O4 -","- C30 H30 Cl4 N10 O4 -","- C120 H120 Cl16 N40 O16 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1324","0.0683","","","0.1626","0.1987","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507348","8.862","0.0006","16.8932","0.0011","22.8226","0.0012","90","","90.17","0.011","90","","3416.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-GlutaricAcid","","","- C27 H34 Cl4 N10 O6 -","- C27 H32 Cl4 N10 O6 -","- C108 H128 Cl16 N40 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1213","0.0695","","","0.1844","0.2042","","","","","","0.918","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507349","15.4496","0.0009","6.9102","0.0004","12.9227","0.0007","90","","102.908","0.006","90","","1344.76","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Ca N2 O6 -","- C11 H9 Br Ca N2 O6 -","- C44 H36 Br4 Ca4 N8 O24 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.7107","MoKα","","0.0622","0.0431","","","0.0898","0.1008","","","","","","1.025","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507350","14.8833","0.0017","6.6486","0.0008","12.8054","0.0015","90","","103.052","0.001","90","","1234.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br N2 O5 Sr -","- C11 H7 Br N2 O5 Sr -","- C44 H28 Br4 N8 O20 Sr4 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0454","0.0319","","","0.08","0.0873","","","","","","0.876","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507351","12.8977","0.0007","8.1974","0.0003","11.2059","0.0004","90","","90","","90","","1184.77","0.09","291","2","291","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C11 H6 Br N2 O5 Zn -","- C11 H6 Br N2 O5 Zn -","- C44 H24 Br4 N8 O20 Zn4 -","4","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0328","0.0297","","","0.0787","0.084","","","","","","0.626","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507352","9.8824","0.0015","13.76","0.002","9.9776","0.0014","90","","113.223","0.002","90","","1246.8","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 Co N4 O10 S0 -","- C22 H16 Br2 Co N4 O10 -","- C44 H32 Br4 Co2 N8 O20 -","2","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.034","0.0285","","","0.0736","0.0759","","","","","","1.102","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507353","8.7083","0.0007","10.166","0.0007","14.8129","0.0011","74.995","0.001","89.915","0.001","72.97","0.001","1207.18","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br2 Cd1.5 N4 O9 -","- C22 H13 Br2 Cd1.5 N4 O9 -","- C44 H26 Br4 Cd3 N8 O18 -","2","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0343","0.0295","","","0.0729","0.0747","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507354","21.9976","0.0006","21.9976","0.0006","16.5598","0.0009","90","","90","","90","","8013.2","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H16 Br2 Cd2 N6 O12 -","- C32 H16 Br2 Cd2 N6 O12 -","- C256 H128 Br16 Cd16 N48 O96 -","8","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.047","0.0338","","","0.0911","0.094","","","","","","1.034","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507355","19.266","0.014","8.553","0.006","27.325","0.019","90","","108.189","0.016","90","","4278","5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Cd N5 O8 -","- C34 H21 Cd N5 O8 -","- C136 H84 Cd4 N20 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0688","0.0491","","","0.1103","0.1177","","","","","","0.97","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507356","9.814","0.003","10.86","0.003","12.606","0.004","105.473","0.003","102.426","0.003","91.537","0.003","1259.4","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N5 O6 -","- C26 H20 Cd N5 O6 -","- C52 H40 Cd2 N10 O12 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0364","0.0302","","","0.0628","0.0645","","","","","","1.018","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507357","16.328","0.004","6.9755","0.0017","27.246","0.006","90","","101.76","0.004","90","","3038.1","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd2 N6 O8 -","- C32 H22 Cd2 N6 O8 -","- C128 H88 Cd8 N24 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0591","0.0382","","","0.0732","0.0809","","","","","","1.02","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507358","10.4459","0.0008","12.1007","0.001","12.5575","0.001","111.294","0.001","112.198","0.001","99.455","0.001","1282.99","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cd N6 O4 -","- C31 H20 Cd N6 O4 -","- C62 H40 Cd2 N12 O8 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0618","0.0563","","","0.1751","0.1847","","","","","","1.144","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507359","22.683","0.0007","21.3607","0.0005","17.894","0.0008","90","","105.138","0.003","90","","8369.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H100 N22 O21 -","- C71 H100 N22 O21 -","- C284 H400 N88 O84 -","4","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1107","0.0624","","","0.1779","0.2082","","","","","","1.194","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507360","12.8426","0.0011","14.3533","0.0012","14.6146","0.0012","90.561","0.004","103.049","0.007","95.773","0.002","2609.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H68 N11 O11 -","- C47 H68 N11 O11 -","- C94 H136 N22 O22 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1177","0.0549","","","0.1367","0.1546","","","","","","0.99","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507361","17.0817","0.0009","17.6519","0.0009","19.7271","0.001","70.11","0.002","80.692","0.002","65.396","0.002","5084.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H132 N22 O22 P -","- C86 H132 N22 O22 P -","- C172 H264 N44 O44 P2 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.2423","0.0742","","","0.1678","0.2348","","","","","","0.953","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507362","10.9","0.0003","20.4538","0.0004","24.2322","0.0005","110.061","0.001","94.7009","0.0013","98.6721","0.0012","4964.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H144 N13 O19 -","- C87 H144 N13 O19 -","- C174 H288 N26 O38 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1079","0.084","","","0.1766","0.2143","","","","","","1.012","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507363","21.2737","0.0014","21.2737","0.0014","30.086","0.002","90","","90","","90","","13616","1.6","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H44 Cu3 N6 O16 -","- C56 H44 Cu3 N6 O16 -","- C224 H176 Cu12 N24 O64 -","4","0.5","","Yun, Ruirui; Duan, Jingui; Bai, Junfeng; Li, Yizhi","Fusing High Symmetric Coordination Polyhedrons of Cu6(PIP)4, Cu12(PIP)8, and Cu12(PIP)24into an Unprecedented Porous MOF: Synthesis, Structure, and Its Remarkable CO2Selectivity","Crystal Growth & Design","2013","13","1","24","","10.1021/cg301577a","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507364","15.8964","0.0006","15.8964","0.0006","17.0316","0.0012","90","","90","","90","","4303.8","0.4","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H15 Co N3 O6 -","- C26 H15 Co N3 O6 -","- C208 H120 Co8 N24 O48 -","8","1","","Yang, Qingxiang; Huang, Liangfang; Zhang, Mingdao; Li, Yizhi,; Zheng, Hegen; Lu, Qingyi","An Unprecedented Homochiral Metal‒Organic Framework Based on Achiral Nanosized Pyridine and V-Shaped Polycarboxylate Acid Ligand","Crystal Growth & Design","2013","13","2","440","","10.1021/cg301600x","","","0.71073","MoKα","","0.0496","0.0399","","","0.0807","0.0824","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507365","14.2986","0.0005","13.6054","0.0005","9.8965","0.0002","90","","123.152","0.0016","90","","1611.86","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","","Seber, Gonca; Freitas, Rafael S.; Oliveira, Nei Fernandes; Lahti, Paul M.","Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Crystal Growth & Design","2013","13","2","893","","10.1021/cg301601c","","","0.71073","MoKα","","0.0368","0.0347","","","0.0916","0.0937","","","","","","1.058","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507366","10.3251","0.0003","15.459","0.0004","17.7519","0.0005","69.964","0.002","86.592","0.002","78.556","0.002","2608.96","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.0639","0.0488","","","0.1144","0.1229","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507367","10.2893","0.0002","15.5312","0.0002","17.6113","0.0003","92.396","0.001","106.233","0.001","100.984","0.001","2639.14","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.074","0.0539","","","0.1293","0.1425","","","","","","1.016","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507368","9.6731","0.0008","5.3414","0.0005","15.4107","0.001","90","","121.766","0.004","90","","676.97","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N4 O6 V2 -","- C8 H12 Cu N4 O6 V2 -","- C16 H24 Cu2 N8 O12 V4 -","2","0.5","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.03","0.0263","","","0.0753","0.0769","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507369","11.4692","0.0002","11.9788","0.0002","18.2487","0.0003","90","","123.049","0.001","90","","2101.49","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F4 Mo N6 O2 Zn -","- C15 H18 F4 Mo N6 O2 Zn -","- C60 H72 F16 Mo4 N24 O8 Zn4 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0546","0.0317","","","0.066","0.0738","","","","","","1.023","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507370","12.3189","0.0001","12.3189","0.0001","8.2962","0.0001","90","","90","","90","","1258.99","0.02","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H24 Cu F6 N8 Ti -","- C20 H24 Cu F6 N8 Ti -","- C40 H48 Cu2 F12 N16 Ti2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0504","0.0353","","","0.1122","0.1235","","","","","","1.075","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507371","10.1096","0.0005","10.1096","0.0005","15.8515","0.0016","90","","90","","90","","1620.1","0.2","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C18 H26 Cu F12 N12 Ti2 -","- C18.24 H26.4 Cu F12 N12.16 Ti2 -","- C36.48 H52.8 Cu2 F24 N24.32 Ti4 -","2","0.0625","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0484","0.0434","","","0.1269","0.1334","","","","","","1.147","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507372","8.1754","0.0016","9.3313","0.0019","13.893","0.003","78.35","0.03","83.15","0.03","76.44","0.03","1006.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.0659","0.0468","","","0.0964","0.1022","","","","","","1.067","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507373","8.1234","0.0016","8.9511","0.0018","14.02","0.003","79.16","0.03","84.09","0.03","78.23","0.03","978","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.1596","0.1131","","","0.2664","0.2963","","","","","","1.07","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507374","18.172","0.005","52.375","0.01","5.698","0.005","90","","90","","90","","5423","5","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C240 H240 N16 O32 S16 -","16","1","","Mahieux, Julien; Sanselme, Morgane; Coquerel, Gerard","Access to Single Crystals of (±)-Form IV of Modafinil by Crystallization in Gels. Comparisons between (±)-Forms I, III, and IV and (−)-Form I","Crystal Growth & Design","2013","13","2","908","","10.1021/cg301630d","","x-ray","0.71073","MoKα","","0.0413","0.0388","","","0.0969","0.0988","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507375","24.3687","0.0014","24.3687","0.0014","47.322","0.006","90","","90","","90","","28101","4","293","2","293","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La N12 Ni6 O61 S12 -","- C62 H87 Ag8 Cl La N12 Ni6 O30 S12 -","- C496 H696 Ag64 Cl8 La8 N96 Ni48 O240 S96 -","8","1","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0631","0.0468","","","0.1024","0.1084","","","","","","0.981","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507376","10.1695","0.0009","10.1695","0.0009","41.686","0.007","90","","90","","120","","3733.5","0.8","293","2","293","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H64 Ag3 Co2 La N6 O17 S6 -","- C30 H54 Ag3 Co2 La N6 O17 S6 -","- C90 H162 Ag9 Co6 La3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0714","0.0477","","","0.101","0.1107","","","","","","1.039","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507377","10.1532","0.0008","10.1532","0.0008","41.538","0.006","90","","90","","120","","3708.4","0.7","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H66 Ag3 Co2 Eu N6 O16 S6 -","- C30 H54 Ag3 Co2 Eu N6 O17 S6 -","- C90 H162 Ag9 Co6 Eu3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0949","0.0588","","","0.139","0.1595","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507378","16.239","0.005","9.884","0.004","7.574","0.003","90","","100.516","0.005","90","","1195.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N7-(carboxymethylguanine)+K","","","- C7 H12 K N5 O6 -","- C7 H12 K N5 O6 -","- C28 H48 K4 N20 O24 -","4","1","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71069","MoKα","","0.0796","0.0539","","","0.1347","0.2098","","","","","","1.208","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507379","17.936","0.007","9.59","0.003","14.73","0.005","90","","104.7","0.011","90","","2450.7","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N9-(carboxymethylguanine)+K","","","- C14 H30 K N10 O15 -","- C14 H30 K N10 O15 -","- C56 H120 K4 N40 O60 -","4","0.5","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71073","MoKα","","0.0646","0.0476","","","0.1155","0.1306","","","","","","1.07","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507380","15.9397","0.0006","9.6503","0.0004","26.8957","0.0012","90","","90","","90","","4137.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N3 O3 -","- C25 H20 N3 O3 -","- C200 H160 N24 O24 -","8","1","","Fernández-Mato, Antonio; García, Marcos D.; Peinador, Carlos; Quintela, José M.; Sánchez-Andújar, Manuel; Pato-Doldán, Breogán; Señarís-Rodríguez, M. Antonia; Tordera, Daniel; Bolink, Henk J.","Polymorphism-Triggered Reversible Thermochromic Fluorescence of a Simple 1,8-Naphthyridine","Crystal Growth & Design","2013","13","2","460","","10.1021/cg301656x","","","0.71073","MoKα","","0.0922","0.0504","","","0.1261","0.1664","","","","","","1.089","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507381","10.362","0.0007","8.444","0.0003","22.277","0.0014","90","","117.355","0.002","90","","1731.2","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1008","0.0699","","","0.2034","0.2275","","","","","","1.114","","","","has coordinates","176663","2020-10-21","18:00:00",""
"4507382","10.357","0.002","8.934","0.002","20.857","0.004","90","","114.571","0.004","90","","1755.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.976 N2 O4 -","- C88 H79.952 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1259","0.076","","","0.2208","0.2506","","","","","","0.991","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507383","10.33","0.001","9.063","0.001","20.302","0.002","90","","113.699","0.003","90","","1740.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.94 N2 O4 -","- C88 H79.88 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0991","0.0637","","","0.1968","0.2157","","","","","","1.073","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507384","10.299","0.014","9.106","0.006","20.111","0.017","90","","113.26","0.04","90","","1733","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0661","0.0405","","","0.1127","0.1235","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507385","10.238","0.008","9.059","0.006","19.82","0.02","90","","112.86","0.04","90","","1694","2","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.08","0.0463","","","0.1212","0.1336","","","","","","0.944","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507386","8.454","0.01","10.833","0.012","11.37","0.02","63.86","0.04","79.73","0.05","68.44","0.03","869","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.988 N2 O4 -","- C42 H35.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0847","0.0455","","","0.1202","0.1388","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507387","8.46","0.02","10.84","0.03","11.35","0.03","64.31","0.11","80.49","0.08","68.68","0.06","874","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0943","0.0513","","","0.1643","0.1822","","","","","","0.814","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507388","8.465","0.02","10.85","0.03","11.36","0.02","64.56","0.1","80.82","0.07","68.92","0.06","879","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H36.012 N2 O4 -","- C42 H36.012 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1003","0.05","","","0.1478","0.1724","","","","","","0.886","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507389","8.475","0.0005","10.853","0.0006","11.36","0.001","64.798","0.003","81.182","0.002","69.185","0.007","883.72","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1374","0.0545","","","0.14","0.1825","","","","","","0.91","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507390","7.795","0.002","8.071","0.002","13.457","0.003","85.12","0.02","75.7","0.02","81.12","0.02","809.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0816","0.0458","","","0.1105","0.1225","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507391","7.8","0.001","8.081","0.001","13.476","0.002","85.03","0.02","75.62","0.02","81.09","0.02","811.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0885","0.0471","","","0.1107","0.1231","","","","","","0.966","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507392","7.787","0.001","8.065","0.001","13.452","0.002","85.02","0.02","75.61","0.02","81.18","0.02","807.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.016 N2 O4 -","- C40 H32.016 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0764","0.0466","","","0.1192","0.1324","","","","","","0.92","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507393","7.78","0.001","8.059","0.001","13.452","0.002","84.98","0.02","75.61","0.02","81.22","0.02","806.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0786","0.0459","","","0.1139","0.1265","","","","","","0.914","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507394","7.775","0.001","8.058","0.001","13.462","0.002","84.97","0.02","75.54","0.02","81.31","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0757","0.0461","","","0.1181","0.1311","","","","","","0.899","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507395","7.769","0.001","8.054","0.001","13.456","0.002","84.98","0.02","75.56","0.02","81.35","0.02","805","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0844","0.0482","","","0.1223","0.1387","","","","","","0.889","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507396","7.773","0.001","8.057","0.001","13.47","0.002","84.97","0.02","75.51","0.02","81.44","0.02","806.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0911","0.0493","","","0.1221","0.1379","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507397","7.77","0.001","8.055","0.001","13.474","0.002","84.99","0.02","75.45","0.02","81.5","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.083","0.0516","","","0.1331","0.1481","","","","","","0.847","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507398","7.744","0.001","7.992","0.002","13.534","0.003","85.4","0.02","75.41","0.02","82.78","0.02","803.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.008 N2 O4.112 -","- C40 H32.008 N2 O4.112 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1203","0.0635","","","0.1838","0.2161","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507399","7.809","0.001","7.861","0.002","13.539","0.003","87.33","0.02","75.75","0.02","84.88","0.02","802.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1302","0.0649","","","0.1669","0.1919","","","","","","1.005","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507400","7.743","0.001","7.751","0.002","13.459","0.003","87.69","0.02","76.13","0.02","85.27","0.02","781.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.109","0.0657","","","0.1826","0.2059","","","","","","0.971","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507401","7.74","0.001","7.78","0.002","13.527","0.003","87.86","0.02","76.29","0.02","85.79","0.02","789","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.984 N2 O4 -","- C40 H31.984 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1105","0.0542","","","0.1327","0.15","","","","","","0.764","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507402","7.781","0.001","7.803","0.002","13.491","0.003","87.76","0.02","76.74","0.02","86.24","0.02","795.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.004 N2 O4 -","- C40 H32.004 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1058","0.0556","","","0.1262","0.1383","","","","","","0.837","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507403","6.9563","0.0003","9.5096","0.0006","16.9966","0.0009","86.781","0.004","89.772","0.004","72.069","0.004","1067.95","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","1.54178","CuKα","","0.0618","0.0465","","","0.1189","0.1269","","","","","","1.049","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507404","7.1066","0.0007","13.1551","0.0012","29.311","0.003","90","","91.769","0.003","90","","2738.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 N8 O8 -","- C66 H62 N8 O8 -","- C132 H124 N16 O16 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0791","0.0552","","","0.1381","0.1545","","","","","","1.004","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507405","5.0617","0.0002","13.1465","0.0004","17.59","0.0007","81.733","0.002","81.83","0.002","83.744","0.003","1141.89","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0809","0.0548","","","0.1093","0.1191","","","","","","1.079","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507406","18.2876","0.0003","15.78","0.0003","29.0197","0.0005","90","","108.598","0.0012","90","","7937.1","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C178 H140 Cd6 N24 O20 -","- C178 H140 Cd6 N24 O20 -","- C356 H280 Cd12 N48 O40 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0792","0.061","","","0.1593","0.1706","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507407","42.5453","0.0005","15.8928","0.0003","30.3631","0.0005","90","","129.314","0.0009","90","","15884.1","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 N8 O8 Zn3 -","- C68 H44 N8 O8 Zn3 -","- C544 H352 N64 O64 Zn24 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.105","0.0743","","","0.1756","0.1872","","","","","","1.056","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507408","15.1307","0.0002","15.7557","0.0003","15.9818","0.0004","92.475","0.0008","117.495","0.0009","115.089","0.0011","2922.24","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C127.96 H99.24 Cd6 N15.32 O21.32 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0862","0.0579","","","0.1612","0.1767","","","","","","1.172","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507409","15.1052","0.0005","15.4394","0.0005","16.2932","0.0007","94.0207","0.001","117.553","0.0013","114.11","0.0019","2913.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H49 Cd3 N8 O12 -","- C57 H49 Cd3 N8 O12 -","- C114 H98 Cd6 N16 O24 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0767","0.0552","","","0.1148","0.1221","","","","","","1.061","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507410","12.4017","0.0006","15.577","0.0013","20.0534","0.0017","90","0.008","104.298","0.006","90","0.003","3753.9","0.5","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H24 Cd3 Cl2 N4 O9 -","- C48 H24 Cd3 Cl2 N4 O9 -","- C96 H48 Cd6 Cl4 N8 O18 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.196","0.1215","","","0.31","0.3419","","","","","","1.015","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507411","9.3362","0.0013","15.684","0.002","13.6864","0.0018","90","","105.497","0.004","90","","1931.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(pyridinium-4-yl)piperazine sulfadiazinide","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C76 H92 N28 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0421","0.0354","","","0.1088","0.1208","","","","","","0.867","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507412","10.7093","0.0013","14.1126","0.0017","15.9739","0.0019","90.196","0.001","105.504","0.001","91.472","0.001","2325.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4,4-bipyridine","","","- C50 H44 N14 O4 S2 -","- C50 H44 N14 O4 S2 -","- C100 H88 N28 O8 S4 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.041","0.0343","","","0.1098","0.1249","","","","","","0.93","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507413","5.734","0.003","8.057","0.004","18.163","0.01","78.438","0.007","81.646","0.008","77.011","0.007","796.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 1,2-bis(4-pyridyl)acetylene","","","- C16 H14 N5 O2 S -","- C16 H14 N5 O2 S -","- C32 H28 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0674","0.0495","","","0.1315","0.1545","","","","","","0.863","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507414","5.7617","0.0012","7.9548","0.0017","18.104","0.004","98.292","0.004","98.831","0.003","102.779","0.003","785.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine (E)-1,2-bis(4-pyridyl)ethylene","","","- C16 H15 N5 O2 S -","- C16 H15 N5 O2 S -","- C32 H30 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0587","0.0472","","","0.1258","0.141","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507415","7.834","0.005","9.005","0.005","12.31","0.007","79.922","0.007","83.513","0.006","70.167","0.006","802.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4-picoline cocrystal","","","- C16 H17 N5 O2 S -","- C16 H17 N5 O2 S -","- C32 H34 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0536","0.0436","","","0.1298","0.146","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507416","11.9647","0.0013","8.6341","0.001","15.8757","0.0017","90","","95.112","0.005","90","","1633.5","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0477","0.0374","","","0.1007","0.1069","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507417","9.1978","0.001","15.1948","0.0016","13.3595","0.0014","90","","109.537","0.005","90","","1759.6","0.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal–Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0426","0.0344","","","0.0965","0.1012","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507418","11.6891","0.0008","4.162","0.0004","8.3196","0.0007","90","","110.834","0.005","90","","378.28","0.06","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu Ga3 Yb -","- Cu Ga3 Yb -","- Cu4 Ga12 Yb4 -","4","0.5","","Subbarao, Udumula; Peter, Sebastian C.","Crystal Growth and Properties of YbCuGa3: First Monoclinic System in the RETX3Family","Crystal Growth & Design","2013","13","2","953","","10.1021/cg301765f","","","0.71073","MoKα","","0.0749","0.0689","","","0.2345","0.2377","","","","","","1.237","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507443","10.4014","0.0002","16.5049","0.0003","12.6499","0.0002","90","","92.9894","0.0017","90","","2168.7","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H44 Cu5 I3 N8 S4 W -","- C28 H44 Cu5 I3 N8 S4 W -","- C56 H88 Cu10 I6 N16 S8 W2 -","2","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","1.54178","CuKα","","0.0398","0.0351","","","0.0942","0.0978","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507444","20.117","0.0011","18.9892","0.0014","16.9251","0.001","90","","94.561","0.005","90","","6445","0.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C180 H292 Cu24 I8 N52 O4 S32 W8 -","4","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.71073","MoKα","","0.1162","0.0591","","","0.0834","0.1033","","","","","","1.008","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507445","19.937","0.006","10.001","0.003","35.707","0.014","90","","97.164","0.004","90","","7064","4","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45 H73 Cu6 I2 Mo2 N13 O S8 -","- C42 H66 Cu6 I2 Mo2 N12 S8 -","- C168 H264 Cu24 I8 Mo8 N48 S32 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.6889","synchrotron","","0.0516","0.0397","","","0.1029","0.1077","","","","","","1.041","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507446","8.753","0.0006","35.44","0.003","17.9595","0.001","90","","91.812","0.007","90","","5568.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl Mn2 O12 -","- C33 H27 Cl Mn2 O12 -","- C132 H108 Cl4 Mn8 O48 -","4","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.1242","0.0933","","","0.2033","0.2214","","","","","","1.055","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507447","16.4674","0.0011","18.1705","0.0018","20.4456","0.0014","64.167","0.008","70.668","0.006","70.119","0.008","5055.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H95 Mn4 N5 O27 -","- C85 H95 Mn4 N5 O27 -","- C170 H190 Mn8 N10 O54 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54184","CuKα","","0.1113","0.0807","","","0.1895","0.2085","","","","","","1.09","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507448","10.635","0.005","16.717","0.007","18.705","0.007","83.78","0.03","84.43","0.04","79.59","0.04","3241","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cu2 N O13 -","- C38 H37 Cu2 N O13 -","- C76 H74 Cu4 N2 O26 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.202","0.0819","","","0.1518","0.1933","","","","","","0.628","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507449","14.056","0.002","18.053","0.002","19.335","0.002","111.129","0.012","93.381","0.011","109.639","0.013","4218.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 Co3 O23 -","- C66 H54 Co3 O23 -","- C132 H108 Co6 O46 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.2178","0.0936","","","0.1825","0.2428","","","","","","0.684","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507450","4.9358","0.0003","9.9438","0.0005","16.7977","0.0008","90","","90.352","0.005","90","","824.43","0.08","120","1","120","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H2 F10 N2 S2 -","- C18 H2 F10 N2 S2 -","- C36 H4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.039","0.0314","","","0.0797","0.0848","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507451","9.943","0.0005","15.7223","0.0007","6.2495","0.0003","90","","101.142","0.002","90","","958.55","0.08","110","1","110","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 Br2 F10 N2 S2 -","- C18 Br2 F10 N2 S2 -","- C36 Br4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.0217","0.0196","","","0.0538","0.0543","","","","","","1.475","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507452","12.1559","0.0009","11.6994","0.0008","22.3367","0.0017","90","","101.651","0.001","90","","3111.2","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0311","0.0287","","","0.07","0.0801","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507453","12.1528","0.0008","11.6995","0.0008","22.334","0.0014","90","","101.584","0.001","90","","3110.8","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0335","0.0313","","","0.0799","0.087","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507454","24.2101","0.0006","10.2706","0.0002","12.768","0.0003","90","","109.47","0.002","90","","2993.25","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cd3 O22 -","- C24 H26 Cd3 O22 -","- C96 H104 Cd12 O88 -","4","0.5","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0307","0.0247","","","0.0634","0.065","","","","","","1.035","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507455","13.5193","0.0004","18.2105","0.0004","14.6349","0.0004","90","","97.039","0.003","90","","3575.86","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N6 O12 Zn -","- C39 H31 N6 O12 Zn -","- C156 H124 N24 O48 Zn4 -","4","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0601","0.0351","","","0.0761","0.0817","","","","","","0.954","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507456","10.0028","0.0004","11.6509","0.0004","11.6923","0.0004","82.744","0.003","71.295","0.003","79.519","0.003","1265.75","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O12 Zn -","- C24 H18 N2 O12 Zn -","- C48 H36 N4 O24 Zn2 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0496","0.0381","","","0.1137","0.1172","","","","","","1.047","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507457","10.0678","0.0006","11.5713","0.0005","11.7061","0.0008","82.629","0.004","70.752","0.006","80.001","0.004","1264.24","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N2 O12 -","- C24 H18 Co N2 O12 -","- C48 H36 Co2 N4 O24 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0701","0.0449","","","0.1173","0.1243","","","","","","0.989","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507458","8.1","0.0007","11.11","0.0009","15.9077","0.001","106.128","0.006","96.718","0.006","96.03","0.007","1351.5","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N2 O15 -","- C22 H18 Cd N2 O15 -","- C44 H36 Cd2 N4 O30 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.032","0.0261","","","0.0737","0.0747","","","","","","1.059","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507459","12.0239","0.0015","13.482","0.0017","14.0414","0.0018","70.491","0.002","77.141","0.002","89.312","0.002","2086.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O8 Zn -","- C34 H18 O8 Zn -","- C68 H36 O16 Zn2 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1239","0.0826","","","0.2258","0.2444","","","","","","1.036","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507460","17.823","0.003","30.112","0.004","10.7574","0.0012","90","","118.559","0.011","90","","5070.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Mg0.5 O5 -","- C18 H12 Mg0.5 O5 -","- C144 H96 Mg4 O40 -","8","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","1.54178","CuKα","","0.1274","0.0885","","","0.2417","0.2709","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507461","6.2836","0.0016","10.732","0.003","14.356","0.004","95.441","0.004","98.941","0.004","103.448","0.004","921.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Ni0.5 O7 -","- C21 H16 Ni0.5 O7 -","- C42 H32 Ni O14 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1307","0.0767","","","0.2188","0.2553","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507462","25.8154","0.0012","3.888","0.0006","6.1323","0.0006","90","","88.416","0.004","90","","615.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","isoniazid - benzoic acid cocrystal","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1125","0.0623","","","0.1133","0.1329","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507463","6.8942","0.0006","7.1004","0.0006","12.4475","0.0012","104.455","0.004","92.4","0.003","95.106","0.004","586.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - sebacic acid cocrystal","","","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","1","0.5","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1163","0.0617","","","0.1347","0.16","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507464","6.8989","0.0002","7.4686","0.0003","21.375","0.0009","84.096","0.001","82.381","0.001","89.843","0.002","1085.77","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","izoniazid - suberic acid cocrystal","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C40 H56 N12 O12 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0666","0.0453","","","0.1145","0.1296","","","","","","0.957","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507465","7.4573","0.0003","9.5154","0.0004","10.1737","0.0003","96.904","0.003","103.264","0.002","101.946","0.0018","676.7","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - cinnamic acid cocrystal","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0742","0.0504","","","0.1277","0.1436","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507466","14.9124","0.0008","3.7468","0.0002","24.3089","0.0016","90","","96.975","0.002","90","","1348.18","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoniazid - cinnamic cocrystal II","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1392","0.0675","","","0.1555","0.2012","","","","","","0.999","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507467","12.449","0.003","17.904","0.004","27.691","0.006","90","","90","","90","","6172","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 1","Iridium (4-trifluoromethylphenylbenzothiazole)2 (acac)","","- C33 H21 F6 Ir N2 O2 S2 -","- C33 H21 F6 Ir N2 O2 S2 -","- C264 H168 F48 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0571","0.0356","","","0.0776","0.0879","","","","","","0.97","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507468","10.0877","0.0001","18.273","0.0002","30.8642","0.0003","90","","90","","90","","5689.28","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Iridium 2","Iridium (4-methylphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O2 S2 -","- C33 H27 Ir N2 O2 S2 -","- C264 H216 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.058","0.0347","","","0.0782","0.0884","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507469","17.1215","0.0002","17.2024","0.0002","18.135","0.0003","90","","90","","90","","5341.32","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 3","Iridium (4-fluorophenylbenzothiazole)2 (acac)","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0513","0.0313","","","0.0688","0.0782","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507470","11.7852","0.0001","21.8859","0.0002","21.4317","0.0002","90","","97.2931","0.0005","90","","5483.15","0.09","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Iridium 4","Iridium (3-fluoromethylphenylbenzothiazole)2 (acac)?","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0805","0.047","","","0.0911","0.1036","","","","","","1.016","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507471","20.0107","0.0001","63.6177","0.0006","17.7788","0.0002","90","","106.194","0.0004","90","","21735","0.3","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","Iridium 5","Iridium (phenylbenzothiazole)2 (acac)","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C992 H736 Ir32 N64 O64 S64 -","32","8","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0629","0.0473","","","0.0903","0.0981","","","","","","1.053","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507472","10.857","0.0002","16.1514","0.0004","17.1152","0.0004","90","","106.982","0.0014","90","","2870.38","0.11","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Iridium 6","Iridium (4-methoxyphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O4 S2 -","- C33 H27 Ir N2 O4 S2 -","- C132 H108 Ir4 N8 O16 S8 -","4","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0717","0.0417","","","0.0769","0.0884","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507473","16.951","0.003","17.985","0.004","21.263","0.004","90","","90","","90","","6482","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Iridium 7","Iridium (4-trifluoromethylphenylbenzothiazole)2 (pyridine carboxylic acid)","","- C34 H18 F6 Ir N3 O2.88 S2 -","- C34 H18 F6 Ir N3 O2.875 S2 -","- C272 H144 F48 Ir8 N24 O23 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0329","0.0273","","","0.0555","0.0583","","","","","","1.048","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507474","13.5616","0.00023","6.24896","0.0001","9.80579","0.00018","90","","112.2","0.0011","90","","769.4","0.02","373","","373","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-aminocyclohexanecarboxylic acid","cis-4-ammoniocyclohexanecarboxylate","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","powder diffraction","x-ray","0.334971","","","","","","","","","0.11244","","2.71","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507475","6.286","0.003","8.879","0.004","9.839","0.004","93.625","0.004","98.813","0.004","95.604","0.004","538.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","","","0.71073","MoKα","","0.076","0.0584","","","0.1592","0.1854","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507476","14.7306","0.0004","19.4915","0.0005","8.2614","0.0002","90","","123.237","0.001","90","","1983.99","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N8 O4 -","- C20 H26 N8 O4 -","- C80 H104 N32 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0419","0.0388","","","0.1103","0.1139","","","","","","1.077","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507477","18.2469","0.0006","13.187","0.0005","18.6203","0.0006","90","","90","","90","","4480.5","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C21 H28 N8 O7 -","- C21 H28 N8 O7 -","- C168 H224 N64 O56 -","8","1","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.048","0.0453","","","0.1164","0.1184","","","","","","1.103","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507478","13.8325","0.0006","10.0215","0.0005","7.2137","0.0003","90","","112.385","0.002","90","","924.63","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0358","0.0355","","","0.1059","0.1064","","","","","","1.037","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507479","6.9051","0.0003","17.6822","0.0008","9.3199","0.0004","90","","109.521","0.002","90","","1072.53","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N8 O8 -","- C16 H32 N8 O8 -","- C32 H64 N16 O16 -","2","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0376","0.0373","","","0.1064","0.1068","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507480","8.1933","0.0003","7.7393","0.0003","11.4405","0.0004","90","","94.486","0.003","90","","723.22","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O2 -","- C10 H6 O2 -","- C40 H24 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0347","0.0306","","","0.0834","0.0859","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507481","6.8664","0.0003","20.9003","0.0011","22.0448","0.0008","90","","90","","90","","3163.6","0.2","150.1","","150.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0991","0.0626","","","0.1001","0.1145","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507482","6.8006","0.0004","22.1731","0.0009","7.3916","0.0005","90","","117.031","0.007","90","","992.83","0.12","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0348","0.0315","","","0.0735","0.0756","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507483","6.9652","0.0003","10.9689","0.0003","31.2143","0.0011","90","","90","","90","","2384.79","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O4 S2 -","- C24 H36 O4 S2 -","- C96 H144 O16 S8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0476","0.0432","","","0.0924","0.0981","","","","","","1.119","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507484","12.3596","0.0006","6.9442","0.0003","13.9837","0.0008","90","","111","0.006","90","","1120.47","0.11","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O3 -","- C25 H36 O3 -","- C50 H72 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0729","0.0578","","","0.14","0.1516","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507485","16.4467","0.0003","8.3661","0.0002","9.1549","0.0002","90","","107.642","0.001","90","","1200.42","0.05","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H34 Co N2 O9 -","- C24 H30 Co N2 O9 -","- C48 H60 Co2 N4 O18 -","2","0.5","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.0346","0.0342","","","0.0857","0.086","","","","","","1.046","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507486","14.8991","0.0015","11.3688","0.0012","17.9705","0.0018","90","","90.782","0.002","90","","3043.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","73.11Co","","","- C26 H38 Co2 N2 O16 -","- C26 H30 Co2 N2 O16 -","- C104 H120 Co8 N8 O64 -","4","1","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.1009","0.0795","","","0.2116","0.2257","","","","","","1.064","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507487","17.0971","0.0003","17.0971","0.0003","13.6304","0.0005","90","","90","","120","","3450.52","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C48 H24 Cd3 N6 O25 -","- C48 H24 Cd3 N6 O24.99 -","- C96 H48 Cd6 N12 O49.98 -","2","0.333333","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0931","0.0886","","","0.2507","0.2591","","","","","","1.038","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507488","16.5254","0.0003","16.5254","0.0003","14.0982","0.0006","90","","90","","120","","3334.25","0.17","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H24 N6 O23 Zn3 -","- C48 H24 N6 O20 Zn3 -","- C96 H48 N12 O40 Zn6 -","2","0.166667","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0352","0.0287","","","0.0764","0.08","","","","","","0.779","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507489","9.4902","0.0004","5.3041","0.0003","21.2846","0.0008","90","","92.398","0.003","90","","1070.46","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Adenine:succinic acid","","- C9 H11 N5 O4 -","- C9 H11 N5 O4 -","- C36 H44 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0817","0.0586","","","0.1123","0.1257","","","","","","1.114","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507490","3.616","0.0001","13.073","0.0006","22.0296","0.0009","90","","94.633","0.003","90","","1037.98","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:fumaric acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0792","0.0552","","","0.1045","0.1183","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507491","3.61","0.003","13.323","0.011","22.187","0.019","90","","92.258","0.007","90","","1066.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:maleic acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.6889","","","0.0582","0.0416","","","0.102","0.1108","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507492","5.2815","0.0001","10.0506","0.0002","22.0125","0.0004","78.191","0.001","85.16","0.001","80.017","0.001","1124.98","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adenine:maleic acid:methanol","","- C9.5 H11 N5 O4.5 -","- C9.5 H11 N5 O4.5 -","- C38 H44 N20 O18 -","4","2","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","1.54184","CuKα","","0.0404","0.0345","","","0.0901","0.0938","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507493","5.9245","0.0004","45.446","0.003","7.7993","0.0006","90","","94.178","0.002","90","","2094.3","0.3","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 S -","- C25 H22 N2 S -","- C100 H88 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0878","0.0552","","","0.1334","0.154","","","","","","1.174","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507494","5.7277","0.0003","43.616","0.002","8.0965","0.0005","90","","91.1839","0.0017","90","","2022.23","0.19","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 S -","- C24 H20 N2 S -","- C96 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.1204","0.0556","","","0.1426","0.1814","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507495","5.6649","0.0002","44.2183","0.0015","9.2378","0.0004","90","","97.1237","0.0012","90","","2296.13","0.15","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0781","0.0434","","","0.1209","0.146","","","","","","1.128","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507496","6.2408","0.0005","17.238","0.0014","16.7115","0.0016","90","","91.427","0.003","90","","1797.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 S -","- C20 H20 N2 S -","- C80 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0721","0.0428","","","0.1001","0.1115","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507497","19.514","0.004","17.533","0.004","11.637","0.002","90","","109.2","0.03","90","","3760","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N4 O3 -","- C22 H17 N4 O3 -","- C176 H136 N32 O24 -","8","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0603","0.0587","","","0.1599","0.1614","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507498","16.211","0.003","21.047","0.004","16.576","0.004","90","","107.906","0.005","90","","5381.7","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co N8 O14 -","- C44 H34 Co N8 O14 -","- C176 H136 Co4 N32 O56 -","4","0.5","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1662","0.0732","","","0.1713","0.2037","","","","","","0.804","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507499","12.84","0.003","13.386","0.003","18.77","0.004","71.71","0.03","84.54","0.03","62.64","0.03","2715.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H55 N11 Ni O10 -","- C53 H55 N11 Ni O10 -","- C106 H110 N22 Ni2 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.738","synchrotron","","0.1604","0.0846","","","0.2097","0.2496","","","","","","0.936","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507500","9.233","0.0018","12.419","0.003","18.88","0.004","105.73","0.03","95.45","0.03","94.09","0.03","2063.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O10 -","- C44 H40 Cu2 N8 O10 -","- C88 H80 Cu4 N16 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0668","0.057","","","0.1573","0.168","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507501","10.808","0.002","14.539","0.003","16.626","0.003","111.03","0.03","96.96","0.03","93.92","0.03","2402.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cu2 N10 O10 -","- C50 H46 Cu2 N10 O10 -","- C100 H92 Cu4 N20 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.0519","0.0507","","","0.145","0.1467","","","","","","1.078","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507502","12.2619","0.0016","13.8402","0.0018","15.549","0.002","68.296","0.002","79.036","0.002","89.716","0.002","2400.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cu2 N8 O8 S2 -","- C48 H44 Cu2 N8 O8 S2 -","- C96 H88 Cu4 N16 O16 S4 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1787","0.0648","","","0.16","0.2257","","","","","","0.956","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507503","12.818","0.003","10.705","0.002","20.701","0.004","90","","95.86","0.03","90","","2825.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O6 S2 -","- C26 H30 Cu N4 O6 S2 -","- C104 H120 Cu4 N16 O24 S8 -","4","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.066","0.0637","","","0.1825","0.1854","","","","","","1.043","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507504","4.898","0.0008","14.698","0.002","10.3341","0.0016","90","","98.774","0.004","90","","735.25","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0977","0.0354","","","0.0577","0.0637","","","","","","0.942","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507505","17.517","0.005","7.2602","0.0018","6.224","0.002","90","","107.61","0.03","90","","754.5","0.4","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","1.5418","CuKα","","0.094","0.053","","","0.1017","0.134","","","","","","0.854","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507506","5.9845","0.0006","8.3384","0.0006","14.4209","0.0012","90","","96.526","0.009","90","","714.96","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0786","0.0489","","","0.1052","0.1187","","","","","","0.982","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507507","46.038","0.003","46.038","0.003","11.3254","0.0003","90","","90","","90","","24004","2","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co La2 N8 O29 -","- C48 H36 Co La2 N8 O29 -","- C768 H576 Co16 La32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0806","0.0593","","","0.1654","0.1829","","","","","","1.089","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507508","45.942","0.0013","45.942","0.0013","11.2367","0.0004","90","","90","","90","","23716.9","1.3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H52 Co N8 O30 Pr2 -","- C48 H36 Co N8 O30 Pr2 -","- C768 H576 Co16 N128 O480 Pr32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1511","0.0778","","","0.1805","0.2281","","","","","","1.029","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507509","45.7979","0.0007","45.7979","0.0007","11.2276","0.0002","90","","90","","90","","23549.3","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 Nd2 O29 -","- C48 H34 Co N8 Nd2 O29 -","- C768 H544 Co16 N128 Nd32 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0879","0.0564","","","0.1379","0.1572","","","","","","1.03","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507510","45.9697","0.001","45.9697","0.001","11.1834","0.0003","90","","90","","90","","23632.9","1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 O29 Sm2 -","- C48 H36 Co N8 O29 Sm2 -","- C768 H576 Co16 N128 O464 Sm32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0652","0.0442","","","0.1144","0.129","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507511","45.8777","0.0007","45.8777","0.0007","11.10616","0.0002","90","","90","","90","","23375.8","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co Eu2 N8 O29 -","- C48 H36 Co Eu2 N8 O29 -","- C768 H576 Co16 Eu32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0818","0.0574","","","0.1408","0.1595","","","","","","1.022","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507512","45.204","0.002","45.204","0.002","10.7836","0.0005","90","","90","","90","","22035.2","1.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H46 Co Gd2 N8 O27 -","- C48 H36 Co Gd2 N8 O27 -","- C768 H576 Co16 Gd32 N128 O432 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.093","0.0689","","","0.1911","0.2102","","","","","","1.091","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507513","45.822","0.0007","45.822","0.0007","11.0046","0.0003","90","","90","","90","","23105.9","0.8","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co N8 O28 Tb2 -","- C48 H36 Co N8 O28 Tb2 -","- C768 H576 Co16 N128 O448 Tb32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0705","0.0547","","","0.1401","0.1491","","","","","","1.096","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507514","45.87","0.004","45.87","0.004","10.998","0.0007","90","","90","","90","","23140","3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co Dy2 N8 O29 -","- C48 H36 Co Dy2 N8 O28 -","- C768 H576 Co16 Dy32 N128 O448 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1463","0.0762","","","0.185","0.2202","","","","","","0.994","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507515","16.954","0.005","16.954","0.005","13.846","0.005","90","0.005","90","0.005","120","0.005","3446.7","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0762","0.0587","","","0.1745","0.1921","","","","","","1.109","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507516","17.275","0.005","17.275","0.003","14.107","0.005","90","0.005","90","0.005","120","0.005","3645.9","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0898","0.0535","","","0.12","0.1297","","","","","","0.835","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507517","39.12","0.005","39.12","0.005","39.12","0.005","90","","90","","90","","59868","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 O32 S4 Zr6.13 -","- C24 H8 O32 S4 Zr6.45 -","- C576 H192 O768 S96 Zr154.8 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0709","0.0705","","","0.2061","0.2064","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507518","39.01","0.005","39.01","0.005","39.01","0.005","90","","90","","90","","59365","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 Hf6.45 O32 S4 -","- C24 H8 Hf6.45 O32 S4 -","- C576 H192 Hf154.8 O768 S96 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.037","0.0366","","","0.1243","0.1246","","","","","","1.145","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507519","53.68","0.006","53.68","0.006","53.68","0.006","90","","90","","90","","154681","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8 O32.6 S4.4 Zr6.07 -","- C26.4 H8 O32.6 S4.4 Zr6.072 -","- C1584 H480 O1956 S264 Zr364.32 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0845","0.0795","","","0.2328","0.2403","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507520","53.51","0.006","53.51","0.006","53.51","0.006","90","","90","","90","","153216","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8.8 Hf6.09 O32.8 S4.4 -","- C26.4 H8.8 Hf6.092 O32.8 S4.4 -","- C1584 H528 Hf365.52 O1968 S264 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0644","0.0611","","","0.1853","0.1891","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507521","13.57","0.003","19.8","0.004","28.39","0.006","90","","90","","90","","7628","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 O32 S5 Zr6 -","- C30 H10 O32 S5 Zr6 -","- C120 H40 O128 S20 Zr24 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.1037","0.0888","","","0.2562","0.2771","","","","","","1.072","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507522","13.53","0.003","19.71","0.004","28.3","0.006","90","","90","","90","","7547","3","293","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 Hf6 O32 S5 -","- C30 H10 Hf6 O32 S5 -","- C120 H40 Hf24 O128 S20 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0524","0.0509","","","0.1507","0.1517","","","","","","1.105","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507523","22.375","0.002","22.375","0.002","22.375","0.002","90","","90","","90","","11201.8","1.7","100","2","100","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C30 H23 In N4 S3 -","- C30 H23 In N4 S3 -","- C360 H276 In12 N48 S36 -","12","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0881","0.0863","","","0.2173","0.2199","","","","","","1.016","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507524","22.086","0.002","22.086","0.002","22.086","0.002","90","","90","","90","","10773.4","1.7","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C19 H12.67 Cl3 In N6.33 -","- C19.008 H12.672 Cl3 In N6.336 -","- C114.048 H76.032 Cl18 In6 N38.016 -","6","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.1683","0.0812","","","0.1898","0.224","","","","","","1.008","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507525","10.283","0.003","13.703","0.003","16.698","0.004","90","","90","","90","","2352.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 In N4 O S2 -","- C24 H19 In N4 O S2 -","- C96 H76 In4 N16 O4 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0615","0.0447","","","0.0795","0.0826","","","","","","1.002","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507526","10.922","0.002","13.515","0.003","22.18","0.003","90","","119.18","0.03","90","","2858.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H30 In N4 O3 S2 -","- C27.501 H24.848 In N4 O3.001 S2 -","- C110.004 H99.392 In4 N16 O12.004 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0332","0.0268","","","0.0703","0.0722","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507527","12.4378","0.0006","14.7717","0.0008","16.6097","0.0009","90","","90","","90","","3051.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0793","0.0594","","","0.159","0.1748","","","","","","1.053","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507528","12.6991","0.0005","15.5711","0.0006","16.3313","0.0006","90","","90","","90","","3229.3","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0983","0.0882","","","0.2477","0.2584","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507529","12.6358","0.0008","15.2897","0.0009","16.4183","0.001","90","","90","","90","","3172","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.1031","0.0685","","","0.1652","0.1879","","","","","","1.086","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507530","17.9946","0.0019","20.49","0.002","27.772","0.003","82.113","0.002","72.543","0.002","84.884","0.002","9663.3","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H92 N30 O33 Zn8 -","- C139 H92 N30 O33 Zn8 -","- C278 H184 N60 O66 Zn16 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.1497","0.0701","","","0.163","0.1791","","","","","","0.934","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507531","19.0758","0.0019","19.0758","0.0019","11.429","0.002","90","","90","","120","","3601.7","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.098","0.0894","","","0.2307","0.2354","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507532","8.5692","0.0012","20.821","0.003","15.037","0.002","90","","97.053","0.002","90","","2662.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O5.5 Zn -","- C25 H20 N6 O5.5 Zn -","- C100 H80 N24 O22 Zn4 -","4","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0553","0.0441","","","0.1281","0.1371","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507533","36.3142","0.0019","36.3142","0.0019","36.3142","0.0019","90","","90","","90","","47888","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C1920 H1536 N384 O384 Zn96 -","96","0.5","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0972","0.0627","","","0.1725","0.1867","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507534","14.705","0.002","15.934","0.003","16.796","0.003","90","","90","","90","","3935.5","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N6 O6 Zn -","- C20 H17 N6 O6 Zn -","- C160 H136 N48 O48 Zn8 -","8","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0781","0.052","","","0.1365","0.1555","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507535","7.7103","0.0006","17.4489","0.0013","18.0994","0.0013","85.999","0.001","89.112","0.001","83.65","0.001","2414.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 N12 O18 Zn2 -","- C50 H36 N12 O18 Zn2 -","- C100 H72 N24 O36 Zn4 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0407","0.0329","","","0.087","0.092","","","","","","1.028","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507536","14.9938","0.0019","12.6823","0.0016","8.2101","0.001","90","","91.66","0.002","90","","1560.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Cd Cl2 N6 O4 -","- C34 H22 Cd Cl2 N6 O4 -","- C68 H44 Cd2 Cl4 N12 O8 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0452","0.0315","","","0.0754","0.0832","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507537","30.741","0.003","15.1729","0.0016","20.697","0.002","90","","125.529","0.002","90","","7856.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Cd N8 O13.5 -","- C34 H22 Cd N8 O13.5 -","- C272 H176 Cd8 N64 O108 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1006","0.0704","","","0.1929","0.2285","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507538","23.192","0.013","9.862","0.006","17.081","0.009","90","","113.969","0.01","90","","3570","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd N8 O12 -","- C34 H26 Cd N8 O12 -","- C136 H104 Cd4 N32 O48 -","4","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0525","0.0403","","","0.1003","0.1084","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507539","10.0026","0.0008","12.8675","0.001","15.4829","0.0012","80.627","0.002","71.799","0.002","84.189","0.002","1865.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cd Cl2 N6 O15 -","- C34 H28 Cd Cl2 N6 O15 -","- C68 H56 Cd2 Cl4 N12 O30 -","2","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0544","0.0424","","","0.1113","0.1227","","","","","","1.058","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507540","9.7355","0.001","10.0002","0.001","26.295","0.003","90","","90","","90","","2560","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cd Cl2 N3 O13.5 -","- C17 H15 Cd Cl2 N3 O13.5 -","- C68 H60 Cd4 Cl8 N12 O54 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0783","0.0559","","","0.1394","0.1561","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507541","16.674","0.003","9.1071","0.0016","24.873","0.004","90","","108.219","0.004","90","","3587.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29.6 Cd N6 O11.8 S -","- C34 H24 Cd N6 O11.8 S -","- C136 H96 Cd4 N24 O47.2 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1281","0.0644","","","0.1526","0.1872","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507542","8.8794","0.0017","10.993","0.002","12.0665","0.0017","90","","121.531","0.01","90","","1003.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Cd N3 O6 -","- C21 H17 Cd N3 O6 -","- C42 H34 Cd2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0257","","","0.069","0.0696","","","","","","1.112","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507543","8.7188","0.0003","10.9954","0.0003","12.0144","0.0003","90","","121.556","0.002","90","","981.47","0.05","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 N3 O6 Zn -","- C21 H17 N3 O6 Zn -","- C42 H34 N6 O12 Zn2 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0247","","","0.0731","0.0749","","","","","","1.122","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507544","8.9228","0.0019","10.996","0.002","12.0653","0.0018","90","","121.556","0.011","90","","1008.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Hg N3 O6 -","- C21 H17 Hg N3 O6 -","- C42 H34 Hg2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0542","0.0376","","","0.0782","0.0873","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507545","10.4621","0.001","16.608","0.0015","13.9436","0.0013","90","","90","","90","","2422.8","0.4","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","1","","","- C24 H23 Cd N3 O7 -","- C24 H23 Cd N3 O7 -","- C96 H92 Cd4 N12 O28 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0615","0.0473","","","0.1185","0.1246","","","","","","1.14","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507546","16.811","0.003","13.891","0.003","20.743","0.004","90","","90","","90","","4843.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C168 H128 Cd8 N16 O48 -","8","1","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0434","0.0297","","","0.0728","0.0792","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507547","10.3913","0.0008","16.7981","0.0013","13.8612","0.0011","90","","90","","90","","2419.5","0.3","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","3","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0657","0.0551","","","0.1421","0.1493","","","","","","1.101","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507548","10.6684","0.0002","11.1245","0.0001","51.3881","0.0007","90","","90","","90","","6098.77","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 4.0 propionic acid 3.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/propionic acid solvate","","- C54 H95 N O27 -","- C54 H95 N O27 -","- C216 H380 N4 O108 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0552","0.0548","","","0.1577","0.1583","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507549","10.1563","0.0003","11.1999","0.0005","53.615","0.0015","90","","90","","90","","6098.7","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monopotassium glicyrrhizinate 5.66 acetic acid 2.02 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monopotassium salt water/acetic acid solvate","","- C53.27 H87.73 K O29.36 -","- C53.274 H85.548 K O29.363 -","- C213.096 H342.192 K4 O117.452 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0562","0.0556","","","0.1548","0.1557","","","","","","1.059","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507550","10.673","0.0002","11.1804","0.0002","51.5673","0.0012","90","","90","","90","","6153.4","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monocaesium glicyrrhizinate 3.79 propionic acid 3.21 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monocaesium salt water/acetic acid solvate","","- C53.38 H90.16 Cs O26.79 -","- C53.379 H89.758 Cs O26.793 -","- C213.516 H359.032 Cs4 O107.172 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.044","0.0432","","","0.118","0.1188","","","","","","1.114","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507551","9.855","0.0004","11.2823","0.0003","52.659","0.003","90","","90","","90","","5855","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diammonium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic diammonium salt water/DMF solvate","","- C51 H93 N5 O21 -","- C51 H92.68 N5 O21 -","- C204 H370.72 N20 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0607","0.0595","","","0.1727","0.1743","","","","","","1.056","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507552","9.8405","0.0001","11.252","0.0001","52.2345","0.0002","90","","90","","90","","5783.68","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipotassium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dipotassium salt water/DMF solvate","","- C51 H85 K2 N3 O21 -","- C51 H84.618 K2 N3 O21 -","- C204 H338.472 K8 N12 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0508","0.0503","","","0.1428","0.1434","","","","","","1.092","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507553","10.2854","0.0001","11.4845","0.0001","51.8388","0.0006","90","","90","","90","","6123.34","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dicaesium glicyrrhizinate 3.00 DMF 3.40 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dicaesium salt water/DMF solvate","","- C51 H87.8 Cs2 N3 O22.4 -","- C51 H83 Cs2 N3 O22.421 -","- C204 H332 Cs8 N12 O89.684 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.049","0.0481","","","0.1329","0.134","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507554","5.807","0.002","13.549","0.008","14.28","0.006","90","","90","","90","","1123.5","0.9","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0815","0.043","","","0.1003","0.1316","","","","","","1.113","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507555","8.74","0.03","5.781","0.014","10.63","0.03","90","","92.01","0.17","90","","537","3","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1214","0.0747","","","0.1826","0.2191","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507556","5.96","0.003","14.019","0.009","15.021","0.011","90","","90","","90","","1255.1","1.4","205","","205","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.065","0.0477","","","0.1199","0.1348","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507557","5.4526","0.0012","13.538","0.003","14.735","0.004","90","","90","","90","","1087.7","0.5","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1033","0.0558","","","0.1209","0.1549","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507558","7.223","0.009","7.623","0.01","12.098","0.016","90","","105.67","0.03","90","","641.4","1.4","179","","179","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0551","0.0489","","","0.1437","0.152","","","","","","1.121","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507559","13.215","0.004","4.7872","0.0008","8.9622","0.0019","90","","90","","90","","567","0.2","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0923","0.0499","","","0.1296","0.1692","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507560","7.452","0.006","5.987","0.006","14.693","0.017","90","","104","0.03","90","","636.1","1.1","217","","217","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C–H···F–C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0753","0.0474","","","0.1203","0.1384","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507561","9.0696","0.0012","10.2211","0.0016","9.1028","0.0012","90","","90","","90","","843.8","0.2","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.42 Ru1.58 Yb -","- Al10 Mn0.418 Ru1.582 Yb -","- Al40 Mn1.672 Ru6.328 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0423","0.0303","","","0.0469","0.0496","","","","","","1.11","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507562","9.071","0.002","10.225","0.003","9.102","0.002","90","","90","","90","","844.2","0.4","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.44 Ru1.56 Yb -","- Al10 Mn0.442 Ru1.558 Yb -","- Al40 Mn1.768 Ru6.232 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0486","0.0512","","","","","","1.131","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507563","8.9852","0.001","10.204","0.0012","9.0288","0.001","90","","90","","90","","827.81","0.16","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Fe1.18 Mn0.82 Yb -","- Al10 Fe1.18 Mn0.82 Yb -","- Al40 Fe4.72 Mn3.28 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0277","0.0255","","","0.0632","0.064","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507564","12.761","0.002","12.761","0.002","5.1194","0.0015","90","","90","","90","","833.7","0.3","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.85 Mn1.95 Ru0.21 Yb -","- Al9.846 Mn1.946 Ru0.208 Yb -","- Al39.384 Mn7.784 Ru0.832 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0621","0.0283","","","0.0531","0.0621","","","","","","1.019","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507565","12.732","0.001","12.732","0.001","5.1123","0.0005","90","","90","","90","","828.72","0.12","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.69 Fe0.32 Mn1.99 Yb -","- Al9.672 Fe0.274 Mn2.054 Yb -","- Al38.688 Fe1.096 Mn8.216 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0355","0.026","","","0.0664","0.073","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507566","8.968","0.002","8.968","0.002","5.105","0.002","90","","90","","90","","410.6","0.2","298","2","298","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al9.51 Fe0.28 Mn2.21 Yb -","- Al9.52 Fe0.28 Mn2.212 Yb -","- Al19.04 Fe0.56 Mn4.424 Yb2 -","2","0.0625","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0192","0.0177","","","0.0357","0.0361","","","","","","1.095","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507567","12.6069","0.0017","13.6925","0.0018","14.595","0.002","90","","110.973","0.003","90","","2352.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C88 H96 N32 O32 -","8","2","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.1303","0.0856","","","0.1405","0.1556","","","","","","1.142","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507568","7.4285","0.0006","22.0769","0.0018","10.9219","0.001","90","","101.461","0.009","90","","1755.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N7 O6 -","- C15 H19 N7 O6 -","- C60 H76 N28 O24 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.1441","0.0517","","","0.0664","0.0812","","","","","","0.851","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507569","5.3525","0.0005","17.8159","0.0012","11.0537","0.001","90","","99.057","0.008","90","","1040.93","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.0707","0.0426","","","0.0982","0.1071","","","","","","0.968","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507570","6.75","0.002","7.06","0.002","14.809","0.004","95.977","0.004","97.899","0.005","104.722","0.004","668.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0809","0.04","","","0.0967","0.111","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507571","8.79","0.004","14.615","0.007","6.955","0.003","90","","97.799","0.008","90","","885.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N Na O5 -","- C7 H10 N Na O5 -","- C28 H40 N4 Na4 O20 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0495","0.0434","","","0.1015","0.1048","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507572","15.794","0.0016","19.897","0.002","5.5179","0.0006","90","","90","","90","","1734","0.3","298","2","298","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C14 H16 N2 O10 S -","- C14 H16 N2 O10 S -","- C56 H64 N8 O40 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0468","0.0443","","","0.111","0.1123","","","","","","1.135","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507573","3.7161","0.0004","7.3629","0.0009","23.307","0.003","90","","91.889","0.002","90","","637.36","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0759","0.0589","","","0.1365","0.1456","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507574","5.1586","0.0006","8.9072","0.0009","20.768","0.002","86.317","0.007","86.355","0.007","73.313","0.007","911.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethene cocrystal","","- C40 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0905","0.078","","","0.1984","0.2095","","","","","","1.026","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507575","5.3101","0.0004","8.6465","0.0005","20.705","0.0014","84.956","0.004","85.946","0.004","74.581","0.004","911.77","0.11","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethane cocrystal","","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0426","0.0379","","","0.0924","0.0963","","","","","","1.023","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507576","16.656","0.007","5.312","0.002","17.227","0.007","90","","113.59","0.03","90","","1396.8","1","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C56 H36 Cl4 F12 N4 O8 -","4","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0854","0.0418","","","0.087","0.106","","","","","","1.024","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507577","7.464","0.002","25.721","0.007","9.446","0.003","90","","90","","90","","1813.5","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl La N O5 -","- C17 H15 Cl La N O5 -","- C68 H60 Cl4 La4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0426","0.0349","","","0.0855","0.0894","","","","","","1.098","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507578","7.4355","0.0012","25.881","0.004","9.5099","0.0015","90","","90","","90","","1830.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ce Cl N O5 -","- C17 H15 Ce Cl N O5 -","- C68 H60 Ce4 Cl4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0319","","","0.0734","0.0744","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507579","7.3702","0.0009","25.843","0.003","9.4821","0.0012","90","","90","","90","","1806","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Pr -","- C17 H15 Cl N O5 Pr -","- C68 H60 Cl4 N4 O20 Pr4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0395","0.0314","","","0.0699","0.0729","","","","","","1.073","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507580","7.3481","0.0008","25.927","0.003","9.5122","0.001","90","","90","","90","","1812.2","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N Nd O5 -","- C17 H15 Cl N Nd O5 -","- C68 H60 Cl4 N4 Nd4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0302","","","0.069","0.0704","","","","","","1.138","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507581","7.2822","0.0014","25.977","0.005","9.5234","0.0019","90","","90","","90","","1801.5","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Sm -","- C17 H15 Cl N O5 Sm -","- C68 H60 Cl4 N4 O20 Sm4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.066","0.0508","","","0.1208","0.1321","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507582","12.284","0.003","8.198","0.002","15.484","0.004","90","","96.174","0.004","90","","1550.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,6-dichlorophenylamine)phenylacetoxyacetic acid","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0756","0.0535","","","0.1185","0.1288","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507583","11.296","0.001","8.7429","0.0008","20.8507","0.0019","90","","98.012","0.001","90","","2039.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-cytosine","","- C20 H18 Cl2 N4 O5 -","- C20 H18 Cl2 N4 O5 -","- C80 H72 Cl8 N16 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0389","0.0361","","","0.0861","0.088","","","","","","1.102","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507584","9.1898","0.0011","5.5983","0.0007","34.89","0.004","90","","94.038","0.002","90","","1790.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-piperazine(0.5)","","- C18 H18 Cl2 N2 O4 -","- C18 H18 Cl2 N2 O4 -","- C72 H72 Cl8 N8 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0573","0.0499","","","0.1079","0.1112","","","","","","1.13","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507585","7.5085","0.0005","11.9908","0.0008","22.2488","0.0015","90","","91.569","0.001","90","","2002.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 N4 O9 -","- C42 H36 Cl4 N4 O9 -","- C84 H72 Cl8 N8 O18 -","2","0.5","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0307","0.0293","","","0.0759","0.077","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507586","10.3411","0.0013","14.521","0.002","10.5314","0.0014","90","","100.291","0.004","90","","1556","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0424","0.0334","","","0.0811","0.0867","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507587","9.8544","0.0014","16.314","0.002","9.9754","0.0012","90","","98.304","0.008","90","","1586.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1119","0.0542","","","0.1197","0.1424","","","","","","0.996","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507588","10.442","0.001","17.7328","0.0015","15.5165","0.0013","90","","126.279","0.005","90","","2316.2","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine 2-butoxyethanol","","","- C23 H34 N4 O2 S -","- C23 H34 N4 O2 S -","- C92 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0659","0.0389","","","0.0856","0.0989","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507589","12.7244","0.0009","11.7538","0.0008","16.0067","0.0011","90","","94.782","0.002","90","","2385.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","olanzapine 2,2,2-trifluoroethanol","","","- C21 H26 F6 N4 O2 S -","- C21 H26 F6 N4 O2 S -","- C84 H104 F24 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0976","0.0579","","","0.1358","0.1557","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507590","10.0427","0.0011","12.743","0.0013","14.3886","0.0015","90","","92.436","0.004","90","","1839.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine acetic acid","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0356","0.0305","","","0.0893","0.0995","","","","","","1.141","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507591","9.8393","0.0016","13.278","0.002","14.588","0.002","90","","96.328","0.007","90","","1894.3","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethyleneglycol","","","- C19 H26 N4 O2 S -","- C19 H26 N4 O2 S -","- C76 H104 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1061","0.0638","","","0.1485","0.1704","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507592","10.3489","0.0018","13.003","0.002","13.87","0.002","90","","92.496","0.006","90","","1864.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethanol","","","- C19 H26 N4 O S -","- C19 H26 N4 O S -","- C76 H104 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0776","0.0414","","","0.0828","0.0944","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507593","14.207","0.0001","12.2211","0.0009","14.55","0.001","90","","109.239","0.003","90","","2385.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine TBMe hydrate","","","- C22 H36 N4 O3 S -","- C22 H36 N4 O3 S -","- C88 H144 N16 O12 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0647","0.0493","","","0.1304","0.1425","","","","","","1.024","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507594","13.4466","0.001","12.3833","0.0009","14.5522","0.0009","90","","104.839","0.002","90","","2342.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine-2-pentanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.044","","","0.1172","0.1259","","","","","","1.035","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507595","14.817","0.001","12.623","0.001","14.461","0.001","90","","113.36","0.02","90","","2483","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N,N-triethylamine hydrate","","","- C20 H31.5 N4.5 O2 S -","- C20 H31.5 N4.5 O2 S -","- C80 H126 N18 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.132","0.0924","","","0.2892","0.3308","","","","","","1.277","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507596","14.2491","0.0009","12.3838","0.0008","27.1418","0.0017","90","","99.052","0.002","90","","4729.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine t-butanol hydrate","","","- C21 H35 N4 O3.5 S -","- C21 H35 N4 O3.5 S -","- C168 H280 N32 O28 S8 -","8","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0672","0.0467","","","0.1274","0.1422","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507597","12.342","0.0017","13.3559","0.0018","14.63","0.002","105.883","0.006","90.29","0.006","92.005","0.006","2317.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 3-methyl 1-butanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0936","0.0822","","","0.2274","0.2397","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507598","12.2637","0.0011","14.1146","0.001","14.1783","0.0012","63.985","0.003","65.649","0.004","65.437","0.004","1924.9","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 1.4-butanediol hydrate","","","- C38 H54 N8 O4 S2 -","- C38 H54 N8 O4 S2 -","- C76 H108 N16 O8 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0452","0.0347","","","0.0859","0.092","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507599","14.9885","0.0009","12.7558","0.0007","19.8567","0.0012","90","","93.348","0.002","90","","3789.9","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N dimethylforamide hydrate","","","- C37 H51 N9 O3 S2 -","- C37 H51 N9 O3 S2 -","- C148 H204 N36 O12 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0674","0.04","","","0.097","0.1137","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507600","14.8824","0.0007","12.7289","0.0007","20.3218","0.0011","90","","93.465","0.002","90","","3842.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine pyridine hydrate","","","- C39 H49 N9 O2 S2 -","- C39 H49 N9 O2 S2 -","- C156 H196 N36 O8 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0519","0.0345","","","0.0851","0.0957","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507601","24.2355","0.001","12.5913","0.0005","15.0767","0.0006","90","","124.999","0.001","90","","3768.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzpaine tetrahydrofuran hydrate","","","- C19 H26 N4 O1.5 S -","- C19 H26 N4 O1.5 S -","- C152 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0484","0.042","","","0.1083","0.1146","","","","","","1.026","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507602","24.447","0.003","12.566","0.0016","14.9591","0.0019","90","","125.421","0.005","90","","3744.9","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,4-dioxan hydrate","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C152 H192 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1131","0.0808","","","0.2103","0.2372","","","","","","1.026","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507603","24.226","0.002","12.5269","0.0012","15.0737","0.0015","90","","124.976","0.004","90","","3748.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetone hydrate","","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.097","0.0463","","","0.0985","0.1183","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507604","24.575","0.006","12.429","0.003","15.006","0.003","90","","125.255","0.007","90","","3742.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-butanol hydrate","","","- C19 H27 N4 O1.5 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.051","0.0465","","","0.1168","0.1212","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507605","24.381","0.002","12.3856","0.0009","15.0565","0.0014","90","","125.321","0.007","90","","3709.7","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetonitrile hydrate","","","- C19 H22 N5 O S -","- C18.825 H22 N4.675 O S -","- C150.6 H176 N37.4 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0673","0.0575","","","0.1793","0.1951","","","","","","1.144","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507606","24.352","0.003","12.3706","0.0013","15.0182","0.0018","90","","125.531","0.005","90","","3681.8","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine nitromethane hydrate","","","- C17 H22 N4 O S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0366","0.0325","","","0.0983","0.101","","","","","","1.117","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507607","24.4675","0.0013","12.2298","0.0008","15.1073","0.0008","90","","125.675","0.002","90","","3672.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2-dimethoxyethane hydrate","","","- C19 H27 N4 O2 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0899","0.053","","","0.1235","0.1334","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507608","25.0869","0.0008","12.3821","0.0004","15.1983","0.0005","90","","126.872","0.001","90","","3776.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 2-methoxyethanol hydrate","","","- C18.5 H26 N4 O2 S -","- C18.5 H26 N4 O2 S -","- C148 H208 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0802","0.0682","","","0.179","0.1905","","","","","","1.036","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507609","24.899","0.004","12.5316","0.0019","15.243","0.002","90","","126.99","0.005","90","","3799","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine methylacetate hydrate","","","- C18.5 H25 N4 O2 S -","- C18.5 H25 N4 O2 S -","- C148 H200 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.0448","","","0.1161","0.1245","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507610","24.704","0.002","12.1883","0.001","15.1242","0.0012","90","","125.206","0.003","90","","3720.9","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2 propanediol hydrate","","","- C18.5 H23 N4 O2.25 S -","- C18.5 H23 N4 O2.25 S -","- C148 H184 N32 O18 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0692","0.0532","","","0.1404","0.1541","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507611","24.4748","0.0013","12.3515","0.0006","15.1109","0.0008","90","","125.649","0.001","90","","3712","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-propanol hydrate","","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.039","0.0336","","","0.0872","0.0908","","","","","","1.04","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507612","24.94","0.006","12.156","0.003","14.867","0.003","90","","124.928","0.006","90","","3695.4","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine higher hydrate","","","- C17 H25 N4 O2.5 S -","- C17 H25 N4 O2.5 S -","- C136 H200 N32 O20 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1009","0.0695","","","0.1864","0.2102","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507613","10.1493","0.0009","12.2895","0.001","14.0944","0.0013","90","","91.905","0.005","90","","1757","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine methanol","","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C72 H96 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0669","0.0392","","","0.0874","0.1002","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507614","9.846","0.002","12.672","0.003","14.384","0.003","90","","92.724","0.009","90","","1792.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine dihydrate","","","- C17 H24 N4 O2 S -","- C17 H24 N4 O2 S -","- C68 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0561","0.0385","","","0.0904","0.0981","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507615","9.6671","0.0015","11.507","0.0017","16.697","0.002","103.991","0.006","96.989","0.006","99.825","0.006","1749.9","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine dichloromethane","","","- C35 H42 Cl2 N8 S2 -","- C35 H42 Cl2 N8 S2 -","- C70 H84 Cl4 N16 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0311","0.0275","","","0.0696","0.0726","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507616","6.3725","0.0004","7.7363","0.0005","12.7332","0.001","74.359","0.006","83.755","0.006","83.938","0.005","599","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H7 N Ni O6 -","- C26 H14 N2 Ni2 O12 -","2","1","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0438","0.0367","","","0.1083","0.1122","","","","","","1.248","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507617","10.7647","0.0002","10.7647","0.0002","26.7578","0.001","90","","90","","120","","2685.25","0.12","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 N3 Ni2 O12.5 -","- C26 H14 N2 Ni2 O11 -","- C78 H42 N6 Ni6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0287","0.0275","","","0.0757","0.0763","","","","","","1.069","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507618","11.0778","0.0003","11.0778","0.0003","27.8793","0.0015","90","","90","","120","","2962.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 Co2 N3 O12.5 -","- C26 H14 Co2 N2 O11 -","- C78 H42 Co6 N6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0618","0.0495","","","0.1406","0.1485","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507619","9.7011","0.0005","9.7984","0.0005","14.9629","0.0007","89.705","0.004","79.165","0.004","68.68","0.005","1298.24","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H41 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","1","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0703","0.0646","","","0.1921","0.1993","","","","","","1.07","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507620","13.9345","0.0004","6.8516","0.0002","25.1563","0.0005","90","","133.798","0.001","90","","1733.56","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid","","- C19 H22 F N3 O3 -","- C19 H22 F N3 O3 -","- C76 H88 F4 N12 O12 -","4","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0353","0.0324","","","0.0912","0.0935","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507621","8.037","0.003","11.03","0.008","13.186","0.008","79.17","0.005","78.873","0.01","88.102","0.01","1126.5","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid hexahydrate","","- C19 H34 F N3 O9 -","- C19 H34 F N3 O9 -","- C38 H68 F2 N6 O18 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1582","0.0777","","","0.2027","0.2523","","","","","","1.044","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507622","7.2779","0.0004","12.2704","0.0008","14.5883","0.0009","95.722","0.004","99.508","0.004","102.931","0.004","1239.57","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 F N3 O8 -","- C23 H32 F N3 O8 -","- C46 H64 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.103","0.0581","","","0.1506","0.1853","","","","","","0.995","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507623","7.0956","0.0007","12.4527","0.0012","13.072","0.0015","87.337","0.007","75.913","0.007","84.671","0.007","1115.1","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","x-ray","0.71073","MoKα","","0.1892","0.068","","","0.136","0.1918","","","","","","0.935","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507624","7.0198","0.001","9.3767","0.0019","17.249","0.004","85.137","0.003","83.594","0.003","73.497","0.004","1080.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 F N3 O8 -","- C20 H29 F N3 O8 -","- C40 H58 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0701","0.0472","","","0.1095","0.1223","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507625","7.0383","0.0019","13.397","0.004","13.513","0.004","119.633","0.008","90.036","0.009","101.663","0.01","1077.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F N3 O7 -","- C23 H28 F N3 O7 -","- C46 H56 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1525","0.0776","","","0.1819","0.2226","","","","","","0.948","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507626","8.7779","0.0003","9.8015","0.0004","12.8782","0.0004","106.472","0.002","90.408","0.002","91.071","0.002","1062.25","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 F N4 O6 -","- C19 H31 F N4 O6 -","- C38 H62 F2 N8 O12 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0595","0.0379","","","0.0949","0.1147","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507627","6.9067","0.0007","13.4563","0.0014","13.6479","0.0013","119.469","0.004","100.139","0.005","92.049","0.006","1075.93","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0522","0.0389","","","0.0935","0.1009","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507628","28.378","0.009","15.978","0.005","21.376","0.012","90","","123.391","0.014","90","","8093","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H92 N8 O16 -","- C92 H92 N8 O16 -","- C368 H368 N32 O64 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.095","0.0538","","","0.1417","0.169","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507629","25.6177","0.0008","15.9531","0.0006","21.9422","0.0007","90","","107.82","0.002","90","","8537.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H96 N8 O16 -","- C96 H96 N8 O16 -","- C384 H384 N32 O64 -","4","1","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.1451","0.0838","","","0.1923","0.2249","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507630","9.6478","0.001","12.1746","0.0013","12.1908","0.0013","110.261","0.001","99.484","0.001","103.182","0.001","1260.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.0612","0.0537","","","0.156","0.1645","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507631","9.611","0.008","12.083","0.008","12.148","0.008","64.229","0.007","75.943","0.007","77.59","0.008","1222.7","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.1291","0.0726","","","0.1868","0.2176","","","","","","0.959","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507632","9.504","0.003","11.959","0.004","11.974","0.004","115.662","0.004","90.21","0.005","102.43","0.004","1190.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.082","0.0604","","","0.1602","0.1742","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507633","29.814","0.002","13.0074","0.0009","19.1298","0.0012","90","","90","","90","","7418.6","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H34 Cd N4 O7 -","- C41 H34 Cd N4 O7 -","- C328 H272 Cd8 N32 O56 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0672","0.0447","","","0.1267","0.1341","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507634","30.546","0.002","12.7113","0.0008","17.9776","0.0012","90","","90","","90","","6980.3","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H32 N4 O6 Zn -","- C41 H32 N4 O6 Zn -","- C328 H256 N32 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0737","0.0494","","","0.1354","0.1538","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507635","13.5383","0.001","18.7314","0.0014","26.43","0.0019","90","","90","","90","","6702.4","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O6 Zn -","- C37 H31 N5 O6 Zn -","- C296 H248 N40 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0762","0.0619","","","0.1896","0.1997","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507636","10.5949","0.0006","31.6554","0.0018","10.9487","0.0006","90","","106.847","0.001","90","","3514.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Co N4 O6 -","- C41 H32 Co N4 O6 -","- C164 H128 Co4 N16 O24 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0515","0.0386","","","0.0991","0.1111","","","","","","1.052","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507637","17.5542","0.001","9.9228","0.0006","23.9223","0.0014","90","","91.92","0.001","90","","4164.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Co N4 O5 -","- C41 H30 Co N4 O5 -","- C164 H120 Co4 N16 O20 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0541","0.0433","","","0.1399","0.1512","","","","","","1.087","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507638","11.4122","0.0016","11.4772","0.0016","13.373","0.0018","87.134","0.002","88.585","0.002","85.892","0.002","1744.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Co N4 O4 -","- C41 H28 Co N4 O4 -","- C82 H56 Co2 N8 O8 -","2","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0799","0.0703","","","0.1946","0.1974","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507639","10.877","0.005","13.682","0.005","16.048","0.006","79.096","0.005","74.69","0.005","85.081","0.006","2260.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H68 N10 O13 Sn2 -","- C32 H54 N10 O13 Sn2 -","- C64 H108 N20 O26 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0753","0.0571","","","0.1501","0.1818","","","","","","1.108","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507640","13.88","0.005","30.531","0.006","16.747","0.005","90","","101.941","0.005","90","","6943","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H107 N15 O7 Sn3 -","- C60 H107 N15 O7 Sn3 -","- C240 H428 N60 O28 Sn12 -","4","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0873","0.0556","","","0.1238","0.1424","","","","","","1.014","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507641","10.903","0.005","11.744","0.005","12.783","0.006","104.306","0.006","102.13","0.005","101.758","0.005","1493.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71073","MoKα","","0.0755","0.0636","","","0.1723","0.1858","","","","","","1.047","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507642","11.648","0.005","12.78","0.005","14.126","0.005","73.159","0.005","69.017","0.005","78.508","0.005","1868.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0334","0.0288","","","0.0766","0.0801","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507643","8.5206","0.0003","7.8048","0.0003","18.6978","0.0005","90","","90.034","0.003","90","","1243.43","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C32 H80 N16 S8 -","8","2","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0306","0.0253","","","0.0608","0.0632","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507644","4.9388","0.0002","11.653","0.0004","11.0955","0.0005","90","","101.202","0.004","90","","626.4","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C16 H40 N8 S4 -","4","1","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0309","0.0249","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507645","9.7664","0.0006","10.2018","0.0006","14.8809","0.0012","88.89","0.002","83.534","0.002","80.719","0.003","1453.94","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0783","0.0737","","","0.1819","0.1863","","","","","","1.045","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507646","9.755","0.0002","11.6924","0.0003","14.915","0.0004","102.883","0.0011","94.2657","0.0012","91.9333","0.0016","1651.56","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0787","0.0561","","","0.1188","0.1299","","","","","","1.029","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507647","8.9854","0.0003","11.4407","0.0003","14.6941","0.0004","91.122","0.001","93.739","0.001","95.604","0.001","1499.61","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0297","0.0289","","","0.0763","0.0769","","","","","","1.042","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507648","9.4016","0.0002","30.7877","0.0008","11.8342","0.0003","90","","90.9904","0.0018","90","","3424.94","0.14","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H48 N8 O13 Sn -","- C58 H48 N8 O13 Sn -","- C116 H96 N16 O26 Sn2 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.1192","0.0704","","","0.1483","0.1651","","","","","","0.937","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507649","25.487","0.0012","12.271","0.0007","21.9787","0.0018","90","","120.463","0.001","90","","5925","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 Br2 N8 O8 Sn -","- C56 H32 Br2 N8 O8 Sn -","- C224 H128 Br8 N32 O32 Sn4 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0972","0.0597","","","0.1669","0.1799","","","","","","1.032","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507650","46.414","0.016","5.908","0.002","33.32","0.009","90","","128.581","0.016","90","","7142","4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Cd3 N2 O23 -","- C50 H50 Cd3 N2 O23 -","- C200 H200 Cd12 N8 O92 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0908","0.0553","","","0.0961","0.1011","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507651","17.278","0.003","11.0227","0.0018","18.58","0.003","90","","116.817","0.002","90","","3158","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd3 N8 O22 -","- C62 H50 Cd3 N8 O22 -","- C124 H100 Cd6 N16 O44 -","2","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0499","0.0418","","","0.0875","0.0896","","","","","","1.059","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507652","36.68","0.015","5.819","0.002","33.079","0.014","90","","90","","90","","7060","5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H70 Cd3 N6 O23 -","- C67 H70 Cd3 N6 O23 -","- C268 H280 Cd12 N24 O92 -","4","1","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.049","0.0429","","","0.104","0.1066","","","","","","1.017","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507653","16.488","0.003","9.4509","0.0015","27.363","0.004","90","","102.758","0.003","90","","4158.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Mn3 O20 -","- C42 H30 Mn3 O20 -","- C168 H120 Mn12 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0582","0.0448","","","0.1007","0.1051","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507654","27.43","0.004","21.601","0.003","9.3796","0.0012","90","","106.412","0.002","90","","5331.1","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Mn3 N2 O20 -","- C48 H40 Mn3 N2 O20 -","- C192 H160 Mn12 N8 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0782","0.0496","","","0.115","0.125","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507655","11.182","0.0016","12.3862","0.0017","14.411","0.002","90.637","0.013","105.444","0.016","90.101","0.015","1923.7","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.1852","0.0756","","","0.2046","0.2607","","","","","","0.89","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507656","11.116","0.0012","12.3805","0.0014","14.3352","0.0014","90.89","0.009","105.252","0.012","90.301","0.01","1903","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.112","0.0814","","","0.2576","0.2959","","","","","","1.05","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507657","11.12","0.003","12.377","0.003","14.302","0.003","90.989","0.003","105.2","0.03","90.13","0.02","1899.2","0.8","252","0.2","252","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.117","0.0579","","","0.1491","0.1632","","","","","","0.839","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507658","5.5767","0.0007","11.307","0.002","14.36","0.003","85.31","0.016","79.891","0.013","87.302","0.013","887.9","0.3","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.2033","0.067","","","0.1401","0.1843","","","","","","0.814","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507659","5.6256","0.0002","11.3866","0.0005","14.4819","0.0006","85.347","0.004","79.642","0.003","87.531","0.004","909.15","0.06","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.0442","0.0399","","","0.1085","0.1128","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507660","5.6643","0.0008","11.432","0.0018","14.604","0.002","85.208","0.013","79.191","0.013","87.602","0.012","925.3","0.2","245","0.2","245","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.0711","0.0441","","","0.1225","0.1281","","","","","","0.962","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507661","9.106","0.005","9.342","0.005","16.542","0.005","81.937","0.005","89.035","0.005","63.45","0.005","1244.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0555","0.0445","","","0.1347","0.1502","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507662","10.423","0.011","10.693","0.012","10.805","0.012","77.758","0.013","77.448","0.013","80.607","0.013","1140","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0597","0.0478","","","0.1465","0.1554","","","","","","1.067","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507663","25.339","0.005","6.221","0.005","26.305","0.005","90","0.005","95.545","0.005","90","0.005","4127","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C168 H160 Ag8 N32 O24 -","8","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0417","0.0292","","","0.0643","0.0709","","","","","","1.027","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507664","12.774","0.005","10.38","0.005","16.042","0.005","90","0.005","95.09","0.005","90","0.005","2118.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C84 H80 Ag4 N16 O12 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0461","0.0318","","","0.0766","0.0859","","","","","","1.022","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507665","7.5848","0.0011","8.8251","0.0013","14.844","0.002","73.986","0.002","81.817","0.002","67.748","0.002","883.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0467","0.0378","","","0.1024","0.1079","","","","","","1.058","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507666","15.619","0.005","16.746","0.005","14.115","0.005","90","0.005","102.196","0.005","90","0.005","3609","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ag F6 N6 P -","- C36 H34 Ag F6 N6 P -","- C144 H136 Ag4 F24 N24 P4 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0828","0.0446","","","0.1139","0.1439","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507667","16","0.002","16","0.002","7.5","0.0015","90","","90","","120","","1662.8","0.4","293","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C48 H48 Mg6 N9 O30 -","3","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.9077","synchrotron","","0.0535","0.0509","","","0.1404","0.1423","","","","","","1.071","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507668","27.384","0.0006","27.384","0.0006","9.114","0.0004","90","","90","","120","","5918.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C144 H144 Mg18 N27 O90 -","9","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.71073","MoKα","","0.1035","0.0768","","","0.2388","0.2543","","","","","","1.052","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507669","5.8197","0.0007","7.382","0.0008","9.6242","0.0011","82.784","0.007","75.451","0.007","79.003","0.007","391.54","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C12 H26 N2 O6 -","2","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0628","0.0437","","","0.1141","0.127","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507670","9.075","0.003","10.526","0.004","10.954","0.004","66.29","0.02","83.87","0.02","88.28","0.02","952.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0989","0.0495","","","0.1225","0.1475","","","","","","0.935","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507671","14.253","0.016","17.64","0.02","18.279","0.017","90","","120.75","0.07","90","","3950","8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O10 -","- C16 H30 N2 O10 -","- C128 H240 N16 O80 -","8","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.1677","0.071","","","0.1652","0.2249","","","","","","0.96","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507672","13.737","0.004","9.975","0.003","8.836","0.002","90","","90","","90","","1210.8","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,2-dimethylimidazolium chloride","","","- C10 H17 Cl N4 -","- C10 H17 Cl N4 -","- C40 H68 Cl4 N16 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0224","0.0222","","","0.0593","0.0596","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507673","9.782","0.003","14.397","0.005","13.986","0.005","90","","105.785","0.006","90","","1895.4","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0552","0.0447","","","0.1202","0.1274","","","","","","1.037","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507674","7.679","0.002","8.747","0.002","15.342","0.004","97.427","0.003","97.273","0.003","106.38","0.003","965.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F2 N2 O7 Zn -","- C18 H15 F2 N2 O7 Zn -","- C36 H30 F4 N4 O14 Zn2 -","2","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0564","0.0396","","","0.0966","0.1038","","","","","","1.106","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507675","18.241","0.004","14.868","0.003","19.41","0.004","90","","90","","90","","5264.1","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","2","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0762","0.0492","","","0.1251","0.1401","","","","","","1.033","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507676","29.924","0.003","10.8697","0.0012","18.562","0.002","90","","116.496","0.001","90","","5403.4","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd F4 N4 O8 -","- C28 H20 Cd F4 N4 O8 -","- C224 H160 Cd8 F32 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0248","0.0238","","","0.0643","0.0649","","","","","","1.074","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507677","29.757","0.009","10.905","0.003","18.485","0.006","90","","115.391","0.003","90","","5419","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd N4 O8 -","- C28 H24 Cd N4 O8 -","- C224 H192 Cd8 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0354","0.0307","","","0.0867","0.0928","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507678","10.5203","0.0012","10.9798","0.0011","12.6131","0.0012","90.891","0.008","106.074","0.009","91.642","0.009","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O4 S2 -","- C13 H11 N3 O4 S2 -","- C52 H44 N12 O16 S8 -","4","2","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0584","0.042","","","0.0922","0.1015","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507679","10.482","0.004","8.811","0.003","19.127","0.01","90","","99.38","0.04","90","","1742.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O6 S2 -","- C15 H15 N3 O6 S2 -","- C60 H60 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1896","0.0761","","","0.1393","0.2155","","","","","","0.981","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507680","9.0697","0.0009","10.8773","0.0011","11.794","0.0009","105.197","0.008","96.812","0.007","107.752","0.009","1044.12","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O6 S2 -","- C20 H17 N3 O6 S2 -","- C40 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1196","0.0579","","","0.1061","0.1225","","","","","","0.954","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507681","7.1944","0.0004","11.9693","0.0011","12.0865","0.001","100.162","0.007","90.187","0.006","102.418","0.006","999.58","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1146","0.0657","","","0.1375","0.1633","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507682","12.08","0.003","14.546","0.003","9.954","0.002","90","","110.05","0.03","90","","1643.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 S2 -","- C14 H13 N3 O6 S2 -","- C56 H52 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1358","0.0732","","","0.1358","0.1561","","","","","","1.103","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507683","10.636","0.0018","15.312","0.003","10.4996","0.0018","90","","116.543","0.002","90","","1529.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 O4 S2 -","- C13 H12 Cl N3 O4 S2 -","- C52 H48 Cl4 N12 O16 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0397","0.0357","","","0.0901","0.0931","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507684","7.981","0.006","9.725","0.007","12.221","0.009","87.485","0.011","74.48","0.011","81.915","0.01","904.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N3 O7 S3 -","- C14 H15 N3 O7 S3 -","- C28 H30 N6 O14 S6 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.098","0.0804","","","0.2142","0.2292","","","","","","1.074","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507685","8.9532","0.001","9.1395","0.0013","21.195","0.002","90","","97.897","0.009","90","","1717.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O6 S2 -","- C14 H14 N4 O6 S2 -","- C56 H56 N16 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0625","0.0467","","","0.1307","0.1379","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507686","8.7424","0.0013","10.352","0.002","11.639","0.002","71.707","0.017","73.048","0.015","86.877","0.014","955.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O6 S2 -","- C16 H17 N3 O6 S2 -","- C32 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1499","0.058","","","0.0936","0.1128","","","","","","0.869","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507687","8.2448","0.0006","8.3847","0.0006","13.2691","0.0009","76.063","0.006","75.432","0.006","86.851","0.006","861.65","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S2 -","- C15 H16 N4 O4 S2 -","- C30 H32 N8 O8 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0752","0.0441","","","0.0954","0.1046","","","","","","0.946","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507688","9.2566","0.0007","9.4512","0.0011","11.6875","0.0012","75.01","0.01","87.291","0.007","89.025","0.008","986.58","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O7 S2 -","- C19 H17 N3 O7 S2 -","- C38 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0978","0.08","","","0.2429","0.2558","","","","","","1.117","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507689","9.117","0.001","9.8388","0.0012","11.424","0.0012","106.074","0.01","90.432","0.009","93.503","0.01","982.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1415","0.0905","","","0.2183","0.2615","","","","","","0.981","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507690","9.2338","0.0011","11.074","0.002","11.864","0.002","114.225","0.017","95.085","0.012","104.375","0.013","1046.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O7 S2 -","- C20 H17 N3 O7 S2 -","- C40 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.2426","0.0751","","","0.1107","0.1705","","","","","","0.906","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507691","6.8795","0.0003","9.798","0.0004","13.3598","0.0006","83.848","0.003","79.249","0.003","74.623","0.003","851.46","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Thallium Uranyl(VI) Dihydrogenphosphite-Phosphite","","","- H4 O16 P4 Tl2 U2 -","- H4 O16 P4 Tl2.005 U2 -","- H8 O32 P8 Tl4.01 U4 -","2","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0784","0.0501","","","0.1213","0.1353","","","","","","1.009","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507692","11.1774","0.0002","11.4215","0.0002","12.139","0.0002","90","","108.907","0.001","90","","1466.08","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl Phosphite","","","- H3 O14 P3 Tl2 U2 -","- H3 O14 P3 Tl2 U2 -","- H12 O56 P12 Tl8 U8 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0684","0.0358","","","0.0763","0.0883","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507693","14.7052","0.0016","10.448","0.0011","26.641","0.003","90","","91.203","0.008","90","","4092.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl(VI) Phosphite","","","- H0 O37 P8 Tl6 U5 -","- O37 P8 Tl6 U5 -","- O148 P32 Tl24 U20 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.1266","0.0781","","","0.1805","0.2042","","","","","","0.976","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507694","13.5382","0.0005","13.5382","0.0005","19.4008","0.0009","90","","90","","90","","3555.8","0.2","100","2","100","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","Thallium Uranyl(VI) Phosphate-Phosphite","","","- H2 O18 P4 Tl3 U2 -","- H2 O18 P4 Tl3 U2 -","- H16 O144 P32 Tl24 U16 -","8","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0385","0.0329","","","0.0757","0.0781","","","","","","1.098","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507695","16.236","0.0005","10.4995","0.0003","11.0003","0.0003","90","","99.027","0.002","90","","1851.99","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Thallium Uranium(VI,IV) Phosphate-Phosphite","","","- H0 O19 P4 Tl2 U3 -","- O19 P4 Tl2 U3 -","- O76 P16 Tl8 U12 -","4","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0437","0.0355","","","0.081","0.0835","","","","","","1.089","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507696","8.5022","0.0002","9.0863","0.0002","15.6786","0.0004","90","","90","","90","","1211.23","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.0806","0.0414","","","0.0819","0.1033","","","","","","1.208","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507697","8.5568","0.0002","9.1952","0.0002","15.7495","0.0004","90","","90","","90","","1239.19","0.05","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.1046","0.0514","","","0.0802","0.1008","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507698","13.3441","0.001","43.503","0.005","13.1326","0.001","90","","90","","90","","7623.6","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H12 Cd N2.5 Na1.5 O9 -","- C15 H9 Cd N2.5 Na1.5 O9 -","- C240 H144 Cd16 N40 Na24 O144 -","16","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0487","","","0.1044","0.107","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507699","18.6294","0.001","9.9345","0.0005","14.7424","0.0008","90","","90","","90","","2728.4","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Cd N Na O14 -","- C18 H15 Cd N Na O14 -","- C72 H60 Cd4 N4 Na4 O56 -","4","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0601","","","0.1774","0.1823","","","","","","1.048","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507700","7.1116","0.0011","10.9029","0.0014","12.2212","0.0018","113.391","0.004","97.047","0.004","92.829","0.004","858.1","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-2,6-pyridine dicarboxylate","","","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","1","0.5","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0378","0.0305","","","0.0702","0.0733","","","","","","1.053","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507701","6.955","0.0007","6.9973","0.0007","12.8905","0.0012","81.541","0.008","81.012","0.008","78.708","0.008","603.22","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bi-imidazole dicarboxylate","","","- C10 H4 Bi N4 O8 -","- C10 H4 Bi N4 O8 -","- C20 H8 Bi2 N8 O16 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0292","0.0267","","","0.0635","0.0652","","","","","","1.054","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507702","7.2623","0.0013","7.5389","0.0012","8.1125","0.0014","97.699","0.006","101.048","0.006","113.21","0.005","389.69","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-3,4-pyridine dicarboxylate","","","- C7 H3 Bi N O5 -","- C7 H3 Bi N O5 -","- C14 H6 Bi2 N2 O10 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0408","0.0359","","","0.0776","0.0787","","","","","","1.051","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507703","6.432","0.002","22.966","0.009","5.0934","0.0019","90","","90","","90","","752.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl2 N2 O2 -","- C10 H26 Cl2 N2 O2 -","- C20 H52 Cl4 N4 O4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0668","0.0588","","","0.1378","0.1431","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507704","12.239","0.003","15.151","0.003","5.298","0.0011","90","","90","","90","","982.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H32 N2 O8 S2 -","- C12 H32 N2 O8 S2 -","- C24 H64 N4 O16 S4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.073","0.0646","","","0.1242","0.1274","","","","","","1.156","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507705","8.5813","0.0006","10.5252","0.0008","10.921","0.0008","70.626","0.001","68.872","0.001","73.867","0.001","853.82","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H58 N4 O13 -","- C28 H58 N4 O13.145 -","- C28 H58 N4 O13.145 -","1","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0328","0.0326","","","0.0859","0.0861","","","","","","1.041","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507706","7.1428","0.0003","8.4149","0.0003","10.1973","0.0004","90","","95.633","0.004","90","","609.96","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","1.5418","CuKα","","0.0526","0.0506","","","0.1438","0.1471","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507707","14.459","0.0015","20.243","0.001","21.109","0.002","90","","90","","90","","6178.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N3 O17 Y2 -","- C33 H15 N3 O17 Y2 -","- C132 H60 N12 O68 Y8 -","4","1","","Tang, Kuanzhen; Yun, Ruirui; Lu, Zhiyong; Du, Liting; Zhang, Mingxing; Wang, Qian; Liu, Huiyan","High CO2/N2Selectivity and H2Adsorption of a Novel Porous Yttrium Metal‒Organic Framework Based onN,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2013","13","4","1382","","10.1021/cg400096e","","","0.71073","MoKα","","0.1096","0.0927","","","0.228","0.2422","","","","","","0.778","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507708","33.404","0.002","19.1752","0.0007","22.1972","0.0011","90","","122.09","0.008","90","","12045.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H115 Gd1.42 N4 O60.5 S10 -","- C82 H72 Gd1.4186 N4 O60.5 S10 -","- C328 H288 Gd5.6744 N16 O242 S40 -","4","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1154","0.0798","","","0.2241","0.2378","","","","","","1.002","","","","has coordinates,has disorder","287892","2023-11-30","16:04:10",""
"4507709","18.4693","0.0005","18.5141","0.0005","21.9625","0.0006","104.299","0.002","101.711","0.002","103.672","0.002","6793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H288 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","1","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1992","0.1677","","","0.3467","0.363","","","","","","1.564","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507710","7.7801","0.0003","6.7905","0.0002","40.5837","0.0016","90","","95.328","0.003","90","","2134.8","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0464","0.0361","","","0.0914","0.0969","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507711","13.815","0.0003","9.116","0.0002","17.5978","0.0003","90","","102.795","0.001","90","","2161.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0376","0.0331","","","0.0881","0.0917","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507712","16.3186","0.0003","7.0532","0.0001","19.1212","0.0003","90","","105.894","0.001","90","","2116.68","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0368","0.0323","","","0.086","0.0895","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507713","7.6794","0.0002","8.1951","0.0002","19.2697","0.0004","85.791","0.002","88.984","0.002","75.052","0.002","1168.51","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.8 H28.2 Cl2 N3 O2.8 -","- C23.8 H28.2 Cl2 N3 O2.8 -","- C47.6 H56.4 Cl4 N6 O5.6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0446","0.0397","","","0.1189","0.1231","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507714","8.3321","0.0007","10.1219","0.0008","15.168","0.0013","84.562","0.005","84.704","0.005","68.879","0.004","1185.58","0.17","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O3 -","- C24 H29 Cl2 N3 O3 -","- C48 H58 Cl4 N6 O6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0427","0.0385","","","0.1081","0.1115","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507715","11.1026","0.0014","12.679","0.0014","16.6841","0.0019","90","","97.475","0.008","90","","2328.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 N3 O3 -","- C23 H27 Cl2 N3 O3 -","- C92 H108 Cl8 N12 O12 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.1072","0.0416","","","0.1326","0.1863","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507716","6.123","0.005","9.135","0.007","19.405","0.016","90","","90","","90","","1085.4","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2.002 N2 O2 -","- C32 H52 Cl4 F8.008 N8 O8 -","4","0.5","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.093","0.0888","","","0.2636","0.2684","","","","","","1.109","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507717","9.116","0.005","18.023","0.01","21.227","0.01","90","","115.33","0.02","90","","3152","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2 N2 O2 -","- C96 H156 Cl12 F24 N24 O24 -","12","3","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.112","0.0816","","","0.2157","0.253","","","","","","1.178","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507718","15.299","0.002","6.0123","0.0006","15.75","0.0019","90","","117.745","0.017","90","","1282.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Pérez-Fernández, R.; Fresno, N.; Goya, P.; Elguero, J.; Menéndez-Taboada, L.; García-Granda, S.; Marco, C.","Structure and Thermodynamical Properties of Metformin Salicylate","Crystal Growth & Design","2013","13","4","1780","","10.1021/cg400150f","","","1.5418","CuKα","","0.1102","0.0865","","","0.2487","0.2748","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507719","28.1968","0.0013","28.1968","0.0013","18.1399","0.001","90","","90","","90","","14422.3","1.2","293","2","293","2","","","","","","","","4","I -4 m 2","I -4 -2","119","","","","- C40 H26 Cu2 O10 -","- C40 H22 Cu2 O10 -","- C320 H176 Cu16 O80 -","8","0.5","","Cai, Jianfeng; Yu, Jiancan; Xu, Hui; He, Yabing; Duan, Xing; Cui, Yuanjing; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Doubly Interpenetrated Metal‒Organic Framework with Open Metal Sites and Suitable Pore Sizes for Highly Selective Separation of Small Hydrocarbons at Room Temperature","Crystal Growth & Design","2013","13","5","2094","","10.1021/cg400164m","","","0.71073","MoKα","","0.0579","0.0489","","","0.1293","0.1337","","","","","","1.17","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507720","13.6066","0.0002","13.6066","0.0002","13.6066","0.0002","90","","90","","90","","2519.12","0.06","298","2","298.15","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 H54 Mn8 Na4 O30 -","- C30 H54.72 Mn8 Na4 O30 -","- C60 H109.44 Mn16 Na8 O60 -","2","0.0208333","","Liu, Min-Min; Han, Cai-Yun; Qin, Ying-Lian; Zhang, Xian-Ming","Mn8@Na8Cube-in-Cube SBBs-Based Heterometallic Coordination Network with Unprecedented (39.46)8Topological Mn8(μ4-OMe)6Cubes","Crystal Growth & Design","2013","13","4","1386","","10.1021/cg400165v","","","0.71073","MoKα","","0.0687","0.064","","","0.2164","0.2313","","","","","","1.251","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507721","10.947","0.002","8.365","0.0017","22.229","0.004","90","","91.05","0.03","90","","2035.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C64 H72 N24 O40 -","8","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1399","0.0617","","","0.1217","0.15","","","","","","0.922","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507722","3.884","0.0008","17.364","0.003","12.699","0.003","90","","101.54","0.03","90","","839.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.0561","0.0413","","","0.1078","0.1147","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507723","11.2","0.002","5.052","0.001","22.001","0.004","90","","104.07","0.03","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C40 H52 N12 O20 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1764","0.0866","","","0.1784","0.2175","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507724","23.6644","0.0017","14.9473","0.0013","32.9534","0.0016","90","","93.185","0.003","90","","11638.2","1.4","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C120 H80 N8 O28 S4 Zn4 -","- C120 H80 N8 O28 S4 Zn4 -","- C480 H320 N32 O112 S16 Zn16 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0544","0.0495","","","0.1129","0.1138","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507725","14.754","0.002","24.039","0.003","25.304","0.003","90","","101.283","0.003","90","","8801.2","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H66 F12 N8 O13 Zn2 -","- C98 H66 F12 N8 O13 Zn2 -","- C392 H264 F48 N32 O52 Zn8 -","4","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.11","0.0631","","","0.1654","0.1773","","","","","","1.022","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507726","13.5717","0.0012","13.5717","0.0012","37.332","0.007","90","","90","","120","","5955","1.3","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H32 N4 O7 Zn -","- C46 H32 N4 O7 Zn -","- C276 H192 N24 O42 Zn6 -","6","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0786","0.0455","","","0.063","0.0659","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507727","13.2457","0.0008","13.256","0.0007","15.0285","0.0015","91.851","0.001","102.53","0.001","119.01","0.001","2223.3","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","1","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.1062","0.0584","","","0.0988","0.1115","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507728","13.821","0.009","32.91","0.02","14.903","0.01","90","","112.939","0.01","90","","6243","7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H43 Cd2 F12 N4 O13 -","- C66 H43 Cd2 F12 N4 O13 -","- C264 H172 Cd8 F48 N16 O52 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0639","0.0523","","","0.1497","0.1588","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507729","12.5223","0.0004","12.5223","0.0004","26.0224","0.001","90","","90","","90","","4080.5","0.2","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0617","0.0451","","","0.1323","0.1444","","","","","","1.065","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507730","13.2828","0.0005","13.2828","0.0005","26.6491","0.001","90","","90","","90","","4701.8","0.3","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H12 N10 O4 Zn2 -","- C12 H12 N10 O4 Zn2 -","- C96 H96 N80 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0568","0.0504","","","0.1466","0.1503","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507731","17.233","0.0008","13.825","0.0006","12.1786","0.0007","90","","92.4829","0.0018","90","","2898.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N8 O5 Zn2 -","- C18 H14 N8 O5 Zn2 -","- C72 H56 N32 O20 Zn8 -","4","1","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.1218","0.057","","","0.1521","0.2042","","","","","","1.086","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507732","13.4377","0.0009","17.6945","0.0009","16.5172","0.0008","90","","90","","90","","3927.4","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H29 I N8 O8 Zn2 -","- C38 H29 I1.0004 N8 O8 Zn2 -","- C152 H116 I4.0016 N32 O32 Zn8 -","4","0.5","","Cao, Li-Hui; Xu, Qing-Qing; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","First Three-Dimensional Self-Penetrating Coordination Polymer Containing Rare (10,3)-d Subnets: Synthesis, Structure, and Properties","Crystal Growth & Design","2013","13","5","1812","","10.1021/cg400191x","","","0.71073","MoKα","","0.1172","0.0944","","","0.1923","0.2014","","","","","","1.079","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507733","10.936","0.002","16.06","0.003","19.474","0.004","77.21","0.03","76.03","0.03","72.09","0.03","3117.9","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 Ag2 Cl2 N4 O9 P4 -","- C63 H56 Ag2 Cl2 N4 O9 P4 -","- C126 H112 Ag4 Cl4 N8 O18 P8 -","2","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.1203","0.0829","","","0.1648","0.1845","","","","","","1.101","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507734","20.415","0.004","13.369","0.003","20.967","0.004","90","","90","","90","","5722","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Cl N2 P2 -","- C31 H28 Ag Cl N2 P2 -","- C248 H224 Ag8 Cl8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0632","0.0534","","","0.0922","0.0964","","","","","","1.189","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507735","20.619","0.004","13.453","0.003","21.059","0.004","90","","90","","90","","5842","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Br N2 P2 -","- C31 H28 Ag Br N2 P2 -","- C248 H224 Ag8 Br8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0663","0.0559","","","0.1064","0.111","","","","","","1.244","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507736","13.815","0.003","20.767","0.004","41.214","0.008","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Ag2 N6 P4 S2 -","- C64 H56 Ag2 N6 P4 S2 -","- C512 H448 Ag16 N48 P32 S16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0833","0.0665","","","0.1368","0.1459","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507737","20.499","0.004","11.142","0.002","26.08","0.01","90","","123.51","0.02","90","","4967","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H86 Ag4 Cl2 N10 P6 -","- C98 H83 Ag4 Cl2 N10 P6 -","- C196 H166 Ag8 Cl4 N20 P12 -","2","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0828","0.0685","","","0.1758","0.188","","","","","","1.074","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507738","24.932","0.004","11.2178","0.0007","18.016","0.003","90","","129.11","0.03","90","","3909.8","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ag4 N7 P2 -","- C37 H31 Ag4 N7 P2 -","- C148 H124 Ag16 N28 P8 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0899","0.0743","","","0.1832","0.2028","","","","","","1.054","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507739","26.794","0.005","20.802","0.004","14.632","0.003","90","","121.21","0.03","90","","6975","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag7 N11 P4 -","- C69 H56 Ag7 N11 P4 -","- C276 H224 Ag28 N44 P16 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0989","0.0554","","","0.097","0.1114","","","","","","1.021","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507740","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","","","0.71073","MoKα","","0.0287","0.0273","","","0.0704","0.0722","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507741","10.8982","0.0032","14.146","0.005","9.7303","0.0028","90","","96.009","0.026","90","","1491.8","0.8","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H3 Co N O10 -","- C7 H3 Co N O10 -","- C28 H12 Co4 N4 O40 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","powder diffraction","x-ray","1.5418","","","","","","","","","1.11552","","10.51","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507742","8.9376","0.002","10.5525","0.0024","12.3822","0.0028","90","","90.601","0.011","90","","1167.8","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","2","","Negrier, Ph.; Barrio, M.; Tamarit, J. Ll.; Mondieig, D.; Zuriaga, M. J.; Perez, S. C.","Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)","Crystal Growth & Design","2013","13","5","2143","","10.1021/cg400235b","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507743","7.389","0.003","12.276","0.005","14.769","0.006","89.541","0.005","78.601","0.005","84.3","0.006","1306.6","0.9","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium)glutarate.pentahydrate","","- C19 H44 N6 O9 -","- C19 H44 N6 O9 -","- C38 H88 N12 O18 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0939","0.0487","","","0.1099","0.1302","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507744","7.454","0.007","10.516","0.01","16.998","0.016","84.407","0.011","87.349","0.013","73.631","0.011","1272","2","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium. pyridine-3,5-dicarboxylate tetrahydrate'","","- C21 H39 N7 O8 -","- C21 H39 N7 O8 -","- C42 H78 N14 O16 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.1604","0.0843","","","0.1511","0.1784","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507745","8.5739","0.0012","30.821","0.004","9.7863","0.0013","90","","107.986","0.002","90","","2459.7","0.6","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Di(1,5,7-triazabicyclo[4.4.0]dec-5-ene).Phthalatetrihydrate","1,2,benzenedicarboxylate.bis(1,3,4,6,7,8-hexahydro-2H-pyrimido [1,2-a]pyrimidinium)trihydrate","","- C22 H38 N6 O7 -","- C22 H38 N6 O7 -","- C88 H152 N24 O28 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0522","0.0381","","","0.0939","0.1028","","","","","","1.025","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507746","12.498","0.002","5.2071","0.001","11.411","0.002","90","","114.933","0.002","90","","673.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 N2 O10 Te2 V2 -","- C4 H14 N2 O10 Te2 V2 -","- C8 H28 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0319","0.029","","0.0716","0.0685","0.0643","","","","","","1.0104","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507747","13.13","0.005","5.165","0.005","11.338","0.005","90","","92.413","0.005","90","","768.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0938","0.0651","","0.1556","0.1334","0.1236","","","","","","1.0191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507748","10.6381","0.0017","6.3982","0.0011","11.6427","0.0019","90","","105.109","0.002","90","","765.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0208","0.0193","","0.0448","0.0441","0.0434","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507749","16.6256","0.0016","12.5308","0.0013","21.002","0.002","90","","109.391","0.006","90","","4127.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup Form 2","","","- C15 H18 N2 O -","- C15 H19 N2 O -","- C180 H228 N24 O12 -","12","6","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.1243","0.0678","","","0.1544","0.1877","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507750","26.595","0.005","7.5583","0.0013","14.652","0.003","90","","117.28","0.003","90","","2617.7","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Huperzine A","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C120 H144 N16 O8 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.0775","0.059","","","0.1544","0.1676","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507751","8.698","0.003","9.187","0.003","12.231","0.004","73.87","0.03","87.42","0.03","64.52","0.03","844.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Caffeine","","- C14 H16 N10 O4 -","- C14 H16 N10 O4 -","- C28 H32 N20 O8 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1115","0.0573","","","0.1447","0.1633","","","","","","0.897","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507752","9.645","0.003","10.609","0.003","10.925","0.003","87.125","0.005","75.546","0.004","87.003","0.004","1080.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and Isonicotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C36 H36 N28 O10 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0786","0.0511","","","0.1242","0.1412","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507753","12.4071","0.0011","6.631","0.0006","26.504","0.002","90","","92.91","0.002","90","","2177.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 cocrystal of Temozolomide and NIcotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C72 H72 N56 O20 -","4","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0929","0.0527","","","0.1246","0.1442","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507754","9.834","0.003","10.797","0.003","11.809","0.003","107.047","0.004","101.419","0.004","101.835","0.004","1127.8","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0619","0.0457","","","0.1169","0.1276","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507755","6.9091","0.0017","12.3493","0.0019","14.141","0.002","106.389","0.013","92.948","0.016","100.942","0.017","1129.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzaamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1352","0.0854","","","0.2039","0.2459","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507756","8.557","0.0011","9.2537","0.0012","10.3924","0.0014","68.398","0.002","89.951","0.002","63.129","0.002","668.77","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Pyrazinamide","","- C11 H11 N9 O3 -","- C11 H11 N9 O3 -","- C22 H22 N18 O6 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0912","0.0532","","","0.1207","0.1378","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507757","6.521","0.003","8.064","0.004","11.952","0.005","76.591","0.007","75.856","0.007","87.095","0.007","592.8","0.5","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","2:1 cocrystal of Temzolomide and Saccharin","","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","1","0.5","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0714","0.0467","","","0.1067","0.1205","","","","","","1.014","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507758","10.368","0.002","9.283","0.002","16.084","0.004","90","","101.79","0.003","90","","1515.4","0.6","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H13 Cd N3 O5 -","- C15 H13 Cd N3 O5 -","- C60 H52 Cd4 N12 O20 -","4","2","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.102","0.0718","","","0.1466","0.1636","","","","","","1.091","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507759","13.707","0.0014","22.724","0.002","21.771","0.002","90","","91.322","0.001","90","","6779.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cd4 N12 O30 -","- C60 H72 Cd4 N12 O30 -","- C240 H288 Cd16 N48 O120 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0507","0.03","","","0.0711","0.0809","","","","","","1.05","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507760","25.444","0.004","11.3655","0.0017","13.702","0.002","90","","121.25","0.001","90","","3387.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cd N3 O7.5 -","- C15 H13 Cd N3 O7.5 -","- C120 H104 Cd8 N24 O60 -","8","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0491","0.0331","","","0.0696","0.0759","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507761","24.905","0.003","9.213","0.001","16.7594","0.0018","90","","112.323","0.001","90","","3557.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H38 Cd2 N6 O16 -","- C30 H38 Cd2 N6 O16 -","- C120 H152 Cd8 N24 O64 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0235","0.0205","","","0.0511","0.0535","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507762","6.7858","0.0011","22.862","0.004","12.269","0.002","90","","91.97","0.002","90","","1902.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Cd N3 O9.5 -","- C15 H21 Cd N3 O9.5 -","- C60 H84 Cd4 N12 O38 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.037","0.0343","","","0.085","0.0859","","","","","","1.276","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507763","14.0158","0.0012","17.1001","0.0015","22.014","0.002","79.749","0.002","89.457","0.002","66.057","0.002","4733.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H154 N11 O19 P3 -","- C77 H154 N11 O19 P3 -","- C154 H308 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4–Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.068","0.0515","","","0.1478","0.159","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507764","13.9538","0.0015","17.1425","0.0018","22.245","0.002","99.483","0.002","90.133","0.003","113.454","0.002","4801.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H162 N11 O19 P3 -","- C81 H162 N11 O19 P3 -","- C162 H324 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4–Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.152","0.0876","","","0.233","0.2694","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507765","12.5433","0.0014","15.2724","0.0016","16.78","0.0018","83.775","0.002","79.502","0.002","68.296","0.002","2933.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H91 N6 O10 P2 -","- C45 H91 N6 O10 P2 -","- C90 H182 N12 O20 P4 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4–Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.1317","0.0934","","","0.2727","0.3062","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507777","8.042","0.0003","8.042","0.0003","28.3749","0.0012","90","","90","","90","","1835.11","0.12","295","2","295","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0974","0.0654","","","0.1503","0.168","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507778","5.5223","0.0004","7.7292","0.0006","20.8328","0.0016","90","","90","","90","","889.21","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0425","0.0354","","","0.0877","0.0919","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507779","12.5392","0.0003","9.2956","0.0002","20.6018","0.0004","90","","99.435","0.002","90","","2368.85","0.09","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl6 N4 O5 Sn -","- C14 H20 Cl6 N4 O5 Sn -","- C56 H80 Cl24 N16 O20 Sn4 -","4","0.5","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0245","0.0206","","","0.0529","0.0543","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507780","23.3339","0.0017","18.0256","0.0018","15.2682","0.0013","90","","120.777","0.002","90","","5517.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 N12 O18 Zn3 -","- C54 H42 N12 O18 Zn3 -","- C216 H168 N48 O72 Zn12 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0434","0.0367","","","0.104","0.1069","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507781","9.5419","0.0001","15.4566","0.0002","23.1102","0.0003","90","","104.038","0.001","90","","3306.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N6 O12 Zn3 -","- C36 H24 N6 O12 Zn3 -","- C144 H96 N24 O48 Zn12 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0667","0.0519","","","0.1474","0.1551","","","","","","1.079","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507782","9.6071","0.0015","15.995","0.003","23.486","0.005","90","","104.915","0.008","90","","3487.4","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cd3(Y1)(BTC)2]","","- C36 H24 Cd3 N6 O12 -","- C36 H24 Cd3 N6 O12 -","- C144 H96 Cd12 N24 O48 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71075","MoKα","","0.0249","0.0214","","","0.0519","0.0529","","","","","","1.081","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507783","15.604","0.002","8.665","0.001","17.69","0.002","90","","111.47","0.002","90","","2225.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H32 Cd3 N8 O16 -","- C42 H24 Cd3 N8 O16 -","- C84 H48 Cd6 N16 O32 -","2","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0454","0.0381","","","0.1169","0.1235","","","","","","1.049","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507784","21.133","0.0009","13.329","0.0006","18.366","0.0012","90","","123.662","0.001","90","","4305.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cd3 N8 O14 -","- C42 H28 Cd3 N8 O14 -","- C168 H112 Cd12 N32 O56 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71069","MoKα","","0.028","0.0258","","","0.0626","0.0636","","","","","","1.085","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507785","8.7385","0.0006","14.9729","0.0011","12.6024","0.0009","90","","102.152","0.001","90","","1612","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0732","0.0464","","","0.112","0.1251","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507786","19.489","0.003","9.2758","0.0012","14.632","0.002","90","","90.964","0.002","90","","2644.7","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O8 -","- C27 H24 N4 O8 -","- C108 H96 N16 O32 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0991","0.073","","","0.1946","0.2184","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507787","10.8373","0.0011","13.6735","0.0014","16.8579","0.0017","90","","95.282","0.001","90","","2487.5","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0504","0.039","","","0.1048","0.1123","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507788","27.693","0.002","6.5838","0.0005","16.1466","0.0012","90","","90","","90","","2943.9","0.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C136 H128 N16 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.059","0.0447","","","0.1219","0.1386","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507789","7.5391","0.0001","15.3606","0.0002","23.5185","0.0003","90","","90.72","","90","","2723.35","0.06","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 N4 O5 -","- C33 H28 N4 O5 -","- C132 H112 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","1.54178","CuKα","","0.0354","0.0345","","","0.0979","0.099","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507790","7.3667","0.0007","12.4342","0.0012","35.712","0.003","90","","93.875","0.001","90","","3263.7","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 O5 -","- C41 H32 N4 O5 -","- C164 H128 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0769","0.0559","","","0.1601","0.1803","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507791","10.642","0.002","13.927","0.003","22.032","0.004","100.2","0.03","90.27","0.03","109.39","0.03","3024.4","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C50 H82 Cl6 Cu20 I28 N8 O12 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0518","0.0451","","","0.1235","0.156","","","","","","1.063","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507792","8.471","0.0017","8.895","0.0018","12.919","0.003","107.31","0.03","91.8","0.03","96.29","0.03","921.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu2 I3 N2 O2 -","- C12 H19 Cu2 I3 N2 O2 -","- C24 H38 Cu4 I6 N4 O4 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0343","0.0322","","","0.0796","0.081","","","","","","1.067","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507793","13.4834","0.0007","16.9513","0.001","19.4949","0.0012","68.035","0.002","73.558","0.002","71.645","0.002","3852.4","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0909","0.0672","","","0.1833","0.212","","","","","","1.112","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507794","11.3584","0.0013","14.054","0.002","19.535","0.003","107.967","0.008","97.502","0.007","98.108","0.007","2886.1","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Cu4 I4 N8 O8 -","- C48 H72 Cu4 I4 N8 O8 -","- C96 H144 Cu8 I8 N16 O16 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0845","0.0488","","","0.1161","0.1653","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507795","19.275","0.003","19.275","0.003","13.123","0.003","90","","90","","120","","4222.3","1.3","123","2","123","2","","","","","","","","7","P -3","-P 3","147","","","","- C27 H32 Cu3 I4 K N4 O8 -","- C27 H32 Cu3.00667 I3.99333 K N4 O8 -","- C81 H96 Cu9.02 I11.98 K3 N12 O24 -","3","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.710698","synchrotron","","0.0813","0.0713","","","0.2373","0.2487","","","","","","1.063","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507796","10.9151","0.0002","11.4972","0.0002","13.0904","0.0003","90","","91.945","0.001","90","","1641.81","0.06","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C48 H80 Cl6.8 Cu4 I5.2 N8 O8 -","2","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0411","0.0362","","","0.1004","0.1028","","","","","","1.14","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507797","9.1665","0.0006","10.0157","0.0007","10.8275","0.0007","78.835","0.002","77.128","0.002","75.841","0.002","929.4","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0279","0.0236","","","0.0822","0.1035","","","","","","1.212","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507798","9.4964","0.0011","19.218","0.002","26.352","0.003","90","","98.503","0.006","90","","4756.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 N10 O8 -","- C52 H36 N10 O8 -","- C208 H144 N40 O32 -","4","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","MoKα","","0.1013","0.0813","","","0.2348","0.258","","","","","","1.048","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507799","9.3749","0.0006","15.3886","0.0011","17.2299","0.0011","112.269","0.007","98.944","0.005","102.439","0.006","2167.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag B F4 N8 O4 -","- C50 H30 Ag B F4 N8 O4 -","- C100 H60 Ag2 B2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","MoKα","","0.0971","0.066","","","0.172","0.1944","","","","","","1.041","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507800","9.636","0.0019","15.622","0.003","17.308","0.003","110.7","0.03","101.45","0.03","103.66","0.03","2251.5","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag F6 N8 O4 Sb -","- C50 H30 Ag F6 N8 O4 Sb -","- C100 H60 Ag2 F12 N16 O8 Sb2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0826","0.0652","","","0.1875","0.209","","","","","","1.063","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507801","28.799","0.006","30.905","0.006","15.631","0.003","90","","90","","90","","13912","5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C49 H27 Ag3 Cl3 N7 O14 -","- C48 H24 Ag3 N6 -","- C384 H192 Ag24 N48 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.1463","0.1107","","","0.3245","0.3522","","","","","","1.287","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507802","23.47","0.005","22.051","0.004","52.645","0.01","90","","90","","90","","27246","9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H108 B2 Cu2 F8 N32 O40 -","- C96 H48 B2 Cu2 F8 N12 -","- C768 H384 B16 Cu16 F64 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0867","0.0765","","","0.2232","0.2338","","","","","","1.021","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507803","23.653","0.005","23.737","0.004","51.93","0.01","90","","90","","90","","29156","10","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C110 H90 Cu2 F12 N26 O28 P2 -","- C96 H48 Cu2 N12 -","- C768 H384 Cu16 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","synchrotron","","0.1779","0.1336","","","0.3397","0.359","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507804","9.611","0.0019","14.831","0.003","16.74","0.003","74.76","0.03","75.04","0.03","81.55","0.03","2216.2","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 B Cu F4 N8 O4 -","- C50 H30 B Cu F4 N8 O4 -","- C100 H60 B2 Cu2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0802","0.0738","","","0.1854","0.1909","","","","","","1.05","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507805","9.776","0.002","15.018","0.003","16.673","0.003","74.51","0.03","76.8","0.03","78.27","0.03","2270","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F6 N8 O4 P -","- C50 H30 Cu F6 N8 O4 P -","- C100 H60 Cu2 F12 N16 O8 P2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0545","0.0499","","","0.1286","0.1325","","","","","","1.035","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507806","9.5896","0.0004","9.0386","0.0003","10.1964","0.0005","90","","110.845","0.005","90","","825.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium cocrystal of fumaric acid","S-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0411","0.0357","","","0.0904","0.0931","","","","","","0.933","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507807","9.583","0.001","9.037","0.001","10.179","0.001","90","","110.837","0.009","90","","823.86","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinium cocrystal of fumaric acid","R-pyrrolidinium-2-carboxylate(2E)-but-2-enedioate (1:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0611","0.0492","","","0.1229","0.1333","","","","","","1.053","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507808","17.2025","0.0006","9.7993","0.0003","27.6106","0.0019","90","","90","","90","","4654.4","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","DL-prolinium cocrystal of fumaric acid","RS-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C168 H264 N24 O96 -","12","3","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71075","MoKα","","0.058","0.0463","","","0.1212","0.1291","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4507809","9.8307","0.0005","7.1796","0.0003","12.8464","0.0006","90","","99.217","0.005","90","","895","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinamidium fumarate salt","2(R)-carbamoylpyrrolidinium-(2E)-3-carboxyprop-2-enoate hydrate (1:1:1)","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0453","0.0404","","","0.0998","0.103","","","","","","1.1","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507810","7.8537","0.0006","7.9722","0.0005","16.0328","0.0018","81.018","0.009","77.284","0.008","66.562","0.005","895.78","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid","","- C20 H14 Cl2 F N O3 -","- C20 H14 Cl2 F N O3 -","- C40 H28 Cl4 F2 N2 O6 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","0.71073","MoKα","","0.0743","0.0384","","","0.0764","0.0888","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507811","7.6611","0.0002","10.3298","0.0003","15.5587","0.0004","82.629","0.002","86.174","0.002","71.791","0.002","1159.49","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, N-methyl-2-pyrrolidone solvate (1:1)","","- C25 H23 Cl2 F N2 O4 -","- C25 H23 Cl2 F N2 O4 -","- C50 H46 Cl4 F2 N4 O8 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0302","0.0302","","","0.0789","0.0789","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507812","8.2693","0.0002","13.0633","0.0004","14.2559","0.0004","116.333","0.003","91.503","0.002","105.955","0.003","1307.25","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, DMSO solvate (1:2)","","- C24 H26 Cl2 F N O5 S2 -","- C24 H26 Cl2 F N O5 S2 -","- C48 H52 Cl4 F2 N2 O10 S4 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0285","0.0282","","","0.0794","0.0796","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507813","12.7841","0.0017","13.3928","0.0018","17.908","0.002","77.941","0.002","79.059","0.002","66.865","0.002","2737.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H73 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","1","0.5","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.1035","0.0761","","","0.1582","0.1699","","","","","","1.128","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507814","8.006","0.0007","10.6191","0.0009","12.5398","0.0011","83.594","0.001","75.425","0.001","88.442","0.001","1025.34","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cu N2 O9 P2 V -","- C18 H18 Cu N2 O8.54 P2 V -","- C36 H36 Cu2 N4 O17.08 P4 V2 -","2","1","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.0377","0.0339","","","0.0884","0.0916","","","","","","0.853","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507815","16.673","0.002","11.8338","0.0015","21.255","0.003","90","","99.497","0.002","90","","4136.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 B4 N4 O8 -","- C36 H56 B4 N4 O8 -","- C144 H224 B16 N16 O32 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.1414","0.1183","","","0.2335","0.2448","","","","","","1.29","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507816","7.633","0.0007","8.0995","0.0007","11.3942","0.001","90","","90","","90","","704.43","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 B N O2 -","- C7 H8 B N O2 -","- C28 H32 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0418","0.0406","","","0.1016","0.1021","","","","","","1.474","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507817","15.28","0.003","6.9985","0.0015","9.377","0.002","90","","93.884","0.004","90","","1000.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 B N O2 -","- C9 H14 B N O2 -","- C36 H56 B4 N4 O8 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0548","0.0496","","","0.1046","0.1075","","","","","","1.113","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507818","7.2516","0.0016","9.63","0.002","18.953","0.004","90","","90","","90","","1323.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 B N O4 -","- C13 H16 B N O4 -","- C52 H64 B4 N4 O16 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0427","0.0358","","","0.1014","0.106","","","","","","1.087","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507819","7.8233","0.0013","11.795","0.002","11.5767","0.0019","90","","95.779","0.003","90","","1062.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C48 H48 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0523","0.046","","","0.1046","0.1085","","","","","","1.079","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507820","15.4331","0.0016","12.9048","0.0013","15.7762","0.0016","90","","90","","90","","3142","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H24 Cu N2 O8 -","- C38 H24 Cu N2 O8 -","- C152 H96 Cu4 N8 O32 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0532","0.0349","","","0.0693","0.0751","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507821","12.426","0.008","12.012","0.008","10.386","0.007","90","","107.141","0.012","90","","1481.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Co N O4 -","- C19 H11 Co N O4 -","- C76 H44 Co4 N4 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0927","0.0556","","","0.1376","0.1678","","","","","","0.999","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507822","12.5108","0.0005","19.1026","0.0008","8.6495","0.0003","90","","100.952","0.001","90","","2029.48","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Co N6 O8 -","- C50 H34 Co N6 O8 -","- C100 H68 Co2 N12 O16 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0314","0.027","","","0.0702","0.0735","","","","","","0.995","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507823","13.4374","0.0006","16.6277","0.0007","13.6645","0.0006","90","","95.379","0.001","90","","3039.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Co N5 O6 -","- C33 H29 Co N5 O6 -","- C132 H116 Co4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.061","0.0392","","","0.1041","0.1175","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507824","10.99","0.003","16.233","0.004","18.276","0.004","90","","96.617","0.004","90","","3238.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cu N5 O6 -","- C33 H29 Cu N5 O6 -","- C132 H116 Cu4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1124","0.0783","","","0.2563","0.3027","","","","","","0.996","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507825","10.741","0.002","15.253","0.003","19.025","0.004","90","","98.161","0.004","90","","3085.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N5 Ni O6 -","- C33 H29 N5 Ni O6 -","- C132 H116 N20 Ni4 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0816","0.0508","","","0.1271","0.1473","","","","","","0.997","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507826","9.5305","0.0014","9.8936","0.0014","16.379","0.002","90","","98.188","0.002","90","","1528.6","0.4","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H25 Co N5 O4 -","- C37 H25 Co N5 O4 -","- C74 H50 Co2 N10 O8 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0581","0.0432","","","0.1093","0.1208","","","","","","1.003","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507827","9.37","0.004","12.462","0.006","16.242","0.007","102.593","0.009","95.875","0.008","105.085","0.008","1761.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Co N5 O6 -","- C37 H30 Co N5 O6 -","- C74 H60 Co2 N10 O12 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1017","0.0874","","","0.1376","0.1577","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507828","10.496","0.003","16.263","0.004","19.895","0.005","70.954","0.004","81.123","0.005","87.101","0.004","3171.6","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H58 N9 Ni2 O8 -","- C78 H58 N10 Ni2 O8 -","- C156 H116 N20 Ni4 O16 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1149","0.0684","","","0.1743","0.2029","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507829","16.337","0.003","12.91","0.002","20.112","0.004","90","","109.601","0.003","90","","3996","1.2","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H76 Cl2 Cu8 La2 N4 O63 S4 -","- C28 H56 Cl2 Cu8 La2 N4 O63 S4 -","- C56 H112 Cl4 Cu16 La4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0754","0.0724","","","0.184","0.1865","","","","","","1.084","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507830","16.055","0.003","13.127","0.003","19.94","0.004","90","","109.1","0.03","90","","3971.1","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Gd2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Gd2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Gd4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0795","0.0587","","","0.148","0.1662","","","","","","1.005","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507831","16.119","0.003","13.126","0.003","19.973","0.004","90","","109.51","0.03","90","","3983.2","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Dy2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Dy2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Dy4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0977","0.0708","","","0.1777","0.2048","","","","","","1.083","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507832","11.958","0.002","24.461","0.005","15.593","0.006","90","","127.316","0.019","90","","3627.4","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H86 Cl2 N26 Na2 O35 -","- C52 H86 Cl2 N26 Na2 O35 -","- C104 H172 Cl4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0393","0.0362","","","0.0952","0.097","","","","","","1.063","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507833","11.9767","0.0003","24.3621","0.0007","12.6637","0.0003","90","","101.163","0.003","90","","3625.08","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 Br2 N26 Na2 O35 -","- C52 H86 Br2 N26 Na2 O35 -","- C104 H172 Br4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0895","0.0767","","","0.2138","0.2226","","","","","","1.07","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507834","11.538","0.002","15.625","0.003","16.875","0.003","116.83","0.03","105.51","0.03","91.18","0.03","2580.3","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","1","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0644","0.0569","","","0.169","0.175","","","","","","1.04","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507835","19.913","0.004","16.786","0.003","15.83","0.003","90","","101.76","0.03","90","","5180.3","1.8","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C152 H228 B4 Cu8 F48 N40 P8 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0563","0.0436","","","0.0959","0.1039","","","","","","1.069","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507836","13.179","0.003","19.463","0.004","17.204","0.003","90","","103.49","0.03","90","","4291.1","1.6","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B Cu2 F6 N11 P S3 W -","- C34 H40 B Cu2 F6 N11 P S3 W -","- C136 H160 B4 Cu8 F24 N44 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.1041","0.0774","","","0.1124","0.1225","","","","","","1.171","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507837","13.682","0.003","17.344","0.003","20.525","0.004","90","","105.99","0.03","90","","4682.2","1.7","223","2","223","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C144 H188 B4 Cu8 F24 N40 O4 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0855","0.054","","","0.1207","0.1406","","","","","","0.99","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507838","18.016","0.004","11.681","0.002","29.185","0.006","90","","99.71","0.03","90","","6054","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 B Cu2 N9 S3 W -","- C23 H26 B Cu2 N9 S3 W -","- C184 H208 B8 Cu16 N72 S24 W8 -","8","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0607","0.0382","","","0.0805","0.091","","","","","","1.02","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507839","30.404","0.006","19.657","0.004","19.683","0.004","90","","127.63","0.03","90","","9316","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H83 B2 Cu6 N23 S6 W2 -","- C55 H74 B2 Cu6 N20 S6 W2 -","- C220 H296 B8 Cu24 N80 S24 W8 -","4","0.5","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0963","0.069","","","0.1718","0.1855","","","","","","1.18","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507840","18.686","0.007","17.255","0.007","18.508","0.007","90","","111.687","0.008","90","","5545","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H40 Mo6 N2 Na4 O43 P4 -","- C14 H14 Mo6 N2 Na4 O43.01 P4 -","- C56 H56 Mo24 N8 Na16 O172.04 P16 -","4","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0811","0.0585","","","0.167","0.1807","","","","","","1.047","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507841","17.799","0.003","17.815","0.003","19.653","0.003","92.461","0.003","90.371","0.002","117.609","0.002","5514.6","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H94 Mo12 N4 Na8 O90 P8 -","- C28 H28 Mo12 N4 Na8 O90 P8 -","- C56 H56 Mo24 N8 Na16 O180 P16 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0728","0.0491","","","0.1342","0.1465","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507842","10.5817","0.0008","10.3447","0.0005","15.3496","0.0011","90","","102.719","0.007","90","","1639.01","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1286","0.0791","","","0.1366","0.1561","","","","","","1.115","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507843","10.486","","12.302","","15.444","","74.81","","87.5","","89.97","","1920.7","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 N2 O5 -","- C17 H23 N2 O5 -","- C68 H92 N8 O20 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1612","0.0898","","","0.2745","0.362","","","","","","1.063","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507844","10.442","0.005","10.962","0.005","16.273","0.005","90","0.005","90","0.005","90","0.005","1862.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.2186","0.087","","","0.1423","0.1901","","","","","","1.033","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507845","7.6283","0.0002","10.8525","0.0002","12.901","0.0003","114.352","0.001","94.039","0.001","91.236","0.001","969.08","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O15 Pb3 -","- C12 H12 O15 Pb3 -","- C24 H24 O30 Pb6 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0294","0.0276","","","0.0675","0.0683","","","","","","1.135","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507846","10.253","0.002","20.192","0.004","8.337","0.002","90","","117.41","0.01","90","","1532.2","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O5 Pb -","- C16 H12 N2 O5 Pb -","- C64 H48 N8 O20 Pb4 -","4","0.5","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0286","0.0285","","","0.0722","0.0723","","","","","","1.16","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507847","19.2945","0.0016","9.0591","0.0005","7.5483","0.0004","90","","90","","90","","1319.37","0.15","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C4 H4 O4 Pb S -","- C4 H4 O4 Pb S -","- C32 H32 O32 Pb8 S8 -","8","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0311","0.0296","","","0.0667","0.0675","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507848","8.3461","0.0002","8.7744","0.0002","10.9103","0.0002","76.023","0.001","80.584","0.001","77.734","0.001","752.3","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N2 O4 Pb S -","- C16 H12 N2 O4 Pb S -","- C32 H24 N4 O8 Pb2 S2 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0163","0.0149","","","0.0339","0.0344","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507849","10.3295","0.0001","10.3295","0.0001","28.5612","0.0003","90","","90","","120","","2639.16","0.05","150","","150","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0444","0.0294","","","0.0693","0.0735","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507850","10.4183","0.0001","10.4183","0.0001","28.6329","0.0003","90","","90","","120","","2691.47","0.05","290","2","290","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0449","0.0286","","","0.0596","0.0635","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507851","20.9389","0.0004","9.4763","0.0002","14.778","0.0004","90","","122.969","0.0009","90","","2460.11","0.1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O20 U2 -","- C12 H22 N2 O20 U2 -","- C48 H88 N8 O80 U8 -","4","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl–Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.05","0.0267","","","0.0468","0.0501","","","","","","0.921","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507852","7.6069","0.0003","7.8388","0.0003","16.1897","0.0007","79.005","0.001","80.984","0.001","79.579","0.002","924.53","0.06","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 N2 O15 U -","- C8 H22 N2 O15 U -","- C16 H44 N4 O30 U2 -","2","1","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl–Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0554","0.0419","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507853","7.7272","0.0001","8.7359","0.0002","16.2612","0.0003","90","","102.384","0.0008","90","","1072.15","0.03","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O20 U2 -","- C10 H20 N2 O20 U2 -","- C20 H40 N4 O40 U4 -","2","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl–Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0335","0.0256","","","0.0618","0.0639","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507854","24.807","0.004","13.6667","0.0019","14.224","0.002","90","","100.195","0.009","90","","4746.2","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Er6 N5 O32 -","- C35 H25 Er6 N5 O32 -","- C140 H100 Er24 N20 O128 -","4","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0635","0.0426","","","0.0838","0.0908","","","","","","1.066","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507855","13.2964","0.0008","7.0927","0.0004","27.3093","0.0015","90","","90","","90","","2575.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H9 Cl Er3 N O10 -","- C7 H9 Cl Er3 N O10 -","- C56 H72 Cl8 Er24 N8 O80 -","8","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0894","0.055","","","0.1214","0.1343","","","","","","1.181","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507856","29.411","0.004","24.104","0.007","5.966","0.005","90","","100.043","0.005","90","","4165","4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C44 H32 O10 Zn3 -","- C44 H32 O10 Zn3 -","- C88 H64 O20 Zn6 -","2","0.25","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1052","0.0799","","","0.2025","0.2147","","","","","","0.917","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507857","9.728","0.004","11.672","0.005","14.554","0.005","93.466","0.005","96.367","0.005","93.175","0.005","1636.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C60 H52 N4 O8 Zn2 -","2","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0617","0.0523","","","0.1407","0.1563","","","","","","1.076","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507858","10.547","0.005","19.841","0.005","14.599","0.005","90","","102.868","0.005","90","","2978.3","1.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H21 N O4 Zn -","- C27 H21 N O4 Zn -","- C108 H84 N4 O16 Zn4 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1231","0.0884","","","0.2161","0.2492","","","","","","0.986","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507859","13.887","0.005","9.302","0.004","32.649","0.005","90","","90","","90","","4217","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N O4 Zn -","- C24 H22 N O4 Zn -","- C192 H176 N8 O32 Zn8 -","8","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0561","0.0472","","","0.1253","0.1335","","","","","","1.053","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507860","40.205","0.005","6.984","0.007","26.098","0.005","90","","118.408","0.005","90","","6446","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 O19 Pb4 -","- C70 H58 O19 Pb4 -","- C280 H232 O76 Pb16 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.029","0.0244","","","0.0582","0.0599","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507861","35.402","0.005","15.813","0.006","11.424","0.005","90","","90.361","0.005","90","","6395","4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C66 H48 O13 Pb3 -","- C66 H48 O13 Pb3 -","- C264 H192 O52 Pb12 -","4","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0306","0.03","","","0.0755","0.076","","","","","","1.088","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507862","12.287","0.008","12.916","0.008","18.199","0.012","86.733","0.008","70.443","0.008","80.146","0.008","2681","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C62 H46 Cl6 Cu6 F12 N20 O14 S4 -","2","1","","Mathivathanan, Logesh; Torres-King, Jorge; Primera-Pedrozo, José N.; García-Ricard, Omar J.; Hernández-Maldonado, Arturo J.; Santana, Juan A.; Raptis, Raphael G.","Selective CO2Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu3-Pyrazolato Complexes: An Experimental and Computational Study","Crystal Growth & Design","2013","13","6","2628","","10.1021/cg400382k","","","0.71073","MoKα","","0.2145","0.1718","","","0.4152","0.4365","","","","","","1.368","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507863","10.6341","0.0001","10.7671","0.0001","12.3771","0.0001","67.066","0.008","83.639","0.012","73.758","0.01","1253.05","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Co N4 O5 -","- C27 H24 Co N4 O5 -","- C54 H48 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0599","0.0471","","","0.1116","0.1196","","","","","","1.055","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507864","19.708","0.002","24.955","0.003","35.224","0.004","90","","90","","90","","17324","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C93 H90 N14 Ni2 O10 -","- C93 H90 N14 Ni2 O10 -","- C744 H720 N112 Ni16 O80 -","8","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.103","0.0722","","","0.1645","0.1833","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507865","8.5216","0.0006","30.4113","0.0015","11.6223","0.0009","90","","105.554","0.003","90","","2901.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 O5 Zn -","- C30 H29 N5 O5 Zn -","- C120 H116 N20 O20 Zn4 -","4","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.1276","0.0698","","","0.1642","0.1966","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507866","9.479","0.004","11.835","0.005","12.798","0.005","67.543","0.011","76.936","0.015","74.777","0.015","1267.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 Ni O5 -","- C27 H22 Cl2 N4 Ni O5 -","- C54 H44 Cl4 N8 Ni2 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0732","0.0451","","","0.0801","0.0892","","","","","","0.971","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507867","9.503","0.003","11.88","0.003","12.818","0.003","67.556","0.009","76.977","0.009","74.837","0.008","1278.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 Co N4 O5 -","- C27 H22 Cl2 Co N4 O5 -","- C54 H44 Cl4 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0598","0.0401","","","0.0739","0.0783","","","","","","0.926","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507868","5.703","0.005","10.623","0.01","29.89","0.03","90","","90","","90","","1811","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cd N6 O8 S -","- C12 H10 Cd N6 O8 S -","- C48 H40 Cd4 N24 O32 S4 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0264","0.0258","","","0.0689","0.0695","","","","","","1.143","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507869","17.211","0.002","22.975","0.003","7.2785","0.001","90","","90","","90","","2878.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H20 Cu3 N15 -","- C27 H20 Cu3 N15 -","- C108 H80 Cu12 N60 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0678","0.0416","","","0.0842","0.0969","","","","","","1.024","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507870","6.8486","0.0012","13.2","0.002","23.247","0.004","90","","90","","90","","2101.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cd N3 O5 -","- C22 H25 Cd N3 O5 -","- C88 H100 Cd4 N12 O20 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.034","0.0313","","","0.0611","0.0631","","","","","","1.093","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507871","17.687","0.003","12.908","0.002","13.411","0.002","90","","111.402","0.002","90","","2850.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co N3 O6 -","- C32 H28 Co N3 O6 -","- C128 H112 Co4 N12 O24 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1968","0.1071","","","0.3241","0.3819","","","","","","1.11","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507872","6.639","0.005","18.167","0.013","9.773","0.007","90","","96.891","0.008","90","","1170.2","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cd N6 O4 -","- C22 H26 Cd N6 O4 -","- C44 H52 Cd2 N12 O8 -","2","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0495","0.048","","","0.1162","0.1176","","","","","","1.094","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507873","10.5112","0.0015","14.073","0.002","13.283","0.002","90","","97.94","0.002","90","","1946","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 N6 O8 -","- C38 H44 Cd2 N6 O8 -","- C76 H88 Cd4 N12 O16 -","2","0.5","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1383","0.0924","","","0.1817","0.1992","","","","","","0.994","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507874","18.2679","0.0003","18.2679","0.0003","15.9522","0.0005","90","","90","","90","","5323.5","0.2","180","2","180","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H18 Cu F6 N4 O4 Si -","- C24 H18 Cu F6 N4 O4 Si -","- C96 H72 Cu4 F24 N16 O16 Si4 -","4","0.25","","Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong","Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation","Crystal Growth & Design","2013","13","6","2670","","10.1021/cg4004438","","","1.54184","CuKα","","0.0943","0.0812","","","0.2189","0.228","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507875","25.2913","0.0014","33.509","0.0016","18.681","0.0013","90","","90","","90","","15831.9","1.6","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C63 H39 Cu6 N3 O30 -","- C63 H39 Cu6 N3 O30 -","- C252 H156 Cu24 N12 O120 -","4","0.25","","Lu, Zhiyong; Du, Liting; Tang, Kuanzhen; Bai, Junfeng","High H2and CH4Adsorption Capacity of a Highly Porous (2,3,4)-Connected Metal‒Organic Framework","Crystal Growth & Design","2013","13","6","2252","","10.1021/cg400449c","","","0.71073","MoKα","","0.0609","0.0485","","","0.119","0.1205","","","","","","1.008","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507876","20.447","0.004","9.0676","0.0015","14.438","0.003","90","","99.704","0.013","90","","2638.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H27 Cl4 K O10 -","- C16 H27 Cl4.01 K O10 -","- C64 H108 Cl16.04 K4 O40 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.0784","0.0467","","","0.1247","0.14","","","","","","0.983","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507877","28.521","0.015","17.446","0.007","22.87","0.011","90","","118.084","0.007","90","","10040","8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H108 Cl16 K4 O40 -","- C64 H108 Cl16 K4 O40 -","- C256 H432 Cl64 K16 O160 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.1275","0.089","","","0.2748","0.3172","","","","","","1.091","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507885","10.4949","0.003","10.8924","0.0028","16.581","0.004","90","","90","","90","","1895.5","0.9","295","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O5 -","- C18 H28 N2 O5 -","- C72 H112 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","powder diffraction","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507887","4.7301","0.0001","9.5656","0.0002","14.3224","0.0004","90","","98.6768","0.001","90","","640.62","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0458","0.0384","","","0.0953","0.0995","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507888","4.7396","0.0001","9.5921","0.0002","14.3534","0.0004","90","","98.4903","0.0011","90","","645.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0542","0.0407","","","0.0988","0.1056","","","","","","1.061","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507889","4.7492","0.0001","9.621","0.0003","14.3919","0.0005","90","","98.2103","0.0011","90","","650.86","0.03","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0511","0.0405","","","0.1004","0.1061","","","","","","1.068","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507890","4.7701","0.0002","9.6744","0.0004","14.4676","0.0007","90","","97.6626","0.0014","90","","661.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0586","0.0414","","","0.0988","0.1082","","","","","","1.046","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507891","10.7404","0.0006","5.7942","0.0003","11.8545","0.0007","90","","98.198","0.002","90","","730.19","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","0.5","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0833","0.0482","","","0.1165","0.1343","","","","","","1.033","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507892","7.6206","0.0004","10.3117","0.0005","12.7045","0.0006","105.223","0.003","103.786","0.002","105.348","0.002","876.66","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0637","0.0446","","","0.1116","0.1242","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507893","7.626","0.0004","10.3519","0.0005","12.7515","0.0007","105.607","0.003","103.541","0.002","105.414","0.002","882.57","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0723","0.0465","","","0.115","0.1309","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507894","7.6347","0.0004","10.3966","0.0006","12.8041","0.0008","106.014","0.003","103.294","0.002","105.487","0.003","889.41","0.09","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0799","0.0484","","","0.1166","0.1356","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507895","7.6518","0.0004","10.4725","0.0006","12.9054","0.0008","106.787","0.003","102.854","0.002","105.731","0.003","900.81","0.09","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0855","0.0501","","","0.1148","0.1363","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507896","7.6609","0.0007","10.494","0.001","13.015","0.0015","110.783","0.003","98.717","0.003","105.803","0.004","904.73","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0858","0.0524","","","0.123","0.1477","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507897","7.6773","0.0002","9.8885","0.0002","12.6815","0.0004","101.432","0.001","97.4697","0.001","103.562","0.0011","901.46","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0576","0.0436","","","0.1187","0.1306","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507898","7.6863","0.0002","9.9399","0.0003","12.7007","0.0004","101.276","0.0012","97.5236","0.0011","103.585","0.0012","908.93","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0653","0.0469","","","0.1254","0.14","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507899","7.694","0.0002","9.9957","0.0003","12.7215","0.0004","101.109","0.0011","97.6114","0.001","103.613","0.0013","916.71","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0726","0.0488","","","0.1284","0.1468","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507900","7.7042","0.0002","10.1234","0.0002","12.7638","0.0004","100.735","0.001","97.817","0.001","103.649","0.001","933.4","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0849","0.0524","","","0.1253","0.15","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507901","7.6982","0.0002","9.8709","0.0002","12.5206","0.0003","100.783","0.001","96.712","0.001","104.231","0.001","892.59","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0631","0.0405","","","0.0984","0.1091","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507902","7.7418","0.0003","10.1126","0.0003","12.6336","0.0005","100.544","0.0015","97.1909","0.0016","104.797","0.0013","924.63","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0724","0.0433","","","0.1015","0.1195","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507903","17.5156","0.0003","8.0097","0.0001","18.5347","0.0004","90","","112.379","0.0008","90","","2404.48","0.07","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0627","0.0457","","","0.1167","0.1274","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507904","17.7643","0.0004","8.0282","0.0002","18.5926","0.0007","90","","111.596","0.001","90","","2465.45","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N–H···O/O–H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ← πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0817","0.0474","","","0.1091","0.1311","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507905","11.901","0.0006","11.9734","0.0005","20.6426","0.001","89.483","0.004","74.703","0.004","67.446","0.004","2606.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","1","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0406","0.0335","","","0.0824","0.0857","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507906","9.146","0.005","17.611","0.009","13.737","0.005","90","","123","0.02","90","","1855.7","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu I N2 O5 -","- C20 H13 Cu I N2 O5 -","- C80 H52 Cu4 I4 N8 O20 -","4","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0372","0.0329","","","0.0831","0.0849","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507907","9.6861","0.0014","10.239","0.0012","11.6714","0.0016","72.355","0.011","76.57","0.012","74.039","0.011","1046.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cu I N2 O6 -","- C20 H19 Cu I N2 O6 -","- C40 H38 Cu2 I2 N4 O12 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0932","0.0671","","","0.1589","0.1746","","","","","","1.06","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507908","9.4993","0.0018","9.9848","0.0018","13.335","0.002","79.008","0.015","78.226","0.015","62.978","0.018","1096","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cu I N4 O4 -","- C22 H17 Cu I N4 O4 -","- C44 H34 Cu2 I2 N8 O8 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.1069","0.0758","","","0.1859","0.2008","","","","","","1.034","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507909","12.7032","0.0004","22.416","0.0007","14.2465","0.0006","90","","110.593","0.004","90","","3797.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu I N4 O4 -","- C18 H17 Cu I N4 O4 -","- C144 H136 Cu8 I8 N32 O32 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0443","0.0323","","","0.0724","0.0771","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507910","14.4783","0.0004","17.1227","0.0005","12.352","0.0003","90","","100.97","0.001","90","","3006.2","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cu4 I4 N8 O17 -","- C52 H42 Cu4 I4 N8 O17 -","- C104 H84 Cu8 I8 N16 O34 -","2","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0656","0.0445","","","0.1134","0.1219","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507911","20.136","0.0015","17.888","0.0015","12.2967","0.0014","90","","90","","90","","4429.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H19 Cu I N2 O5 -","- C21 H19 Cu I N2 O5 -","- C168 H152 Cu8 I8 N16 O40 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0575","0.0416","","","0.0943","0.102","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507912","9.4465","0.0019","9.83","0.002","11.903","0.002","70.18","0.03","71.73","0.03","67.28","0.03","937.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Ce N O13 -","- C12 H20 Ce N O13 -","- C24 H40 Ce2 N2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0291","0.027","","","0.0658","0.0719","","","","","","1.086","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507913","9.3836","0.0019","9.834","0.002","11.888","0.002","70.02","0.03","71.86","0.03","67.37","0.03","930.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N Nd O13 -","- C12 H20 N Nd O13 -","- C24 H40 N2 Nd2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0301","0.0268","","","0.0658","0.0672","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507914","9.3134","0.0019","9.778","0.002","11.839","0.002","70.28","0.03","72.01","0.03","67.68","0.03","918.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N O13 Sm -","- C12 H20 N O13 Sm -","- C24 H40 N2 O26 Sm2 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0267","0.0245","","","0.0585","0.0594","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507915","29.709","0.011","8.793","0.005","14.599","0.007","90","","111.261","0.015","90","","3554","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Eu2 N2 O26 -","- C24 H44 Eu2 N2 O26 -","- C96 H176 Eu8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.028","0.0216","","","0.0437","0.0453","","","","","","1.121","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507916","29.7113","0.0008","8.7956","0.0002","14.6009","0.0004","90","","111.409","0.003","90","","3552.35","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Gd2 N2 O26 -","- C24 H44 Gd2 N2 O26 -","- C96 H176 Gd8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0411","0.0259","","","0.0465","0.0539","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507917","29.689","0.006","8.7752","0.0018","14.576","0.003","90","","111.42","0.03","90","","3535.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N2 O26 Tb2 -","- C24 H44 N2 O26 Tb2 -","- C96 H176 N8 O104 Tb8 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0215","0.0183","","","0.0413","0.0423","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507918","29.692","0.006","8.7398","0.0017","14.523","0.003","90","","111.64","0.03","90","","3503.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Er2 N2 O26 -","- C24 H44 Er2 N2 O26 -","- C96 H176 Er8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0333","0.0227","","","0.0427","0.0455","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507919","29.373","0.0014","8.7102","0.0003","14.6315","0.0008","90","","113.921","0.006","90","","3421.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Lu2 N2 O24 -","- C24 H40 Lu2 N2 O24 -","- C96 H160 Lu8 N8 O96 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.036","0.0286","","","0.0575","0.0613","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507920","8.5905","0.0004","15.3257","0.0007","25.5881","0.0011","90","","90","","90","","3368.8","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Co N7 O6 -","- C35 H35 Co N7 O6 -","- C140 H140 Co4 N28 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0397","0.0365","","","0.0999","0.1021","","","","","","1.063","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507921","8.5961","0.0011","15.1874","0.0018","25.425","0.003","90","","90","","90","","3319.3","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N7 Ni O6 -","- C35 H35 N7 Ni O6 -","- C140 H140 N28 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0678","0.0629","","","0.1572","0.1609","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507922","27.153","0.002","15.103","0.002","9.0264","0.0014","90","","107.047","0.002","90","","3539","0.8","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 Co N8 O6 -","- C32 H31 Co N8 O6 -","- C128 H124 Co4 N32 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0773","0.062","","","0.1292","0.1333","","","","","","1.084","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507923","27.488","0.003","14.9399","0.0016","9.0717","0.001","90","","107.373","0.002","90","","3555.5","0.7","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 N8 Ni O6 -","- C32 H31 N8 Ni O6 -","- C128 H124 N32 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0689","0.0588","","","0.1225","0.1248","","","","","","1.093","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507924","21.453","0.002","16.3701","0.0016","10.3056","0.001","90","","90","","90","","3619.2","0.6","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H33 N7 O11 Zn2 -","- C36 H33 N7 O11 Zn2 -","- C144 H132 N28 O44 Zn8 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0474","0.0431","","","0.1027","0.1039","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507925","12.071","0.003","13.885","0.005","17.666","0.007","90","","90","","90","","2960.9","1.7","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Co N5 O5 -","- C30 H35 Co N5 O5 -","- C120 H140 Co4 N20 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71069","MoKα","","0.08","0.0554","","","0.1456","0.1586","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507926","12.1844","0.0005","12.9184","0.0005","18.8908","0.0007","90","","90","","90","","2973.5","0.2","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N5 Ni O5 -","- C30 H35 N5 Ni O5 -","- C120 H140 N20 Ni4 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0591","0.0499","","","0.1376","0.1448","","","","","","1.023","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507927","7.4795","0.0006","11.4662","0.0009","23.901","0.002","90","","98.773","0.002","90","","2025.8","0.3","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cu N3 O4 -","- C22 H23 Cu N3 O4 -","- C88 H92 Cu4 N12 O16 -","4","2","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.149","0.0695","","","0.1054","0.1356","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507928","10.0633","0.0005","13.4316","0.0007","15.0358","0.0007","90","","94.9244","0.0009","90","","2024.83","0.17","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 N6 O8 Zn2 -","- C44 H46 N6 O8 Zn2 -","- C88 H92 N12 O16 Zn4 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0612","0.0445","","","0.0968","0.1053","","","","","","1.032","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507929","10.2397","0.0005","13.565","0.0007","15.0505","0.0008","90","","93.384","0.001","90","","2086.89","0.19","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 Cd2 N6 O8 -","- C44 H46 Cd2 N6 O8 -","- C88 H92 Cd4 N12 O16 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0505","0.0352","","","0.0686","0.0757","","","","","","1.01","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507930","13.4863","0.0018","15.176","0.002","20.111","0.003","84.901","0.01","76.434","0.009","64.154","0.009","3600.6","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H72 Cl6 Cu6 Gd2 N6 O66 -","- C15 H27 Cu6 Gd2 N6 O32 -","- C30 H54 Cu12 Gd4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0808","0.0558","","","0.137","0.1468","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507931","13.4763","0.0008","15.1853","0.001","20.1435","0.0013","84.725","0.004","76.5","0.004","64.039","0.004","3603.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 N6 O71 Tb2 -","- C15 H27 Cu6 N6 O32 Tb2 -","- C30 H54 Cu12 N12 O64 Tb4 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0541","0.0413","","","0.1017","0.1063","","","","","","0.918","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507932","13.4553","0.0005","15.1834","0.0005","20.134","0.0007","84.834","0.002","76.451","0.002","64.08","0.002","3596.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 Dy2 N6 O71 -","- C15 H27 Cu6 Dy2 N6 O32 -","- C30 H54 Cu12 Dy4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0415","0.0355","","","0.0944","0.0966","","","","","","1.041","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507933","38.074","0.01","38.074","0.01","24.316","0.013","90","","90","","120","","30527","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H84 Cl6 Cu6 Gd2 N6 O72 -","- C15 H27 Cu6 Gd2 N6 O33 -","- C270 H486 Cu108 Gd36 N108 O594 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0993","0.0593","","","0.1405","0.1482","","","","","","0.984","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507934","38.002","0.005","38.002","0.005","24.348","0.006","90","","90","","120","","30451","9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H80 Cl6 Cu6 N6 O70 Tb2 -","- C15 H27 Cu6 N6 O33 Tb2 -","- C270 H486 Cu108 N108 O594 Tb36 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0756","0.0468","","","0.1058","0.1131","","","","","","0.975","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507935","20.983","0.0005","21.9555","0.0005","25.6798","0.0005","75.639","0.001","74.559","0.001","72.725","0.001","10704","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H280 Cl10 Cu24 Gd6 N12 O198 -","- C44 H76 Cu24 Gd6 N12 O94 -","- C88 H152 Cu48 Gd12 N24 O188 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0744","0.047","","","0.1139","0.1222","","","","","","0.923","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507936","4.5176","0.00021","9.0468","0.0009","50.241","0.006","110.974","0.012","82.273","0.012","100.754","0.006","1878.5","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","β 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C80 H156 O8 -","2","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.20992","","8.14","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507937","5.05088","0.00025","14.7935","0.0006","51.933","0.006","90","","92.465","0.015","90","","3876.9","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","β' 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C160 H312 O16 -","4","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10927","","3.14","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507938","5.073","0.004","8.309","0.007","26.37","0.02","90","","90","","90","","1111.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0611","0.0406","","","0.0917","0.1042","","","","","","1.021","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507939","5.0837","0.0007","8.2864","0.0012","25.802","0.004","90","","90","","90","","1086.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0377","0.0349","","","0.0858","0.0879","","","","","","1.096","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507940","18.024","0.006","4.9974","0.0017","19.569","0.007","90","","104.622","0.005","90","","1705.6","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0897","0.0436","","","0.0988","0.1099","","","","","","1.021","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507941","17.44","0.005","5.0094","0.0013","19.515","0.005","90","","105.986","0.005","90","","1639","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0788","0.0478","","","0.1047","0.1197","","","","","","1.025","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507942","38.5979","0.0004","4.97425","0.00005","23.1869","0.0003","90","","99.7718","0.0009","90","","4387.19","0.09","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","Ac-Phe-NH2","N-acetyl-L-phenylalanyl-NH2","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","4","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","powder diffraction","x-ray","0.69968","synchrotron","","","","","","","","","","1.35","","","","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507943","11.2615","0.0006","11.9601","0.0006","14.7931","0.0006","78.121","0.004","84.854","0.004","88.142","0.004","1941.74","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","1","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0816","0.0526","","","0.0927","0.1051","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507944","15.919","0.003","16.025","0.003","27.627","0.008","90","","123.2","0.02","90","","5897","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H90 Cu4 N24 O45 Si W12 -","- C96 H80 Cu4 N24 O40 Si W12 -","- C192 H160 Cu8 N48 O80 Si2 W24 -","2","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.1166","0.0725","","","0.1215","0.1368","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507945","21.6328","0.0009","21.6328","0.0009","21.6328","0.0009","90","","90","","90","","10123.7","0.7","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H72 B Cu3 N18 O45 W12 -","- C72 H60 B Cu3 N18 O40 W12 -","- C288 H240 B4 Cu12 N72 O160 W48 -","4","0.333333","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0565","0.0415","","","0.0795","0.0844","","","","","","0.953","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507946","12.144","0.005","12.144","0.005","6.824","0.006","90","","90","","90","","1006.4","1.1","296","2","296","2","","","","","","","","6","P 42 n m","P 4n -2n","102","","","","- Al2 B8 Ba4 Br3 Na O18 -","- Al2 B8 Ba4 Br3 Na O18 -","- Al4 B16 Ba8 Br6 Na2 O36 -","2","0.25","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0328","0.0316","","","0.0986","0.0998","","","","","","1.137","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507947","6.7397","0.0017","11.422","0.003","11.448","0.003","90","","91.906","0.003","90","","880.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- B10 Ba4 Cl F2 Na O18 -","- B10 Ba4 Cl F2 Na O18 -","- B20 Ba8 Cl2 F4 Na2 O36 -","2","0.5","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0318","0.0258","","","0.0547","0.0574","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507948","10.9619","0.0011","16.0098","0.0014","23.383","0.004","90","","90","","90","","4103.7","0.9","100","2","100","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C61 H33 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1584","0.1208","","","0.3308","0.3582","","","","","","1.173","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507949","11.4439","0.0007","15.758","0.0009","23.466","0.002","90","","90","","90","","4231.7","0.5","225","2","225.01","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1159","0.0958","","","0.2657","0.2801","","","","","","1.011","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507950","8.1957","0.0002","14.9197","0.0003","16.1595","0.0003","90","","104.386","0.002","90","","1913.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0451","0.037","","","0.0988","0.1062","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507951","5.1527","0.0003","19.4205","0.0011","21.9733","0.001","90","","90","","90","","2198.8","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O6 -","- C24 H23 N3 O6 -","- C96 H92 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0446","0.0368","","","0.0955","0.1014","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507952","5.4481","0.0005","21.0571","0.0012","17.8991","0.0013","90","","94.142","0.007","90","","2048","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.088","0.0614","","","0.155","0.1822","","","","","","1.014","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507953","7.1939","0.0004","11.1238","0.0007","14.8985","0.001","73.134","0.006","89.524","0.005","71.422","0.006","1076.83","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N Na O11 -","- C18 H28 N Na O11 -","- C36 H56 N2 Na2 O22 -","2","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0532","0.0377","","","0.0859","0.0951","","","","","","1.03","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507954","37.146","0.002","16.6971","0.0011","28.4","0.003","90","","123.883","0.001","90","","14623","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ce6 H115 Mo29 N3 Na2 O158 -","- Ce6 Mo29 N3 Na2 O158 -","- Ce24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0464","0.0415","","","0.1064","0.1084","","","","","","1.094","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507955","37.099","0.007","16.71","0.003","28.416","0.009","90","","123.894","0.002","90","","14622","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Pr6 -","- Mo29 N3 Na2 O158 Pr6 -","- Mo116 N12 Na8 O632 Pr24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0508","0.0372","","","0.0975","0.103","","","","","","1.067","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507956","36.7875","0.0011","16.6158","0.0005","28.2367","0.0008","90","","123.85","","90","","14334.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Sm6 -","- Mo29 N3 Na2 O158 Sm6 -","- Mo116 N12 Na8 O632 Sm24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0418","0.0329","","","0.0861","0.0899","","","","","","1.047","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507957","36.688","0.007","16.579","0.004","28.202","0.006","90","","123.874","0.003","90","","14242","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Eu6 H115 Mo29 N3 Na2 O158 -","- Eu6 Mo29 N3 Na2 O158 -","- Eu24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0368","0.031","","","0.0821","0.0848","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507958","36.921","0.005","16.631","0.002","28.287","0.004","90","","123.872","0.002","90","","14421","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H117 Mo29 N3 Na2 Nd6 O159 -","- Mo29 N3 Na2 Nd6 O159 -","- Mo116 N12 Na8 Nd24 O636 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0824","0.0792","","","0.223","0.2244","","","","","","1.069","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507959","17.4348","0.0012","19.4409","0.0014","44.422","0.003","90","","95.529","0.001","90","","14986.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H88 La5 Mo29 N3 Na4 O146 -","- La5 Mo29 N3 Na4 O146 -","- La20 Mo116 N12 Na16 O584 -","4","1","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0585","0.0473","","","0.1265","0.1315","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507960","7.1939","0.0006","13.559","0.0012","20.6036","0.0018","90","","90","","90","","2009.7","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O8 -","- C22 H16 Cu N4 O8 -","- C88 H64 Cu4 N16 O32 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0392","0.0315","","","0.0622","0.0646","","","","","","1.002","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507961","8.6606","0.0011","19.381","0.002","16.032","0.002","90","","96.955","0.002","90","","2671.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu N4 O10 -","- C25 H25 Cu N4 O10 -","- C100 H100 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.103","0.0569","","","0.1365","0.1584","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507962","10.9568","0.0007","17.7717","0.0012","22.2155","0.0015","90","","90","","90","","4325.8","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H50 Cu3 N4 O23 -","- C38 H46 Cu3 N4 O23 -","- C152 H184 Cu12 N16 O92 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0555","0.0477","","","0.1207","0.124","","","","","","1.237","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507963","15.455","0.005","15.314","0.005","18.078","0.008","90","","91.39","0.008","90","","4277","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N4 O7 -","- C22 H20 Cu N4 O7 -","- C176 H160 Cu8 N32 O56 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1248","0.1121","","","0.2918","0.2975","","","","","","1.073","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507964","6.8317","0.0006","21.0819","0.0018","15.1676","0.0014","90","","92.992","0.001","90","","2181.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu N4 O6 -","- C24 H22 Cu N4 O6 -","- C96 H88 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0281","0.0248","","","0.0668","0.068","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507965","6.9266","0.0006","13.3091","0.0011","15.0058","0.0013","90","","95.106","0.002","90","","1377.8","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C56 H64 Cu2 N8 O14 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0586","0.0444","","","0.1253","0.1341","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507966","12.2612","0.0006","16.8753","0.0008","18.5387","0.0009","90","","90","","90","","3835.9","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H38 Cu2 N4 O17 -","- C31 H38 Cu2 N4 O17 -","- C124 H152 Cu8 N16 O68 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0567","0.0425","","","0.131","0.1432","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507967","18.41","0.0009","16.2894","0.0008","15.8517","0.0007","90","","108.908","0.001","90","","4497.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cu N4 O9 -","- C21 H22 Cu N4 O9 -","- C168 H176 Cu8 N32 O72 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0639","0.0419","","","0.1074","0.1182","","","","","","1.014","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507968","8.259","0.003","8.707","0.003","19.798","0.007","92.2","0.006","91.716","0.006","106.706","0.006","1361.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cu N4 O10 -","- C25 H32 Cu N4 O10 -","- C50 H64 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1343","0.0717","","","0.1699","0.2032","","","","","","1.02","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507969","9.5201","0.0004","10.1789","0.0007","17.615","0.001","81.152","0.005","89.833","0.004","67.143","0.006","1551.18","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","1","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0691","0.0534","","","0.1488","0.1582","","","","","","1.04","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507970","8.956","0.0014","12.184","0.0019","14.2625","0.0016","90","","127.328","0.006","90","","1237.6","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 Cu N4 O9 -","- C28 H17 Cu N4 O9 -","- C56 H34 Cu2 N8 O18 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1219","0.0918","","","0.2518","0.2778","","","","","","1.064","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507971","11.0527","0.0009","11.6626","0.001","13.6265","0.0012","84.478","0.001","69.575","0.002","71.527","0.001","1561","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cu N4 O10 -","- C30 H36 Cu N4 O10 -","- C60 H72 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0663","0.051","","","0.1386","0.1503","","","","","","1.033","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507972","11.132","0.0005","14.3355","0.0007","11.5297","0.0006","90","","91.768","0.001","90","","1839.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu N2 O6 -","- C21 H19 Cu N2 O6 -","- C84 H76 Cu4 N8 O24 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0289","0.0256","","","0.0701","0.0714","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507973","6.791","0.006","13.527","0.004","12.4615","0.0017","90","","98.507","0.014","90","","1132.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0387","0.0352","","","0.0902","0.093","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507974","13.1886","0.0002","10.279","0.0001","8.3635","0.0001","90","","97.17","0.0001","90","","1124.94","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0749","0.0584","","","0.1533","0.1629","","","","","","1.148","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507975","7.9887","0.0004","27.0768","0.0019","7.0718","0.0005","90","","94.729","0.005","90","","1524.48","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0498","0.0404","","","0.1007","0.107","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507976","9.2567","0.0001","18.5024","0.0002","9.7785","0.0001","90","","113.671","0.0001","90","","1533.87","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0604","0.0491","","","0.127","0.1359","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507977","14.6336","0.0002","7.2215","0.0001","19.5363","0.0002","90","","105.275","0.0001","90","","1991.59","0.04","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline)","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","0.5","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0446","0.0392","","","0.1011","0.1053","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507978","7.2248","0.0001","16.2084","0.0002","7.566","0.0001","90","","94.468","0.0001","90","","883.3","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-chloroethyl)-2-nitroaniline","","- C8 H9 Cl N2 O2 -","- C8 H9 Cl N2 O2 -","- C32 H36 Cl4 N8 O8 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0464","0.0415","","","0.108","0.1124","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507979","11.9007","0.0001","16.0041","0.0002","7.3763","0.0001","90","","94.387","0.0001","90","","1400.77","0.03","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl (2-((4-nitrophenyl)amino)ethyl) carbonate","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0673","0.0572","","","0.1522","0.1614","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507980","43.719","0.006","43.719","0.006","8.5159","0.0017","90","","90","","90","","16277","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C31 H25 N4 O6 Zn2 -","- C31 H25 N4 O6 Zn2 -","- C496 H400 N64 O96 Zn32 -","16","1","","Li, Ting; Wang, Feng-Lan; Wu, Shu-Ting; Huang, Xi-He; Chen, Shu-Mei; Huang, Chang-Cang","A Highly Chemical and Thermal Stable Porous Metal‒Organic Framework with Unusual 5-ConnectedzfyTopology","Crystal Growth & Design","2013","13","8","3271","","10.1021/cg400587j","","","0.71073","MoKα","","0.1226","0.0613","","","0.1019","0.1269","","","","","","1.054","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507981","8.3066","0.0015","8.3066","0.0015","25.829","0.005","90","","90","","90","","1782.2","0.6","293","2","293","2","","","","","","","synthesis as described","3","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0429","0.0408","","","0.1138","0.1163","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507982","8.299","0.002","8.299","0.002","25.826","0.006","90","","90","","90","","1778.7","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0426","0.0411","","","0.1149","0.1166","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507983","12.1738","0.0005","12.1738","0.0005","51.834","0.003","90","","90","","120","","6652.7","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C44 H62 N4 O6 -","- C44 H62 N4 O6 -","- C264 H372 N24 O36 -","6","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0939","0.0904","","","0.2157","0.2217","","","","","","0.977","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507984","9.961","0.003","10.587","0.003","13.73","0.004","90","","90.839","0.015","90","","1447.8","0.7","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag2 B2 F8 N10 -","- C24 H22 Ag2 B2 F8 N10 -","- C48 H44 Ag4 B4 F16 N20 -","2","0.5","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0905","0.0412","","","0.0909","0.1135","","","","","","0.939","","","","has coordinates,has disorder","301842","2025-08-21","00:37:19",""
"4507985","13.4083","0.0009","14.0861","0.001","14.0815","0.0008","90","","116.311","0.005","90","","2384.1","0.3","260","2","260","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H23 Ag B F4 N5 O0.5 -","- C18 H23 Ag B F4 N5 O0.5 -","- C72 H92 Ag4 B4 F16 N20 O2 -","4","2","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.141","0.0876","","","0.2084","0.2508","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507986","17.317","0.016","13.148","0.012","9.133","0.009","90","","90","","90","","2079","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H19 Ag B F4 N5 -","- C16 H19 Ag B F4 N5 -","- C64 H76 Ag4 B4 F16 N20 -","4","1","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0777","0.0663","","","0.1756","0.1842","","","","","","1.058","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507987","5.317","0.0015","5.9435","0.0012","5.3988","0.0014","90","","116.21","0.03","90","","153.07","0.08","156","2","156","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0581","0.0559","","","0.144","0.1489","","","","","","1.109","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507988","5.3369","0.0009","5.957","0.0006","5.4144","0.0009","90","","116.18","0.02","90","","154.48","0.05","192","2","192","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.032","0.0303","","","0.0802","0.0811","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507989","5.3333","0.0012","5.9723","0.0008","5.4187","0.0011","90","","115.99","0.03","90","","155.14","0.06","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0328","0.032","","","0.0859","0.0876","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507990","5.3385","0.0015","5.9978","0.0014","5.4376","0.0015","90","","116.12","0.03","90","","156.33","0.08","264","2","264","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0426","0.04","","","0.1048","0.1093","","","","","","1.146","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507991","5.3266","0.0013","6.0126","0.001","5.4456","0.0013","90","","115.8","0.03","90","","157.02","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0358","0.0342","","","0.0859","0.0889","","","","","","1.119","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507992","5.1539","0.0004","5.324","0.0004","8.1688","0.0007","108.04","0.007","101.306","0.007","95.29","0.006","206.16","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C3-120-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0338","0.0314","","","0.0802","0.0822","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507993","5.1579","0.0015","5.3225","0.0013","8.195","0.002","108.09","0.02","101.24","0.02","95.26","0.02","206.94","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","C3-140-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0349","0.0322","","","0.0813","0.0839","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507994","5.1592","0.0005","5.3308","0.0004","8.2401","0.0007","108.181","0.007","101.107","0.007","95.225","0.007","208.48","0.03","180","2","180","2","","","","","","","","3","P -1","-P 1","2","C3-180-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0387","0.0343","","","0.0911","0.0954","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507995","5.1578","0.0004","5.3301","0.0005","8.292","0.0007","108.262","0.008","100.971","0.007","95.138","0.007","209.78","0.03","220","2","220","2","","","","","","","","3","P -1","-P 1","2","C3-220-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0392","0.0348","","","0.0885","0.0926","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507996","5.155","0.0005","5.335","0.0005","8.3448","0.0008","108.4","0.008","100.78","0.008","95.059","0.007","211.24","0.04","260","2","260","2","","","","","","","","3","P -1","-P 1","2","C3-260-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0439","0.0374","","","0.0948","0.1019","","","","","","1.074","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507997","5.1582","0.0006","5.34","0.0006","8.4024","0.0009","108.486","0.01","100.712","0.01","94.95","0.009","213.04","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","C3-298-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0474","0.0411","","","0.1007","0.1075","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507998","5.4662","0.0003","8.768","0.0006","5.0205","0.0003","90","","93.043","0.006","90","","240.28","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0378","0.036","","","0.0949","0.0961","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507999","5.4768","0.0005","8.7831","0.0007","5.0287","0.0004","90","","92.862","0.007","90","","241.6","0.04","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0358","0.0335","","","0.0932","0.0952","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508000","5.4793","0.0004","8.794","0.0007","5.0442","0.0003","90","","92.502","0.007","90","","242.82","0.03","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0376","0.0337","","","0.0868","0.0912","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508001","5.4866","0.0004","8.8113","0.0005","5.0564","0.0004","90","","92.25","0.006","90","","244.26","0.03","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0406","0.0365","","","0.0958","0.0989","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508002","5.5072","0.0006","8.8432","0.001","5.075","0.0004","90","","91.878","0.008","90","","247.03","0.04","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0443","0.0397","","","0.1031","0.1074","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508003","5.5198","0.0005","8.8763","0.0008","5.0993","0.0004","90","","91.508","0.008","90","","249.76","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0478","0.0417","","","0.1147","0.1206","","","","","","1.121","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508004","12.961","0.002","4.7227","0.0008","9.6498","0.0018","90","","98.41","0.018","90","","584.32","0.17","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-120-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0771","0.0735","","","0.2032","0.2119","","","","","","1.144","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508005","12.939","0.002","4.7343","0.0006","9.6827","0.0013","90","","98.244","0.013","90","","587","0.14","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-140-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0759","0.072","","","0.2024","0.2119","","","","","","1.181","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508006","12.978","0.004","4.756","0.0009","9.7382","0.0019","90","","97.85","0.02","90","","595.4","0.2","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-180-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0754","0.0709","","","0.1949","0.2058","","","","","","1.173","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508007","12.915","0.002","4.7781","0.0012","9.7968","0.0018","90","","97.468","0.014","90","","599.4","0.2","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-220-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0765","0.0715","","","0.191","0.1963","","","","","","1.118","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508008","12.9084","0.0017","4.8009","0.0011","9.8512","0.0014","90","","97.242","0.012","90","","605.63","0.18","260","2","260","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-260-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0751","0.0693","","","0.1901","0.1965","","","","","","1.128","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508009","12.89","0.003","4.8194","0.0017","9.917","0.003","90","","96.67","0.02","90","","611.9","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-298-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0796","0.0707","","","0.206","0.2153","","","","","","1.161","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508010","7.1786","0.0012","5.1373","0.0007","9.989","0.003","90","","110.829","0.017","90","","344.31","0.13","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-140-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0745","0.0708","","","0.2083","0.2105","","","","","","1.175","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508011","7.2316","0.0014","5.1523","0.0008","10.033","0.003","90","","111.12","0.02","90","","348.71","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-180-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0744","0.0672","","","0.2165","0.2214","","","","","","1.239","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508012","7.2613","0.0014","5.1409","0.0009","10.05","0.003","90","","111.554","0.018","90","","348.93","0.14","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-220-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0686","0.06","","","0.1787","0.1844","","","","","","1.253","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508013","7.3313","0.0011","5.1522","0.0006","10.104","0.002","90","","111.937","0.015","90","","354.02","0.1","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-260-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0628","0.0516","","","0.1419","0.1498","","","","","","1.134","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508014","7.3738","0.0017","5.152","0.0009","10.151","0.003","90","","112.42","0.02","90","","356.49","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-298-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0647","0.0497","","","0.135","0.1509","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508015","5.5422","0.0002","9.5516","0.0005","16.0334","0.0006","90","","109.573","0.003","90","","799.71","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0453","0.0372","","","0.0938","0.0996","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508016","5.5593","0.0004","9.5787","0.0005","16.0203","0.0009","90","","109.33","0.005","90","","805","0.09","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0504","0.0388","","","0.1031","0.1095","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508017","5.5782","0.0004","9.5993","0.0006","16.0146","0.001","90","","109.001","0.006","90","","810.81","0.1","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0564","0.0415","","","0.1091","0.1179","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508018","5.5944","0.0003","9.6053","0.0006","16.0036","0.0008","90","","108.796","0.005","90","","814.11","0.08","252","2","252","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0607","0.0446","","","0.118","0.128","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508019","5.6139","0.0004","9.6291","0.0006","16.0097","0.0013","90","","108.479","0.006","90","","820.81","0.11","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0682","0.0474","","","0.1251","0.14","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508020","5.6416","0.0005","9.6467","0.0006","15.9929","0.0013","90","","108.176","0.007","90","","826.95","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0741","0.0525","","","0.1518","0.1692","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508021","8.7719","0.0005","5.0668","0.0004","9.8849","0.0007","90","","95.924","0.006","90","","436.99","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-120","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0431","0.0366","","","0.0886","0.0929","","","","","","1.103","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508022","8.7982","0.0006","5.0696","0.0004","9.912","0.0006","90","","96.201","0.006","90","","439.52","0.05","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-140","Octane-1,8-dioic aid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0526","0.0394","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508023","8.8296","0.0006","5.0617","0.0005","9.9496","0.0007","90","","96.65","0.006","90","","441.68","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-180","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0543","0.042","","","0.1024","0.1101","","","","","","1.092","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508024","8.8774","0.0006","5.0626","0.0004","9.9952","0.0007","90","","97.064","0.006","90","","445.8","0.06","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-220","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.061","0.0411","","","0.0984","0.1119","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508025","8.9252","0.0006","5.0606","0.0004","10.045","0.0008","90","","97.61","0.006","90","","449.71","0.06","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-260","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0683","0.047","","","0.1156","0.1313","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508026","8.957","0.004","5.067","0.004","10.086","0.002","90","","98.15","0.02","90","","453.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-298","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0772","0.0502","","","0.1318","0.1467","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508027","5.5124","0.0004","9.4609","0.0006","18.8726","0.0013","90","","95.932","0.007","90","","978.98","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-120-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0774","0.0689","","","0.1577","0.1612","","","","","","1.181","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508028","5.5209","0.0003","9.4673","0.0007","18.9027","0.0012","90","","96.204","0.006","90","","982.22","0.11","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-140-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0865","0.0705","","","0.1877","0.1943","","","","","","1.203","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508029","5.5365","0.0003","9.4886","0.001","18.9601","0.0014","90","","96.618","0.006","90","","989.41","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-180-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0993","0.0753","","","0.2071","0.2169","","","","","","1.205","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508030","5.5651","0.0004","9.5356","0.0009","19.0072","0.0016","90","","97.132","0.007","90","","1000.84","0.15","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-220-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0936","0.0755","","","0.2379","0.2463","","","","","","1.227","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508031","5.5902","0.0004","9.5563","0.0009","19.0914","0.0014","90","","97.704","0.007","90","","1010.69","0.14","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-260-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1138","0.0936","","","0.3371","0.3498","","","","","","1.243","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508032","5.6227","0.0004","9.5985","0.0006","19.1796","0.0013","90","","98.299","0.006","90","","1024.27","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-298-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1187","0.0948","","","0.2444","0.2569","","","","","","1.091","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508033","15.085","0.002","5.0126","0.0002","9.7915","0.0013","90","","133.79","0.02","90","","534.5","0.2","120","10","120","10","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-120","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0466","0.0356","","","0.093","0.0998","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508034","15.087","0.002","5.0117","0.0003","9.8394","0.0013","90","","133.75","0.02","90","","537.4","0.2","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-140","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0478","0.0377","","","0.0993","0.1051","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508035","15.071","0.003","4.9903","0.0003","9.9427","0.0017","90","","133.64","0.03","90","","541.2","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-180","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0518","0.0392","","","0.105","0.1121","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508036","15.048","0.002","4.9778","0.0003","10.014","0.0017","90","","133.45","0.03","90","","544.6","0.3","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-220","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.063","0.0448","","","0.1143","0.1236","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508037","15.035","0.003","4.9739","0.0003","10.066","0.002","90","","133.29","0.04","90","","547.9","0.4","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-260","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0659","0.0475","","","0.13","0.1429","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508038","15.056","0.004","4.9866","0.0005","10.144","0.003","90","","133.14","0.04","90","","555.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-298","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd–Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0856","0.0529","","","0.1331","0.1516","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508039","40.819","0.005","5.554","0.0005","7.0928","0.0007","90","","98.086","0.004","90","","1592","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","Sodium naproxen tetrahydrate","","","- C14 H21 Na O7 -","- C14 H13 Na O7 -","- C56 H52 Na4 O28 -","4","1","","Bond, Andrew D.; Cornett, Claus; Larsen, Flemming H.; Qu, Haiyan; Raijada, Dhara; Rantanen, Jukka","Interpreting the Disordered Crystal Structure of Sodium Naproxen Tetrahydrate","Crystal Growth & Design","2013","13","8","3665","","10.1021/cg400688c","","","0.71073","MoKα","","0.0856","0.052","","","0.1172","0.1354","","","","","","1.011","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508040","9.1759","0.0009","9.1769","0.0009","13.6079","0.0014","92.146","0.002","94.031","0.002","115.264","0.001","1030.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium hydrogenmalonate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C40 H48 N8 O8 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0571","0.0478","","","0.1211","0.1271","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508041","8.805","0.006","9.634","0.006","19.461","0.012","88.035","0.011","83.349","0.011","74.023","0.011","1576.4","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium dimaleate monofumaric acid","","- C29 H32 N4 O12 S -","- C29 H32 N4 O12 S -","- C58 H64 N8 O24 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.1467","0.0972","","","0.1964","0.223","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508042","12.5118","0.001","9.6552","0.0008","19.3403","0.0016","90","","91.066","0.001","90","","2336","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Olanzapinium p-aminobenzoate hemihydrate","","- C24 H27 N5 O3 S -","- C24 H27 N5 O3 S -","- C96 H108 N20 O12 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0672","0.0605","","","0.154","0.1587","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508043","9.27","0.004","10.539","0.005","15.713","0.007","102.808","0.007","104.176","0.008","95.93","0.008","1431","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium salicylate benzene","","- C33 H35 N4 O3 S -","- C33 H35 N4 O3 S -","- C66 H70 N8 O6 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.123","0.083","","","0.1593","0.1745","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508044","24.549","0.002","12.5131","0.0011","15.1433","0.0013","90","","125.467","0.001","90","","3788.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetonitrile monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0545","0.05","","","0.1412","0.145","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508045","24.541","0.007","12.459","0.003","15.178","0.004","90","","125.485","0.004","90","","3778.8","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine ethanol monohydrate","","- C18 H22 N4 O1.5 S -","- C18 H22 N4 O1.5 S -","- C144 H176 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0792","0.0591","","","0.1545","0.1681","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508046","24.85","0.004","12.4355","0.0017","15.128","0.002","90","","125.521","0.002","90","","3804.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine nitromethane monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0794","0.0691","","","0.1695","0.1772","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508047","24.628","0.003","12.5833","0.0015","15.2002","0.0018","90","","125.803","0.002","90","","3820.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetone monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0595","0.0523","","","0.1472","0.1538","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508048","20.085","0.002","3.7591","0.0004","8.2934","0.001","90","","90","","90","","626.16","0.12","293","2","293","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Clevers, Simon; Simon, Florent; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Monotropic Transition Mechanism ofm-Hydroxybenzoic Acid Investigated by Temperature-Resolved Second Harmonic Generation","Crystal Growth & Design","2013","13","8","3697","","10.1021/cg400712s","","x-ray","0.71073","MoKα","","0.0332","0.0319","","","0.0859","0.0871","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508049","6.4777","0.0005","5.0082","0.0004","8.9897","0.0008","90","","95.679","0.008","90","","290.21","0.04","119.9","","119.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C8 H8 Li4 O12 -","2","0.5","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0612","0.0459","","","0.1149","0.132","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508050","9.688","0.0005","5.3821","0.0002","11.409","0.0006","90","","93.959","0.005","90","","593.47","0.05","120.1","","120.1","","","","","","","","","4","C 1 c 1","C -2yc","9","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0386","0.0343","","","0.0749","0.0778","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508051","12.0809","0.0015","4.9703","0.0006","9.4471","0.0011","90","","91.241","0.011","90","","567.12","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium D,L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.71073","","","0.0617","0.0495","","","0.1238","0.1288","","","","","","0.976","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508052","15.153","0.006","5.0136","0.0008","10.376","0.004","90","","131.89","0.06","90","","586.8","0.6","120","","120","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate","Dilithium L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0225","0.0221","","","0.0578","0.0581","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508053","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C12 H8.58 O3.33 Zn0.5 -","- C12 H5 O3.33333 Zn0.5 -","- C144 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0957","0.0812","","","0.2488","0.2616","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508054","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C9 H5.67 O3.33 Zn0.5 -","- C9 H5 O3.33333 Zn0.5 -","- C108 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0527","0.0424","","","0.1312","0.142","","","","","","0.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508055","15.045","0.005","20.017","0.004","9.736","0.005","90","","94.604","0.005","90","","2922.6","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd Fe N6 O7 -","- C30 H22 Cd Fe N6 O7 -","- C120 H88 Cd4 Fe4 N24 O28 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0961","0.0562","","","0.1275","0.1612","","","","","","1.024","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508056","16.023","0.005","24.182","0.006","10.566","0.005","90","","104.666","0.005","90","","3961","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cd N6 O4 -","- C40 H30 Cd N6 O4 -","- C160 H120 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.076","0.0556","","","0.1415","0.155","","","","","","0.995","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508057","15.526","0.004","12.813","0.003","10.324","0.002","90","","104.633","0.004","90","","1987.2","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H30 N6 O4 Zn -","- C40 H30 N6 O4 Zn -","- C80 H60 N12 O8 Zn2 -","2","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1051","0.0857","","","0.2363","0.2475","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508058","8.055","0.005","17.819","0.005","18.976","0.005","90","","100.336","0.005","90","","2679","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd N6 O4 -","- C32 H22 Cd N6 O4 -","- C128 H88 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0733","0.045","","","0.1021","0.1373","","","","","","1.043","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508059","29.729","0.004","16.864","0.005","10.889","0.003","90","","92.976","0.005","90","","5452","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 Cd2 N12 O11 -","- C64 H46 Cd2 N12 O11 -","- C256 H184 Cd8 N48 O44 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0479","0.0329","","","0.0702","0.0764","","","","","","1.031","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508060","11.857","0.005","12.448","0.003","22.213","0.005","101.996","0.005","99.977","0.005","107.559","0.005","2958","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H44 Cd2 N12 O12 -","- C65 H44 Cd2 N12 O12 -","- C130 H88 Cd4 N24 O24 -","2","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0929","0.0699","","","0.1874","0.234","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508061","11.443","0.005","12.965","0.003","17.669","0.005","99.748","0.005","101.328","0.005","103.586","0.005","2433.7","1.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","1","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.104","0.0848","","","0.2247","0.248","","","","","","1.015","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508062","8.733","0.002","22.98","0.005","16.283","0.004","90","","90","","90","","3267.7","1.3","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H21 Br2 Co N8 O9 -","- C32 H21 Br2 Co N8 O9 -","- C128 H84 Br8 Co4 N32 O36 -","4","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1239","0.0954","","","0.2521","0.2782","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508063","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508064","20.4065","0.0014","6.3085","0.0004","19.1306","0.0014","90","","90","","90","","2462.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 F4 I2 N O3 -","- C22 H22 F4 I2 N O3 -","- C88 H88 F16 I8 N4 O12 -","4","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0347","0.0271","","","0.0512","0.0544","","","","","","0.984","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508065","9.8175","0.0006","13.4664","0.0008","14.4858","0.0008","113.295","0.001","95.788","0.001","105.232","0.001","1651.29","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F8 I4 N O3 -","- C28 H22 F8 I4 N O3 -","- C56 H44 F16 I8 N2 O6 -","2","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0348","0.0285","","","0.0669","0.0697","","","","","","1.067","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508066","17.2454","0.0008","17.2454","0.0008","84.294","0.006","90","","90","","120","","21711","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H45 Co7 N0 O36 -","- C54 H39 Co7 O36 -","- C648 H468 Co84 O432 -","12","0.333333","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0572","0.0537","","","0.1595","0.1643","","","","","","1.091","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508067","11.0815","0.0014","12.6742","0.0019","14.523","0.002","91.853","0.008","92.757","0.006","97.818","0.009","2016.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","1","0.5","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0559","0.0475","","","0.1443","0.1543","","","","","","1.026","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508068","14.3747","0.0015","23.957","0.003","18.633","0.002","90","","90","","90","","6416.7","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H46 Co5 N0 O28 -","- C54 H38 Co5 O28 -","- C216 H152 Co20 O112 -","4","1","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0439","0.0407","","","0.1233","0.1283","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508069","12.1709","0.0011","17.4598","0.0013","16.8831","0.0015","90","","95.199","0.004","90","","3572.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Cl4 N12 O22 Pd2 -","- C44 H72 Cl4 N12 O22 Pd2 -","- C88 H144 Cl8 N24 O44 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.1043","0.074","","","0.2138","0.2429","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508070","20.461","0.004","16.581","0.003","11.713","0.002","90","","103.48","0.03","90","","3864.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N16 O32 Pd2 -","- C56 H56 N16 O32 Pd2 -","- C112 H112 N32 O64 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.0672","0.0479","","","0.1359","0.1517","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508071","19.3948","0.0007","8.9515","0.0003","20.0301","0.0006","90","","113.908","0.001","90","","3179.1","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Cl4 N14 O16 Pd2 -","- C56 H62 Cl4 N14 O16 Pd2 -","- C112 H124 Cl8 N28 O32 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.04","0.034","","","0.0913","0.098","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508072","28.0444","0.001","9.7439","0.0003","13.8917","0.0006","90","","115.716","0.005","90","","3420.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) alpha","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C128 H136 Mo8 N24 O48 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0271","0.0227","","","0.0634","0.0649","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508073","6.6894","0.0002","7.951","0.0003","16.545","0.0004","89.648","0.002","88.077","0.002","86.684","0.003","878.01","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) beta","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C32 H34 Mo2 N6 O12 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0497","0.0296","","","0.0478","0.0507","","","","","","0.921","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508074","8.2387","0.0013","14.45","0.002","14.9022","0.0018","87.511","0.011","83.424","0.012","87.411","0.013","1759.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) gamma","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C64 H68 Mo4 N12 O24 -","4","2","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0724","0.0544","","","0.1471","0.1586","","","","","","0.985","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508075","28.8951","0.0007","9.6243","0.0002","27.6282","0.0006","90","","90.607","0.002","90","","7682.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cyclo-(tetrakis(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N,N') tetrakis(cis-dioxo molybdenum(VI))-dichloromethane(1/2.5)","","- C30.5 H27 Cl5 Mo2 N6 O10 -","- C30.5 H26 Cl5 Mo2 N6 O10 -","- C244 H208 Cl40 Mo16 N48 O80 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0417","0.034","","","0.0754","0.0789","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508076","12.8761","0.0007","11.2127","0.0005","17.966","0.0008","90","","100.514","0.005","90","","2550.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","γ-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) γ-picoline solvate","","- C26 H25 Mo N5 O5 -","- C26 H25 Mo N5 O5 -","- C104 H100 Mo4 N20 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.044","0.0335","","","0.0806","0.0899","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508077","12.1954","0.0002","10.7126","0.0002","14.7474","0.0002","90","","97.317","0.002","90","","1910.98","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI)","","- C19 H16 Mo N4 O5 -","- C19 H16 Mo N4 O5 -","- C76 H64 Mo4 N16 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0318","0.0274","","","0.075","0.0775","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508078","7.4961","0.0004","11.6335","0.0006","11.938","0.0006","110.363","0.005","102.375","0.004","98.315","0.004","925.62","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","dimethyl sulfoxide(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)- cis-dioxomolybdenum(VI)","","- C16 H17 Mo N3 O6 S -","- C16 H17 Mo N3 O6 S -","- C32 H34 Mo2 N6 O12 S2 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0287","0.0243","","","0.0569","0.0585","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508079","6.0616","0.0004","10.9133","0.0007","12.8782","0.0007","72.017","0.003","79.418","0.003","78.143","0.003","786.37","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Na2 O6 S -","- C14 H8 Na2 O6 S -","- C28 H16 Na4 O12 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0765","0.0703","","","0.1541","0.1564","","","","","","1.189","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508080","25.8796","0.0005","13.3553","0.0003","23.34","0.0005","90","","110.287","0.001","90","","7566.6","0.3","295","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H43 K8 N O27 S4 -","- C59 H43 K8 N O27 S4 -","- C236 H172 K32 N4 O108 S16 -","4","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal–Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.1246","0.0663","","","0.2446","0.2921","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508081","12.1526","0.0004","4.8183","0.0002","12.3055","0.0004","90","","109.222","0.002","90","","680.38","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H8 O6 Rb S -","- C14 H8 O6 Rb S -","- C28 H16 O12 Rb2 S2 -","2","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0676","0.0461","","","0.1171","0.1264","","","","","","1.075","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508082","6.0544","0.0002","12.4991","0.0003","14.7539","0.0005","114.462","0.001","93.213","0.001","100.177","0.001","989.83","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cs N O8 S -","- C17 H17 Cs N O8 S -","- C34 H34 Cs2 N2 O16 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0227","0.0213","","","0.0568","0.0578","","","","","","1.081","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508083","5.7629","0.0012","9.6524","0.0019","18.3","0.004","105.13","0.03","92.04","0.03","97.68","0.03","971.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 La O11 P2 -","- C16 H17 La O11 P2 -","- C32 H34 La2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0553","0.0499","","","0.0978","0.1002","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508084","5.742","0.003","9.574","0.004","18.271","0.01","105.13","0.019","92.58","0.02","97.44","0.02","958.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Ce O11 P2 -","- C16 H17 Ce O11 P2 -","- C32 H34 Ce2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0301","0.0261","","","0.0843","0.1046","","","","","","1.244","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508085","5.733","0.0011","9.5336","0.0019","18.32","0.004","104.92","0.03","92.48","0.03","97.31","0.03","956.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Pr -","- C16 H17 O11 P2 Pr -","- C32 H34 O22 P4 Pr2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0185","0.0177","","","0.0443","0.0445","","","","","","1.094","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508086","5.728","0.0011","9.5108","0.0019","18.379","0.004","104.68","0.03","92.6","0.03","97.38","0.03","957.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Nd O11 P2 -","- C16 H17 Nd O11 P2 -","- C32 H34 Nd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0211","0.0192","","","0.0429","0.0436","","","","","","1.081","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508087","5.7113","0.0011","9.4497","0.0019","18.326","0.004","104.47","0.03","92.56","0.03","97.42","0.03","946.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Sm -","- C16 H17 O11 P2 Sm -","- C32 H34 O22 P4 Sm2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.032","0.029","","","0.0639","0.0649","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508088","5.6768","0.0011","9.3899","0.0019","18.342","0.004","104.31","0.03","92.64","0.03","97.22","0.03","936.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Eu O11 P2 -","- C16 H17 Eu O11 P2 -","- C32 H34 Eu2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0218","0.0198","","","0.044","0.0446","","","","","","1.03","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508089","5.6641","0.0011","9.379","0.0019","18.359","0.004","104.23","0.03","92.26","0.03","97.44","0.03","934.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Gd O11 P2 -","- C16 H17 Gd O11 P2 -","- C32 H34 Gd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0194","0.0185","","","0.0588","0.0592","","","","","","1.211","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508090","5.6716","0.0011","9.3586","0.0019","18.379","0.004","104.11","0.03","92.62","0.03","97.36","0.03","935.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Tb -","- C16 H17 O11 P2 Tb -","- C32 H34 O22 P4 Tb2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0287","0.0267","","","0.0658","0.0666","","","","","","1.053","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508091","6.8748","0.0003","10.7986","0.0004","18.2305","0.0007","90","","94.223","0.004","90","","1349.73","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0511","0.0395","","","0.0907","0.0976","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508092","6.9104","0.0002","10.8234","0.0004","18.2296","0.0006","90","","94.294","0.003","90","","1359.64","0.08","156","2","156","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0547","0.0394","","","0.0903","0.0979","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508093","6.9338","0.0003","10.8248","0.0004","18.2357","0.0007","90","","94.401","0.004","90","","1364.68","0.09","192","2","192","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0574","0.04","","","0.0926","0.1028","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508094","6.9716","0.0003","10.8431","0.0004","18.2505","0.0006","90","","94.553","0.004","90","","1375.27","0.09","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0606","0.0422","","","0.0969","0.1076","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508095","7.0029","0.0003","10.836","0.0004","18.2332","0.0007","90","","94.677","0.004","90","","1378.99","0.09","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0765","0.0468","","","0.1007","0.1175","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508096","7.0554","0.0006","10.8554","0.0007","18.2901","0.001","90","","94.888","0.007","90","","1395.73","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.081","0.0495","","","0.1048","0.1195","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508097","7.3413","0.0006","11.2894","0.0009","18.0267","0.001","74.151","0.006","89.959","0.006","71.697","0.007","1358.6","0.19","120","6","120","6","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1381","0.1005","","","0.2728","0.3238","","","","","","1.045","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508098","7.3787","0.0004","11.3067","0.0005","18.0459","0.0008","73.991","0.004","89.73","0.004","71.657","0.004","1368.06","0.12","156","2","156","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0979","0.0756","","","0.1923","0.2144","","","","","","1.039","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508099","7.3932","0.0004","11.3015","0.0006","18.0214","0.0009","74.256","0.005","89.781","0.005","71.829","0.005","1371.61","0.14","192","2","192","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1035","0.0761","","","0.1931","0.2176","","","","","","1.048","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508100","7.4344","0.0003","11.3195","0.0006","18.0616","0.001","74.321","0.005","89.68","0.004","71.924","0.004","1386.07","0.13","228","2","228","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1063","0.0777","","","0.1872","0.2101","","","","","","1.034","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508101","7.4722","0.0004","11.3259","0.0006","18.0537","0.001","74.282","0.005","89.53","0.004","71.922","0.005","1393.33","0.14","264","2","264","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1118","0.0765","","","0.1911","0.2192","","","","","","1.054","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508102","7.4898","0.0003","11.3144","0.0007","18.0141","0.001","74.261","0.005","89.423","0.004","71.923","0.005","1392.21","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1185","0.0769","","","0.1869","0.218","","","","","","1.035","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508103","17.2532","0.0005","12.9657","0.0004","6.6115","0.0002","90","","111.443","0.002","90","","1376.62","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H30 Mg3 O24 -","- C18 H30 Mg3 O24 -","- C36 H60 Mg6 O48 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0465","0.0365","","","0.0841","0.0891","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508104","7.8423","0.0005","8.7463","0.0005","10.7163","0.0008","101.274","0.003","91.868","0.003","96.042","0.003","715.79","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Mg2 O13 -","- C9 H14 Mg2 O13 -","- C18 H28 Mg4 O26 -","2","1","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1233","0.0902","","","0.2508","0.2721","","","","","","1.143","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508105","7.7922","0.0002","7.7932","0.0002","7.7929","0.0002","66.135","0.004","66.148","0.004","66.148","0.004","379.06","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","1","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1413","0.0854","","","0.2111","0.2552","","","","","","1.074","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508106","5.1286","0.0001","12.9832","0.0004","15.1717","0.0004","90","","97.17","0.05","90","","1002.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mg O16 -","- C18 H18 Mg O16 -","- C36 H36 Mg2 O32 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0569","0.0381","","","0.1086","0.1485","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508116","9.242","0.0018","18.201","0.004","9.727","0.0019","90","","105.11","0.03","90","","1579.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N2 O5 -","- C16 H14 Cd N2 O5 -","- C64 H56 Cd4 N8 O20 -","4","1","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0348","0.0315","","","0.0849","0.0862","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508117","10.17","0.002","20.659","0.004","7.672","0.0015","90","","104.26","0.03","90","","1562.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cd N O6 -","- C17 H15 Cd N O6 -","- C68 H60 Cd4 N4 O24 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0235","0.0223","","","0.0587","0.0592","","","","","","1.156","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508118","10.226","0.002","20.706","0.004","7.5525","0.0015","90","","90","","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C17 H11 Cd N3 O4 -","- C17 H7 Cd N3 O4 -","- C68 H28 Cd4 N12 O16 -","4","0.25","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.059","0.0447","","","0.0968","0.1011","","","","","","1.067","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508119","20.827","0.004","10.148","0.002","11.79","0.002","90","","105.86","0.03","90","","2397","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C23 H16 Cd N3 O4.5 -","- C23 H7 Cd N3 O4.515 -","- C92 H28 Cd4 N12 O18.06 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0637","0.0569","","","0.1579","0.1615","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508122","47.4","0.004","9.611","0.0007","17.8051","0.0013","90","","92.21","0.001","90","","8105.3","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Co3 N8 O18 -","- C58 H44 Co3 N8 O18 -","- C232 H176 Co12 N32 O72 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1592","0.0752","","","0.1631","0.1755","","","","","","1.035","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508123","16.407","0.0008","22.5138","0.0015","30.5117","0.0019","90","","90","","90","","11270.5","1.2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H28 F12 N4 O12 Zn2 -","- C58 H28 F12 N4 O12 Zn2 -","- C232 H112 F48 N16 O48 Zn8 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1465","0.0947","","","0.2635","0.3007","","","","","","0.971","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508124","16.251","0.0006","18.0786","0.0007","18.6411","0.0006","90","","90","","90","","5476.7","0.3","100.05","0.1","100.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H44 Ag2 F6 N16 O6 S2 -","- C54 H44 Ag2 F6 N16 O6 S2 -","- C216 H176 Ag8 F24 N64 O24 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0304","0.0265","","","0.0656","0.0688","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508125","33.001","0.002","11.547","0.0004","19.8795","0.0013","90","","124.041","0.009","90","","6277.2","0.9","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H26 Ag F3 N8 O3 S -","- C30.5 H26 Ag F3 N8 O3 S -","- C244 H208 Ag8 F24 N64 O24 S8 -","8","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.0709","0.0649","","","0.1758","0.1852","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508126","8.31","0.0003","13.3694","0.0005","13.6725","0.0006","76.094","0.004","82.749","0.003","81.674","0.003","1452.33","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H23.5 Ag F3 N8.5 O3 S -","- C28 H23.5 Ag F3 N8.5 O3 S -","- C56 H47 Ag2 F6 N17 O6 S2 -","2","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0392","0.0304","","","0.0611","0.0664","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508127","14.34228","0.00016","14.34228","0.00016","32.9099","0.0006","90","","90","","90","","6769.6","0.16","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C240 H220 Ag8 F24 N72 O26 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.056","0.0526","","","0.1431","0.1471","","","","","","1.065","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508128","14.7117","0.0005","15.2436","0.0005","15.738","0.0006","87.494","0.003","78.842","0.003","66.093","0.003","3163.2","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C29.79 H26.18 Ag F3 N9.39 O3 S -","- C29.789 H26.1835 Ag F3 N9.3945 O3 S -","- C119.156 H104.734 Ag4 F12 N37.578 O12 S4 -","4","2","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0828","0.0705","","","0.162","0.1671","","","","","","1.212","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508129","5.9421","0.0012","17.846","0.004","19.075","0.004","90","","90","","90","","2022.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C72 H40 Cl24 N16 O8 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole–Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.71073","MoKα","","0.0343","0.0294","","","0.0737","0.0764","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508130","9.961","0.002","10.44","0.002","11.012","0.002","97.45","0.03","103.8","0.03","110.22","0.03","1014.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C36 H20 Cl12 N8 O4 -","4","2","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole–Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508131","6.382","0.0013","11.442","0.002","12.786","0.003","90","","90","","90","","933.7","0.3","100","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Cl3 N O -","- C7 H6 Cl3 N O -","- C28 H24 Cl12 N4 O4 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole–Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0186","0.0186","","","0.0483","0.0483","","","","","","1.102","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508132","4.608","0.0003","17.0454","0.0008","7.5462","0.0004","90","","90","","90","","592.72","0.06","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au Eu In4 -","- Au Eu In4 -","- Au4 Eu4 In16 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0286","0.025","","","0.0733","0.0936","","","","","","0.776","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508133","18.5987","0.0007","4.6616","0.0002","7.4669","0.0003","90","","90","","90","","647.38","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Eu In4 -","- Au2 Eu In4 -","- Au8 Eu4 In16 -","4","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0414","0.0367","","","0.0961","0.101","","","","","","1.077","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508134","6.8072","0.0014","9.4831","0.0019","24.016","0.005","90","","94.459","0.004","90","","1545.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxybenzoic acid).(acridine) form I","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0623","0.0472","","","0.1364","0.1471","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508135","7.0913","0.0018","9.287","0.002","12.972","0.003","72.937","0.005","75.915","0.005","80.609","0.005","788.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).(acridine) Form II","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0912","0.0452","","","0.113","0.1356","","","","","","0.908","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508136","10.222","0.003","11.687","0.003","11.903","0.003","110.667","0.005","99.266","0.006","100.742","0.006","1266.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).bis(acridine)","","- C33 H24 N2 O3 -","- C33 H24 N2 O3 -","- C66 H48 N4 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1179","0.0484","","","0.1272","0.163","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508137","7.042","0.006","7.28","0.006","14.536","0.011","77.364","0.015","80.549","0.017","65.514","0.015","659.5","0.9","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) methanol solvate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.095","0.0642","","","0.1666","0.1944","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508138","5.8411","0.0009","8.1695","0.0014","13.4181","0.0019","96.617","0.005","91.353","0.004","94.753","0.007","633.49","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form I","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0732","0.0416","","","0.1092","0.1269","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508139","12.464","0.003","8.2856","0.0016","12.665","0.003","90","","109.579","0.005","90","","1232.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form II","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0985","0.0484","","","0.0886","0.1011","","","","","","0.951","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508140","32.783","0.003","4.0815","0.0003","12.4392","0.0007","90","","90","","90","","1664.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(malonic acid).bis(nicotinamide) Form I","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.046","0.0386","","","0.1055","0.1107","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508141","11.804","0.003","5.336","0.0013","25.121","0.006","90","","94.484","0.005","90","","1577.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(malonic acid).bis(nicotinamide) Form II","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0776","0.0384","","","0.091","0.1103","","","","","","0.997","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508142","8.838","0.003","31.514","0.008","5.252","0.002","90","","90","","90","","1462.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(nicotinamide).(pimelic acid) Form II","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1857","0.0909","","","0.2345","0.3072","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508143","10.51506","0.00016","13.333","0.0002","20.3036","0.0003","90","","96.6413","0.0014","90","","2827.41","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 N4 O8 -","- C28 H30 Cl2 N4 O8 -","- C112 H120 Cl8 N16 O32 -","4","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0503","0.0435","","","0.1121","0.1171","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508144","10.5094","0.0006","11.7425","0.0006","13.4568","0.0005","96.238","0.004","98.973","0.004","105.33","0.005","1562.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl2 N4 O8 -","- C30 H32 Cl2 N4 O8 -","- C60 H64 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0775","0.071","","","0.2215","0.2332","","","","","","1.699","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508145","10.5261","0.0008","11.7297","0.0009","13.458","0.0011","95.287","0.006","99.302","0.007","104.429","0.007","1572.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N4 O8 -","- C30 H33 Cl2 N4 O8 -","- C60 H66 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0931","0.0749","","","0.2136","0.2341","","","","","","1.437","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508146","5.8721","0.0003","8.3797","0.0004","34.4919","0.0014","92.623","0.004","93.859","0.004","103.791","0.004","1641.21","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl2 N4 O8 -","- C32 H38 Cl2 N4 O8 -","- C64 H76 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0766","0.0689","","","0.19","0.2033","","","","","","1.318","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508147","13.5699","0.0014","12.2549","0.0013","38.232","0.004","90","","97.443","0.001","90","","6304.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cd4 N18 O14 -","- C58 H48 Cd4 N18 O14 -","- C232 H192 Cd16 N72 O56 -","4","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.09","0.0647","","","0.1825","0.1987","","","","","","1.088","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508148","9.685","0.002","15.572","0.004","17.089","0.004","79.553","0.003","74.687","0.003","75.355","0.003","2386.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H36 Cd2 N18 O10 -","- C47 H32 Cd2 N18 O10 -","- C94 H64 Cd4 N36 O20 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1843","0.0892","","","0.23","0.2785","","","","","","1.041","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508149","19.141","0.003","13.3566","0.0017","15.726","0.002","90","","103.586","0.002","90","","3908","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N9 O2 Zn -","- C19 H15 N9 O2 Zn -","- C152 H120 N72 O16 Zn8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1193","0.068","","","0.2024","0.2379","","","","","","1.047","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508150","11.121","0.004","11.668","0.004","11.743","0.004","68.637","0.004","77.481","0.004","80.178","0.004","1378.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Cu Mo4 N9 O13 -","- C19 H13 Cu Mo4 N9 O13 -","- C38 H26 Cu2 Mo8 N18 O26 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.106","0.0722","","","0.1871","0.2117","","","","","","1.04","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508151","10.2565","0.0014","13.3329","0.0018","18.309","0.003","105.25","0.002","93.841","0.002","95.042","0.002","2395.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Co Mo4 N18 O18 -","- C38 H36 Co Mo4 N18 O18 -","- C76 H72 Co2 Mo8 N36 O36 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.071","0.0518","","","0.1003","0.1191","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508152","30.2207","0.0017","18.7391","0.001","17.5365","0.001","90","","102.794","0.001","90","","9684.5","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Ag Mo12 N9 O42 P -","- C19 H19 Ag Mo12 N9 O42 P -","- C152 H152 Ag8 Mo96 N72 O336 P8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.0598","0.0466","","","0.0938","0.1048","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508153","9.8937","0.0006","10.9771","0.0008","17.1409","0.0011","90","","90","","90","","1861.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0635","0.0414","","","0.0734","0.0805","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508154","5.088","0.0002","11.8516","0.0004","14.0429","0.0005","90","","95.921","0.002","90","","842.28","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0414","0.0346","","","0.068","0.0755","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508155","12.2014","0.0002","14.0392","0.0003","11.8806","0.0002","90","","93.982","0.001","90","","2030.21","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0619","0.0389","","","0.0894","0.1014","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508156","7.901","0.002","9.8","0.003","12.291","0.003","92.926","0.016","91.192","0.015","105.216","0.015","916.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2Z)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)propenoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.1462","0.1102","","","0.2918","0.3263","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508157","11.0376","0.0003","20.3212","0.0004","11.8282","0.0003","90","","103.939","0.002","90","","2574.91","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 F2 N5 O3 -","- C31 H23 F2 N5 O3 -","- C124 H92 F8 N20 O12 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1288","0.0491","","","0.0968","0.1158","","","","","","0.829","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508158","8.9432","0.0003","12.1904","0.0004","18.6492","0.0007","104.625","0.002","100.492","0.005","93.696","0.004","1921.31","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 F2 N5 O6 S -","- C32 H26 F2 N5 O6 S -","- C64 H52 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1203","0.0712","","","0.1916","0.2118","","","","","","0.965","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508159","11.2365","0.0011","23.197","0.002","15.3502","0.0015","90","","92.604","0.002","90","","3996.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 F2 N6 O7 S -","- C43 H42 F2 N6 O7 S -","- C172 H168 F8 N24 O28 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1487","0.0563","","","0.12","0.1449","","","","","","0.825","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508160","11.9663","0.0007","9.3052","0.0006","26.9046","0.0016","90","","95.223","0.001","90","","2983.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 F2 N5 O6 S -","- C32 H27 F2 N5 O6 S -","- C128 H108 F8 N20 O24 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.0897","0.0482","","","0.1119","0.1313","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508161","11.0899","0.0005","11.6508","0.0006","13.0881","0.0006","99.603","0.003","92.085","0.001","92.889","0.001","1663.52","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F2 N5 O6 S -","- C38 H31 F2 N5 O6 S -","- C76 H62 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.062","0.0421","","","0.1012","0.1115","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508162","3.55","0.005","9.093","0.005","24.527","0.005","90","0.005","91.737","0.005","90","0.005","791.4","1.2","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fumarate monohydrate of 5-FC","","","- C6 H8 F N3 O4 -","- C6 H8 F N3 O4 -","- C24 H32 F4 N12 O16 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0383","0.0348","","","","0.1004","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508163","5.261","0.0002","15.197","0.0006","7.884","0.0003","90","","92.206","0.003","90","","629.87","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","oxalate of 5-FC","","","- C5 H5 F N3 O3 -","- C5 H5 F N3 O3 -","- C20 H20 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0648","0.0466","","","","0.136","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508164","9.345","0.0005","11.862","0.0006","18.954","0.0008","90","","113.573","0.003","90","","1925.73","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Maleate of 5-FC","","","- C8 H8 F N3 O5 -","- C8 H8 F N3 O5 -","- C64 H64 F8 N24 O40 -","8","2","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.1258","0.0545","","","","0.1464","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508165","10.504","0.002","10.1838","0.0018","10.638","0.002","90","","95.408","0.018","90","","1132.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 S -","- C11 H9 Cl N2 O2 S -","- C44 H36 Cl4 N8 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0466","0.0343","","","0.095","0.0982","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508166","8.0179","0.0016","8.569","0.003","9.992","0.003","86.046","0.018","67.054","0.012","77.792","0.015","617.8","0.3","293.1","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C24 H20 N4 O8 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.985","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508167","10.408","0.001","11.773","0.001","12.019","0.002","73.41","0.01","69.53","0.01","71.55","0.01","1283.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C48 H44 N12 O16 S4 -","4","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0512","0.0396","","","0.102","0.1103","","","","","","1.023","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508168","10.912","0.001","9.586","0.003","24.842","0.003","90","","90","","90","","2598.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0654","0.0378","","","0.092","0.1114","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508169","14.455","0.003","11.514","0.002","14.857","0.003","90","","90","","90","","2472.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N3 O3 S -","- C11 H14 N3 O3 S -","- C88 H112 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0748","0.0442","","","0.1358","0.1439","","","","","","1.11","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508170","16.079","0.006","5.4807","0.0019","25.763","0.009","90","","96.116","0.006","90","","2257.4","1.4","293.1","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0435","","","","0.0496","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508171","8.0686","0.0015","8.5141","0.0014","10.573","0.002","78.513","0.013","83.589","0.013","71.11","0.012","672.6","0.2","293.1","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C24 H18 Br4 N2 O4 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.036","","","","0.0464","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508172","15.387","0.003","6.2734","0.0013","27.363","0.006","90","","90","","90","","2641.3","0.9","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C104 H104 Cl8 N16 O16 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0482","0.0386","","","0.0987","0.1022","","","","","","1.103","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508173","7.5991","0.0016","13.661","0.003","27.583","0.006","90","","90","","90","","2863.4","1.1","293.1","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N2 O3 S -","- C13 H13 Cl N2 O3 S -","- C104 H104 Cl8 N16 O24 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0546","","","","0.0615","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508174","14.74","0.004","5.845","0.003","16.093","0.005","90","","92.37","0.02","90","","1385.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N3 O4 S -","- C12 H10 Br N3 O4 S -","- C48 H40 Br4 N12 O16 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.091","0.0356","","","0.0894","0.0983","","","","","","0.962","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508175","6.3202","0.0012","9.9001","0.0018","35.109","0.007","90","","90","","90","","2196.8","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0813","","","","0.2538","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508176","9.9176","0.0012","6.3244","0.0008","34.355","0.004","90","","94.775","0.008","90","","2147.4","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0787","","","","0.2711","","","","","","1.062","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508177","10.033","0.0006","10.954","0.0006","12.825","0.0008","68.518","0.006","80.503","0.005","84.62","0.005","1292.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0624","0.0525","","","0.1417","0.152","","","","","","1.069","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508178","13.286","0.0009","10.024","0.0005","17.437","0.001","90","","98.758","0.005","90","","2295.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 N18 O18 Zn2 -","- C42 H40 N18 O18 Zn2 -","- C84 H80 N36 O36 Zn4 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1235","0.0647","","","0.1071","0.1274","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508179","13.302","0.0004","10.026","0.0003","17.45","0.0005","90","","98.713","0.003","90","","2300.38","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Co2 N18 O18 -","- C42 H44 Co2 N18 O18 -","- C84 H88 Co4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0567","0.0415","","","0.0869","0.094","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508180","13.395","0.0005","10.177","0.0003","17.662","0.0009","90","","96.925","0.003","90","","2390.14","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Cd2 N18 O18 -","- C42 H44 Cd2 N18 O18 -","- C84 H88 Cd4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0433","0.0345","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508181","11.192","0.0006","12.401","0.0008","12.566","0.0007","64.424","0.006","75.586","0.005","80.446","0.005","1520.22","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0753","0.0565","","","0.1603","0.1754","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508182","9.348","0.0005","12.351","0.0007","12.457","0.0006","100.015","0.005","107.88","0.005","111.846","0.005","1200.99","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0341","0.031","","","0.0787","0.0813","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508183","9.746","0.0005","15.285","0.0007","18.656","0.0009","107.339","0.004","99.509","0.004","92.536","0.004","2603.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H83 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1011","0.059","","","0.1262","0.1493","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508184","10.986","0.0007","12.711","0.0007","15.997","0.0009","94.244","0.005","109.288","0.005","103.527","0.005","2022","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0919","0.0531","","","0.1064","0.1276","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508185","12.938","0.0008","14.041","0.001","15.342","0.001","106.161","0.006","114.154","0.006","99.768","0.006","2311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.116","0.0646","","","0.1377","0.163","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508186","24.969","0.0012","8.36","0.0003","17.306","0.0009","90","","120.024","0.007","90","","3127.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 N20 O6 -","- C24 H24 Ag2 N20 O6 -","- C96 H96 Ag8 N80 O24 -","4","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71073","MoKα","","0.0471","0.0373","","","0.0939","0.1019","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508187","18.5784","0.0005","11.3468","0.0003","12.367","0.0003","90","","96.731","0.001","90","","2589.06","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0723","0.0467","","","0.1097","0.1238","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508188","8.3229","0.0002","8.457","0.0002","15.3718","0.0003","95.525","0.001","91.841","0.001","111.525","0.001","999.17","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H50 O8 -","- C50 H50 O8 -","- C50 H50 O8 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0497","0.0397","","","0.1036","0.1133","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508189","8.2821","0.0002","8.3786","0.0002","13.545","0.0004","86.412","0.001","72.722","0.001","73.155","0.001","858.71","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0432","0.0358","","","0.1004","0.1127","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508190","11.8726","0.0009","13.1383","0.0011","12.2294","0.001","90","","90.072","0.004","90","","1907.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N2 O2 -","- C46 H48 N2 O2 -","- C92 H96 N4 O4 -","2","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0449","0.0369","","","0.092","0.0982","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508191","40.6532","0.0009","12.2045","0.0003","22.8237","0.0005","90","","94.682","0.001","90","","11286.2","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 O6 -","- C78 H56 O6 -","- C624 H448 O48 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.1126","0.0549","","","0.126","0.1591","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508192","47.2311","0.0013","9.0398","0.0002","14.5545","0.0004","90","","93.418","0.001","90","","6203.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 O4 -","- C42 H34 O4 -","- C336 H272 O32 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0594","0.0437","","","0.1151","0.1267","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508193","11.602","0.003","34.227","0.008","11.908","0.003","90","","106.473","0.002","90","","4535","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","JMO-02","","","- C79 H129 F6 N13 O23 -","- C79 H129 F6 N13 O23 -","- C158 H258 F12 N26 O46 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0557","0.0496","","","0.1345","0.1401","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508194","27.931","0.001","27.931","0.001","22.523","0.002","90","","90","","120","","15217","1.6","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-04","","","- C74 H106 F3 N12 O32 -","- C74 H106 F3 N12 O32 -","- C444 H636 F18 N72 O192 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1351","0.1302","","","0.3355","0.3451","","","","","","1.822","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508195","48.713","0.002","48.713","0.002","10.522","0.001","90","","90","","120","","21623","2","100","2","100","2","","","","","","","synthesis as described","5","P 6","P 6","168","JMO-11","","","- C68 H99 F5 N12 O26.833 -","- C68 H99 F5 N12 O26.8333 -","- C408 H594 F30 N72 O161 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1842","0.1771","","","0.4352","0.4479","","","","","","3.543","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508196","48.481","0.015","48.481","0.015","10.298","0.002","90","","90","","120","","20962","10","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-17","","","- C72 H101 F5 N12 O17 -","- C72 H101 F5 N12 O17 -","- C432 H606 F30 N72 O102 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.00614","synchrotron","","0.1417","0.1357","","","0.31","0.3179","","","","","","1.606","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508197","13.472","0.001","17.38","0.005","35.196","0.003","90","","91.631","0.005","90","","8238","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JMO-09","","","- C132 H244 Cl5 N24 O33 -","- C132 H244 Cl5 N24 O33 -","- C264 H488 Cl10 N48 O66 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0742","0.0698","","","0.1998","0.2059","","","","","","1.015","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508198","22.635","0.005","38.582","0.01","28.317","0.003","90","","90","","90","","24729","9","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","DM74","","","- C92 H141 F3 N18 O31 -","- C92 H141 F3 N18 O31 -","- C736 H1128 F24 N144 O248 -","8","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","0.9537","synchrotron","","0.1583","0.1498","","","0.3933","0.4063","","","","","","2.187","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508199","21.635","0.002","23.415","0.003","24.754","0.003","93.327","0.002","100.308","0.002","97.322","0.002","12195","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H179 Cu7 Gd4 Ge4 N28 Na3 O194 W46 -","- C28 H112 Cu7 Gd4 Ge4 N28 Na3 O182 W46 -","- C56 H224 Cu14 Gd8 Ge8 N56 Na6 O364 W92 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1558","0.0792","","","0.1368","0.1493","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508200","21.675","0.002","23.348","0.002","24.687","0.002","93.355","0.002","100.387","0.002","97.351","0.002","12144.9","1.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H175 Cu7 Ge4 N28 Na3 O192 W46 Y4 -","- C28 H112 Cu7 Ge4 N28 Na3 O180 W46 Y4 -","- C56 H224 Cu14 Ge8 N56 Na6 O360 W92 Y8 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1602","0.0788","","","0.1306","0.1397","","","","","","1.006","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508201","11.9482","0.0003","11.9482","0.0003","30.657","0.002","90","","90","","90","","4376.6","0.3","293","2","293","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C40 H38 In N2 O12 P -","- C36 In N2 O12 P -","- C144 In4 N8 O48 P4 -","4","0.25","","Chen, Yan-Fei; Ma, Yun-Cui; Chen, Shu-Mei","A Chiral Tetrahedral Framework with Tetrahedral Guests for Catalysis and Photoluminescence","Crystal Growth & Design","2013","13","10","4154","","10.1021/cg400769p","","","0.71073","MoKα","","0.1348","0.1162","","","0.3521","0.3742","","","","","","1.148","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508202","6.992","0.004","11.726","0.006","17.764","0.009","90","","98.537","0.01","90","","1440.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C40 H92 Cl4 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0703","0.061","","","0.1863","0.1939","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508203","13.9","0.007","11.729","0.006","17.806","0.009","90","","103.85","0.01","90","","2819","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C80 H184 Cl8 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0877","0.0806","","","0.238","0.2442","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508204","6.992","0.002","11.728","0.004","17.769","0.006","90","","98.469","0.005","90","","1441.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C40 H64 Cl4 D28 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0879","0.0752","","","0.2353","0.2559","","","","","","0.958","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508205","13.907","0.007","11.735","0.006","17.847","0.009","90","","103.967","0.008","90","","2826","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C80 H128 Cl8 D56 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0999","0.0893","","","0.3276","0.3399","","","","","","1.379","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508206","30.305","0.006","8.042","0.0016","21.397","0.004","90","","129.08","0.03","90","","4048","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1367","0.0642","","","0.1317","0.1572","","","","","","1.001","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508207","9.358","0.0019","13.305","0.003","20.465","0.004","95.37","0.03","95.93","0.03","100.08","0.03","2479","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-phenyl-4,5-dihydropyrazol-1-yl)ethanone chloroform solvate","","- C28 H21 Cl3 N2 O -","- C28 H21 Cl3 N2 O -","- C112 H84 Cl12 N8 O4 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.2022","0.079","","","0.128","0.1595","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508208","28.067","0.006","9.837","0.002","9.145","0.0018","90","","90","","90","","2524.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1447","0.0563","","","0.0864","0.1102","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508209","18.567","0.004","21.868","0.004","5.642","0.0011","90","","90","","90","","2290.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1835","0.053","","","0.0562","0.0885","","","","","","0.831","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508210","7.843","0.002","7.484","0.002","19.078","0.003","90","","90","","90","","1119.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O6 P2 -","- C10 H10 O6 P2 -","- C40 H40 O24 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0933","0.0326","","","0.0468","0.0553","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508211","6.9607","0.0006","8.5205","0.0008","9.134","0.001","75.578","0.007","71.587","0.008","74.493","0.008","487.19","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0956","0.052","","","0.1238","0.1468","","","","","","1.001","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508212","9.613","0.002","8.24","0.002","9.227","0.003","90","","111.83","0.01","90","","678.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O6 P2 -","- C12 H14 O6 P2 -","- C24 H28 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1491","0.0773","","","0.1338","0.1746","","","","","","1.001","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508213","13.345","0.003","8.698","0.002","9.256","0.002","90","","94.73","0.01","90","","1070.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O8 P2 S2 -","- C16 H26 O8 P2 S2 -","- C32 H52 O16 P4 S4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0675","0.0359","","","0.0827","0.0992","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508214","7.7904","0.0005","9.7947","0.0006","9.9097","0.0006","119.461","0.006","99.979","0.005","101.479","0.005","611.76","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0702","0.0362","","","0.0761","0.0954","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508215","7.6792","0.0005","9.3143","0.0006","9.942","0.0005","105.206","0.005","110.74","0.006","102.028","0.005","604.93","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0462","0.0316","","","0.0727","0.0824","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508216","7.1963","0.0005","10.016","0.001","10.432","0.001","99.98","0.01","93.83","0.01","109.51","0.02","691.7","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.144","0.0751","","","0.1114","0.1453","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508217","15.778","0.002","17.252","0.002","8.2767","0.0009","90","","113.81","0.01","90","","2061.2","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O7 P2 -","- C19 H26 N2 O7 P2 -","- C76 H104 N8 O28 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1557","0.0478","","","0.0661","0.0827","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508218","14.3936","0.0006","9.4916","0.0004","8.2341","0.0003","90","","105.454","0.004","90","","1084.26","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O8 P2 -","- C18 H28 N2 O8 P2 -","- C36 H56 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0833","0.0382","","","0.0697","0.0887","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508219","10.266","0.002","6.04","0.001","18.192","0.003","90","","103.62","0.01","90","","1096.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N2 O8 P2 -","- C20 H32 N2 O8 P2 -","- C40 H64 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0548","0.0319","","","0.0736","0.0859","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508220","8.652","0.0017","9.225","0.0018","13.594","0.003","72.98","0.01","88.18","0.01","86.98","0.01","1035.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O6 P2 -","- C18 H26 O6 P2 -","- C36 H52 O12 P4 -","2","1","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.187","0.0461","","","0.0757","0.0938","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508221","9.273","0.002","14.141","0.003","8.801","0.002","90","","102.68","0.01","90","","1125.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O6 P2 -","- C20 H30 O6 P2 -","- C40 H60 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.3023","0.0755","","","0.1116","0.1681","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508222","19.3095","0.0004","19.3095","0.0004","11.513","0.0004","90","","90","","120","","3717.59","0.17","100","","100","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge0.2172 O Si0.2827 -","- Ge0.21723 O Si0.28283 -","- Ge19.9852 O92 Si26.0204 -","92","3.83333","","Liu, Leifeng; Yu, Zheng-Bao; Chen, Hong; Deng, Youqian; Lee, Bao-Lin; Sun, Junliang","Disorder in Extra-Large Pore Zeolite ITQ-33 Revealed by Single Crystal XRD","Crystal Growth & Design","2013","13","10","4168","","10.1021/cg400880a","","","0.6889","synchrotron","","0.0729","0.0705","","","0.2219","0.2252","","","","","","1.233","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508223","14.164","0.005","14.164","0.005","34.886","0.013","90","","90","","90","","6999","4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H68 Cl4 N24 Ni4 O8 -","- C60 H60 Cl4 N24 Ni4 O8 -","- C240 H240 Cl16 N96 Ni16 O32 -","4","0.25","","Moustapha-Sow, Mouhamadou; Diouf, Ousmane; Gaye, Mohamed; Salam-Sall, Abdou; Castro, Goretti; Pérez-Lourido, Paulo; Valencia, Laura; Caneschi, Andrea; Sorace, Lorenzo","Sheets of Tetranuclear Ni(II) [2 ×2] Square Grids Structure with Infinite Orthogonal Two-Dimensional Water‒Chlorine Chains","Crystal Growth & Design","2013","13","10","4172","","10.1021/cg400885f","","","0.71073","MoKα","","0.2216","0.089","","","0.2379","0.338","","","","","","1.03","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508224","15.772","0.002","15.772","0.002","16.2","0.003","90","","90","","120","","3489.9","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C33 H33 Co2 N3 O19 Ti -","- C33 H24 Co2.01 N3 O19 Ti0.99 -","- C66 H48 Co4.02 N6 O38 Ti1.98 -","2","0.166667","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.62001","Synchrotron","","0.098","0.097","","","0.2896","0.2901","","","","","","1.129","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508225","12.753","0.0018","12.753","0.0018","18.546","0.004","90","","90","","120","","2612.2","0.8","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H18 Co2 O19 Ti -","- C24 H6 Co2.01 O19 Ti0.99 -","- C48 H12 Co4.02 O38 Ti1.98 -","2","0.333333","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.70001","Synchrotron","","0.0735","0.0646","","","0.173","0.1814","","","","","","0.993","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508226","12.1207","0.0006","3.80651","0.00013","13.1647","0.0006","90","","115.478","0.006","90","","548.32","0.05","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,5-trihydroxybenzene","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","","","0.71073","MoKα","","0.0445","0.0334","","","0.08","0.0845","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508227","24.6058","0.0006","24.6058","0.0006","3.8524","0.0003","90","","90","","90","","2332.4","0.2","298","2","298","2","","","","","","","","3","P 42/n :2","-P 4bc","86","pyrogallol_tetartohydrate","1,2,3-trihydroxybenzene","","- C24 H26 O13 -","- C24 H24 O13 -","- C96 H96 O52 -","4","0.5","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","powder diffraction","","1.54056","","","","","","","","","","","3.05","","","","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508228","7.7147","0.0007","14.2718","0.0014","12.3156","0.0011","90","","90","","90","","1356","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0299","0.0275","","","0.0751","0.0768","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508229","7.702","0.0003","14.275","0.0006","12.2064","0.0005","90","","90","","90","","1342.05","0.09","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 O3 V -","- C10 H12 Cu F5 N2 O3 V -","- C40 H48 Cu4 F20 N8 O12 V4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0192","0.0178","","","0.0523","0.0532","","","","","","1.111","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508230","7.8427","0.0003","14.319","0.0005","12.3773","0.0004","90","","90","","90","","1389.97","0.08","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 Nb O3 -","- C10 H12 Cu F5.01 N2 Nb O2.99 -","- C40 H48 Cu4 F20.04 N8 Nb4 O11.96 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0237","0.0214","","","0.0571","0.0583","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508231","7.8477","0.0001","14.2825","0.0003","12.2493","0.0002","90","","90","","90","","1372.96","0.04","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F4 Mo N2 O4 -","- C10 H12 Cu F4 Mo N2 O4 -","- C40 H48 Cu4 F16 Mo4 N8 O16 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0182","0.0179","","","0.0507","0.0513","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508232","7.6419","0.0003","14.4551","0.0006","12.5756","0.0005","90","","90","","90","","1389.16","0.1","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 Mo N2 O4 Zn -","- C10 H12 F3.99 Mo N2 O4.01 Zn -","- C40 H48 F15.96 Mo4 N8 O16.04 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0236","0.0209","","","0.0537","0.0558","","","","","","1.106","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508233","7.623","0.0004","14.4632","0.0007","12.6904","0.0006","90","","90","","90","","1399.15","0.12","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 N2 O4 W Zn -","- C10 H12 F3.99 N2 O4.01 W Zn -","- C40 H48 F15.96 N8 O16.04 W4 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0346","0.0293","","","0.0747","0.0774","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508234","9.8392","0.0012","21.748","0.003","15.1973","0.0016","90","","111.277","0.006","90","","3030.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 In N3 O9 -","- C29 H30 In N3 O9 -","- C116 H120 In4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1098","0.0482","","","0.0899","0.1095","","","","","","0.949","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508235","9.9183","0.0016","22.93","0.004","15.082","0.003","90","","103.957","0.003","90","","3328.8","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H71 In2 N7 O21 -","- C61 H67 In2 N7 O21 -","- C122 H134 In4 N14 O42 -","2","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.136","0.0722","","","0.1734","0.2104","","","","","","1.009","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508236","15.972","0.002","21.984","0.003","20.09","0.003","90","","113.194","0.002","90","","6484","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 Cd2 N8 O18 -","- C62 H76 Cd2 N8 O18 -","- C248 H304 Cd8 N32 O72 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.173","0.0643","","","0.1419","0.1891","","","","","","0.994","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508237","10.0732","0.0006","26.6408","0.0015","14.5918","0.0007","90","","110.73","0.003","90","","3662.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cd N3 O9 -","- C32 H39 Cd N3 O9 -","- C128 H156 Cd4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.0692","0.0466","","","0.1234","0.1347","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508238","15.392","0.003","10.296","0.002","25.544","0.004","90","","114.597","0.01","90","","3680.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 Cd2 N7 O22 -","- C70 H76 Cd2 N7 O22 -","- C140 H152 Cd4 N14 O44 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1305","0.0605","","","0.1286","0.1569","","","","","","0.983","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508239","10.2101","0.0011","21.649","0.002","15.8443","0.0014","90","","110.692","0.006","90","","3276.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 Cd2 N7 O18 -","- C63 H30 Cd2 N7 O18 -","- C126 H60 Cd4 N14 O36 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.146","0.0792","","","0.2273","0.288","","","","","","1.034","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508240","43.0209","0.0002","43.0209","0.0002","43.0209","0.0002","90","","90","","90","","79623","0.6","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C426 H710 Cu24 N110 Na12 O266 S24 -","- C200 H96 Cu24 N24 O192 S24 -","- C800 H384 Cu96 N96 O768 S96 -","4","0.0208333","","Wei, Wei; Li, Wanlong; Wang, Xingzhu; He, Jieya","A Designed Three-Dimensional Porous Hydrogen-Bonding Network Based on a Metal‒Organic Polyhedron","Crystal Growth & Design","2013","13","9","3843","","10.1021/cg4009152","","","1.54178","CuKα","","0.087","0.08","","","0.2518","0.2644","","","","","","1.119","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508241","18.609","0.004","28.378","0.008","14.152","0.003","90","","90","","90","","7473","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H32 Cu2 I2 N8 O4 -","- C30 H32 Cu2 I2 N8 O4 -","- C240 H256 Cu16 I16 N64 O32 -","8","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1023","0.0608","","","0.1703","0.1871","","","","","","1.178","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508242","26.158","0.004","10.0274","0.0014","15.632","0.002","90","","100.489","0.004","90","","4031.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu4 I4 N8 O4 -","- C30 H32 Cu4 I4 N8 O4 -","- C120 H128 Cu16 I16 N32 O16 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0822","0.0732","","","0.2062","0.2102","","","","","","1.593","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508243","29.52","0.003","10.9641","0.0009","29.373","0.003","90","","118.061","0.004","90","","8389.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 Cu2 F24 N16 O17 P4 -","- C60 H64 Cu2 F24 N16 O17 P4 -","- C240 H256 Cu8 F96 N64 O68 P16 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1509","0.1111","","","0.2897","0.303","","","","","","1.98","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508244","10.6903","0.0019","15.235","0.003","25.04","0.004","90","","90","","90","","4078.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Cl2 Cu N8 O16 -","- C30 H32 Cl Cu N8 O12 -","- C120 H128 Cl4 Cu4 N32 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.105","0.0802","","","0.2165","0.2259","","","","","","1.438","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508245","12.3335","0.0009","12.3335","0.0009","18.836","0.003","90","","90","","90","","2865.2","0.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C38 H64 Cl2 Cu N8 O20 -","- C34 H40 Cu N8 O6 -","- C68 H80 Cu2 N16 O12 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0623","0.0423","","","0.1121","0.1208","","","","","","0.776","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508246","28.15","0.003","7.2986","0.0007","19.3436","0.0019","90","","120.267","0.002","90","","3432.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 Co N8 O14 -","- C30 H32 Cl2 Co N8 O14 -","- C120 H128 Cl8 Co4 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0529","0.0393","","","0.1239","0.1335","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508247","28.692","0.0014","7.2297","0.0004","19.8774","0.001","90","","120.72","0.001","90","","3544.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd Cl2 N8 O14 -","- C30 H32 Cd Cl2 N8 O14 -","- C120 H128 Cd4 Cl8 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0343","0.0309","","","0.104","0.1082","","","","","","0.934","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508248","20.788","0.004","9.4376","0.0016","24.302","0.006","90","","114.416","0.005","90","","4341.4","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Cu F12 N8 O8 P2 -","- C34 H40 Cu N8 O8 -","- C136 H160 Cu4 N32 O32 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1171","0.0619","","","0.1502","0.1736","","","","","","0.864","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508249","21.256","0.003","12.0891","0.0017","17.086","0.002","90","","90","","90","","4390.5","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C37 H45 Cl2 Cu N9 O16 -","- C37 H37 Cl2 Cu N9 O16 -","- C148 H148 Cl8 Cu4 N36 O64 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1079","0.073","","","0.1764","0.1925","","","","","","1.184","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508250","23.545","0.003","11.866","0.0015","16.909","0.002","90","","110.064","0.004","90","","4437.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Cu N9 O18 -","- C36 H37 Cl2 Cu N9 O18 -","- C144 H148 Cl8 Cu4 N36 O72 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1303","0.0793","","","0.1879","0.2095","","","","","","1.158","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508251","3.843","0.0003","6.2681","0.0004","15.9607","0.0012","93.547","0.005","96.858","0.006","94.011","0.005","379.82","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.54178","CuKα","","0.0645","0.0556","","","0.1549","0.1646","","","","","","1.058","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508252","6.529","0.0004","3.775","0.0002","31.1015","0.0018","90","","91.25","0.004","90","","766.38","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0597","0.0513","","","0.1442","0.1518","","","","","","1.096","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508253","7.6159","0.0005","8.6685","0.0004","15.1547","0.0009","77.057","0.005","77.346","0.005","74.73","0.005","926.91","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 F2 O6 -","- C20 H18 F2 O6 -","- C40 H36 F4 O12 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0859","0.052","","","0.1244","0.1474","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508254","8.948","0.004","10.202","0.004","18.399","0.008","92.234","0.005","99.486","0.005","105.651","0.005","1589","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag N3 O13 S2 Sm -","- C29 H23 Ag N3 O13 S2 Sm -","- C58 H46 Ag2 N6 O26 S4 Sm2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0852","0.0634","","","0.1545","0.1736","","","","","","1.014","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508255","8.819","0.0009","10.1316","0.001","18.4266","0.0018","92.395","0.001","99.615","0.001","105.244","0.001","1559.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Er N3 O13 S2 -","- C29 H23 Ag Er N3 O13 S2 -","- C58 H46 Ag2 Er2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0618","0.0576","","","0.146","0.1498","","","","","","0.997","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508256","9.1855","0.0013","9.8587","0.0014","18.413","0.003","96.172","0.002","99.566","0.002","108.848","0.002","1532.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Ce N3 O13 S2 -","- C29 H23 Ag Ce N3 O13 S2 -","- C58 H46 Ag2 Ce2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0492","0.0435","","","0.1131","0.1185","","","","","","1.018","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508257","11.1247","0.0018","14.592","0.002","16.648","0.003","97.718","0.002","92.917","0.002","91.768","0.002","2672.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 Ag3 N8 O17 S4 Tb -","- C54 H36 Ag3 N8 O17 S4 Tb -","- C108 H72 Ag6 N16 O34 S8 Tb2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.1215","0.0659","","","0.1593","0.2484","","","","","","1.047","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508258","8.054","0.0005","8.1481","0.0005","15.0119","0.0009","77.109","0.002","83.559","0.001","64.061","0.001","863.46","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0517","0.0465","","","0.1233","0.1312","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508259","9.8561","0.0005","9.9591","0.0005","10.7056","0.0005","68.377","0.001","86.897","0.001","62.73","0.001","859.91","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0604","0.0561","","","0.1518","0.1575","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508260","12.916","0.012","3.97","0.003","11.831","0.01","90","","104.755","0.014","90","","586.6","0.9","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Mn S7 -","- Bi4 Mn S7 -","- Bi8 Mn2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0686","0.037","","","0.0674","0.0826","","","","","","0.805","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508261","12.823","0.019","3.987","0.006","11.878","0.018","90","","104.38","0.02","90","","588.2","1.5","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Fe S7 -","- Bi4 Fe S7 -","- Bi8 Fe2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0528","0.042","","","0.0937","0.0997","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508262","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H32 N6 Ni2 O14 -","- C34 H20 N6 Ni2 O14 -","- C136 H80 N24 Ni8 O56 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0718","0.0677","","","0.1977","0.2041","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508263","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0404","0.0376","","","0.1036","0.1052","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508264","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0834","0.0709","","","0.2299","0.2465","","","","","","1.064","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508265","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0643","0.0541","","","0.1636","0.1703","","","","","","1.053","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508266","6.8456","0.0005","14.4051","0.001","20.891","0.0014","90","","103.566","0.003","90","","2002.6","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 Fe N4 -","- C24 H14 F4 Fe N4 -","- C96 H56 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0514","0.0474","","","0.132","0.1342","","","","","","1.231","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508267","6.8934","0.0006","23.198","0.002","13.9021","0.0013","90","","94.965","0.002","90","","2214.8","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C104 H72 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0714","0.0475","","","0.1078","0.1184","","","","","","1.012","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508268","6.908","0.0009","12.2607","0.0015","15.056","0.003","111.163","0.003","98.851","0.003","96.721","0.002","1154.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C52 H36 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0942","0.0554","","","0.1269","0.1451","","","","","","1.021","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508269","6.837","0.002","11.958","0.003","15.743","0.006","67.695","0.005","85.907","0.006","80.367","0.004","1174","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F4 Fe N4 -","- C27 H20 F4 Fe N4 -","- C54 H40 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0937","0.0556","","","0.1288","0.1463","","","","","","1.017","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508270","8.7871","0.0013","12.7926","0.0019","15.286","0.002","90.751","0.003","104.949","0.002","90.639","0.002","1659.8","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 F4 Fe N8 -","- C38 H22 F4 Fe N8 -","- C76 H44 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1322","0.0665","","","0.1188","0.1406","","","","","","0.999","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508271","8.8034","0.001","12.8426","0.0015","15.2449","0.0017","89.342","0.002","76.634","0.002","89.102","0.002","1676.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 F4 Fe N8 -","- C39 H24 F4 Fe N8 -","- C78 H48 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1429","0.0574","","","0.1121","0.1438","","","","","","0.948","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508272","6.6911","0.0004","15.5049","0.001","31.364","0.002","90","","93.053","0.001","90","","3249.2","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Fe N8 -","- C40 H30 Fe N8 -","- C160 H120 Fe4 N32 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0586","0.0503","","","0.1455","0.1539","","","","","","1.177","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508273","7.675","0.002","14.563","0.004","28.821","0.007","86.928","0.003","89.697","0.004","79.129","0.004","3159","1.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 Fe N8 -","- C38 H26 Fe N8 -","- C152 H104 Fe4 N32 -","4","2","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1627","0.0683","","","0.1204","0.1572","","","","","","0.94","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508274","7.5255","0.0006","7.6535","0.0006","13.4176","0.0011","101.755","0.002","93.869","0.002","94.593","0.002","751.38","0.1","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Fe N8 -","- C35.998 H21.994 Fe N8 -","- C35.998 H21.994 Fe N8 -","1","0.5","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0476","0.0434","","","0.1133","0.1173","","","","","","1.062","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508275","6.8248","0.0012","13.871","0.003","16.678","0.003","90","","90","","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 O10 Zn -","- C12 H14 N4 O10 Zn -","- C48 H56 N16 O40 Zn4 -","4","0.5","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole–Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0313","0.0268","","","0.0714","0.0747","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508276","13.037","0.003","11.604","0.003","13.35","0.003","90","","115.572","0.002","90","","1821.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N4 O11 Sm Zn -","- C12 H13 N4 O11 Sm Zn -","- C48 H52 N16 O44 Sm4 Zn4 -","4","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0488","0.0473","","","0.1379","0.139","","","","","","1.076","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508277","24.1908","0.0019","9.1472","0.0007","18.9567","0.0015","90","","114.252","0.001","90","","3824.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Eu N4 O12.5 Zn -","- C12 H16 Eu N4 O12.5 Zn -","- C96 H128 Eu8 N32 O100 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0337","0.03","","","0.0866","0.0893","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508278","24.399","0.005","9.2236","0.0019","19.186","0.004","90","","114.052","0.002","90","","3942.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Gd N4 O10 Zn -","- C12 H10 Gd N4 O10 Zn -","- C96 H80 Gd8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0621","0.0429","","","0.1058","0.1132","","","","","","1.09","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508279","24.368","0.017","9.214","0.006","19.198","0.013","90","","114.289","0.007","90","","3929","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O11.5 Tb Zn -","- C12 H14 N4 O11.5 Tb Zn -","- C96 H112 N32 O92 Tb8 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0267","0.0233","","","0.0592","0.0606","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508280","24.293","0.002","9.1816","0.0007","19.0218","0.0015","90","","114.22","0.001","90","","3869.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Dy N4 O12 Zn -","- C12 H11 Dy N4 O10 Zn -","- C96 H88 Dy8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0399","0.029","","","0.0644","0.0684","","","","","","0.976","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508281","10.416","0.002","6.6732","0.0015","21.761","0.005","90","","98.927","0.004","90","","1494.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu2 N4 O16 P2 -","- C24 H30 Cu2 N4 O16 P2 -","- C48 H60 Cu4 N8 O32 P4 -","2","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0676","0.0426","","","0.1011","0.1094","","","","","","1.036","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508282","8.319","0.003","10.378","0.004","10.819","0.004","91.526","0.006","90.96","0.007","93.443","0.007","931.9","0.6","301","2","301","2","","","","","","","","6","P -1","-P 1","2","Cu-bpy-HEDP","","","- C12 H20 Cu N2 O10 P2 -","- C12 H20 Cu N2 O10 P2 -","- C24 H40 Cu2 N4 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.1224","0.1206","","","0.2509","0.2516","","","","","","1.485","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508283","7.295","0.0001","9.961","0.0003","14.531","0.0004","100.03","0.0012","90.062","0.0017","94.544","0.0016","1036.38","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H24 Cl Cu N3 O10 P2 -","- C13 H24 Cl Cu N3 O10 P2 -","- C26 H48 Cl2 Cu2 N6 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0299","0.0265","","","0.098","0.1021","","","","","","0.881","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508284","34.323","0.0005","11.038","0.0002","13.426","0.0002","90","","111.099","0.0008","90","","4745.54","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cl Cu N3 O11 P2 -","- C14 H28 Cl Cu N3 O11 P2 -","- C112 H224 Cl8 Cu8 N24 O88 P16 -","8","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0365","0.0284","","","0.0947","0.1023","","","","","","0.825","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508285","9.558","0.0001","10.064","0.0002","10.945","0.0002","114.887","0.0009","93.444","0.001","90.887","0.0009","952.36","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","1","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0285","0.0259","","","0.1","0.1025","","","","","","0.906","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508286","46.2653","0.0005","46.2653","0.0005","15.95404","0.00018","90","","90","","120","","29574.1","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40 H54 Mn4 N2 O22 -","- C40 H54 Mn4 N2 O22 -","- C720 H972 Mn72 N36 O396 -","18","1","","Dulcevscaia, Galina; Liu, Shi-Xia; Hauser, Jörg; Krämer, Karl W.; Frei, Gabriela; Müller, Andreas; Decurtins, Silvio","A Benzaldehyde Derivative as a Chelating Ligand: Helical Manganese(II) Coordination Polymers Assembling into a Porous Solid","Crystal Growth & Design","2013","13","9","4138","","10.1021/cg400972k","","","0.71073","MoKα","","0.0623","0.0503","","","0.1294","0.1355","","","","","","1.091","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508287","6.7916","0.001","10.8568","0.0015","16.137","0.003","90","","96.622","0.018","90","","1181.9","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N8 O12 S2 -","- C16 H24 N8 O12 S2 -","- C32 H48 N16 O24 S4 -","2","0.5","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0653","0.0495","","","0.1024","0.1098","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508288","8.1287","0.0011","27.0318","0.0014","10.8606","0.0004","90","","99.894","0.006","90","","2350.9","0.4","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 Na2 O16.18 S2 -","- C14 H8 N2 Na2 O16.177 S2 -","- C56 H32 N8 Na8 O64.708 S8 -","4","1","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0546","0.0454","","","0.1189","0.1249","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508289","4.4077","0.0005","5.8495","0.0006","12.9648","0.0013","90.061","0.002","92.99","0.002","97.233","0.002","331.15","0.06","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","E,E-1,4-diiodobuta-1,3-diene","","- C4 H4 I2 -","- C4 H4 I2 -","- C8 H8 I4 -","2","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0336","0.0312","","","0.0838","0.0851","","","","","","1.243","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508290","8.1332","0.0015","10.967","0.002","13.866","0.003","90","","90.556","0.004","90","","1236.7","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 90K","","","- C5 H14 I N6 O3 -","- C5 H14 I N6 O3 -","- C20 H56 I4 N24 O12 -","4","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0535","0.0527","","","0.1485","0.1488","","","","","","1.177","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508291","8.2184","0.0012","11.0206","0.0015","13.9866","0.0019","90","","90.387","0.003","90","","1266.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 298K","","","- C10 H28 I2 N12 O6 -","- C10 H28 I2 N12 O6 -","- C20 H56 I4 N24 O12 -","2","0.5","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0595","0.0524","","","0.1487","0.1533","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508292","7.082","0.0004","9.4394","0.0005","9.9426","0.0006","70.354","0.002","69.519","0.002","83.639","0.002","586.38","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-43-6 1-bromo-4-iodotetrafluorobenzene, (2,3,5,6-tetramethylpyrazine)2","","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0387","0.0344","","","0.0853","0.0877","","","","","","1.042","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508293","13.6678","0.0007","13.8355","0.0008","11.3735","0.0006","90","","104.064","0.002","90","","2086.3","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-6 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 2,3,5,6-Me4-pyridine","","- C20 H12 Br F8 I N2 -","- C20 H12 Br F8 I N2 -","- C80 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0351","0.0291","","","0.0731","0.0759","","","","","","1.021","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508294","14.121","0.006","4.3893","0.0017","14.377","0.006","90","","109.448","0.006","90","","840.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","J3 1-bromo-4-iodotetrafluorobenzene, 2,3,5,6-Me4-pyridine-1-oxide","","- C14 H12 Br F4 I N2 O -","- C14 H12 Br F4 I N2 O -","- C28 H24 Br2 F8 I2 N4 O2 -","2","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0546","0.049","","","0.1073","0.1104","","","","","","1.145","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508295","4.0681","0.0003","13.2198","0.0009","16.416","0.0011","107.014","0.004","91.675","0.003","98.09","0.004","833.49","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","J1 1-bromo-4-iodotetrafluorobenzene, 4,4'-bipyridyl-1-oxide","","- C16 H8 Br F4 I N2 O -","- C16 H8 Br F4 I N2 O -","- C32 H16 Br2 F8 I2 N4 O2 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0814","0.0447","","","0.0845","0.0981","","","","","","1.138","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508296","9.1185","0.0007","10.8775","0.0009","13.8025","0.0011","80.633","0.003","71.005","0.003","83.608","0.004","1274.71","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-11 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 1-[(4-pyridyl)methyl]-5,6-dimethylbenzimidazole","","- C27 H15 Br F8 I N3 -","- C27 H15 Br F8 I N3 -","- C54 H30 Br2 F16 I2 N6 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0436","0.0355","","","0.0851","0.0887","","","","","","1.064","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508297","7.785","0.0005","11.3455","0.0007","12.8117","0.0009","114.949","0.003","95.31","0.003","90.597","0.003","1020.06","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-2 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(dimethylamino)pyridine","","- C19 H10 Br F8 I N2 -","- C19 H10 Br F8 I N2 -","- C38 H20 Br2 F16 I2 N4 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0569","0.0459","","","0.1145","0.1202","","","","","","1.046","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508298","13.3208","0.0008","23.806","0.0014","7.8323","0.0004","90","","123.017","0.003","90","","2082.6","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-3 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(1-pyrrolidinyl)-pyridine","","- C21 H12 Br F8 I N2 -","- C21 H12 Br F8 I N2 -","- C84 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0558","0.0435","","","0.1073","0.1137","","","","","","1.028","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508299","7.1847","0.0007","25.234","0.003","8.0401","0.0008","90","","107.157","0.005","90","","1392.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-3-86a N-(4-I-phenyl)-4-Br-F4-benzamide","","- C13 H5 Br F4 I N O -","- C13 H5 Br F4 I N O -","- C52 H20 Br4 F16 I4 N4 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0692","0.0525","","","0.1269","0.1387","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508300","4.6568","0.0003","11.0639","0.0006","12.2258","0.0007","98.373","0.002","100.443","0.002","97.995","0.002","603.94","0.06","120","2","120","2","","","","","","","","7","P 1","P 1","1","","PC-4-55-8 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethylene","","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","1","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0522","0.0518","","","0.1298","0.1302","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508301","15.2758","0.0008","7.9588","0.0004","20.3245","0.001","90","","99.899","0.002","90","","2434.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-4-55-5 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethane","","- C25 H13 Br F8 I N3 O -","- C25 H13 Br F8 I N3 O -","- C100 H52 Br4 F32 I4 N12 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0527","0.0371","","","0.0947","0.103","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508302","4.7774","0.0007","7.9111","0.001","25.928","0.004","89.199","0.008","85.294","0.009","75.073","0.008","943.6","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","PC-4-55-6 (4-Br-F4-phenyl)-4-I-F4-benzamide, 4,4-bipyridyl","","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.127","0.0842","","","0.1864","0.2117","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508303","6.324","0.003","7.841","0.004","9.197","0.005","90.438","0.007","105.955","0.007","105.059","0.007","421.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0374","0.0306","","0.0669","0.062","0.0594","","","","","","0.9827","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508304","9.024","0.005","9.571","0.005","12.313","0.005","68.243","0.005","73.643","0.005","82.752","0.005","947.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O14 Se2 V2 -","- C8 H20 N2 O14 Se2 V2 -","- C16 H40 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0233","0.0224","","0.0668","0.0657","0.0651","","","","","","1.0433","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508305","6.3369","0.0016","8.509","0.002","9.413","0.002","95.363","0.003","108.245","0.003","105.236","0.003","456.46","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0298","0.0271","","0.0791","0.0773","0.0766","","","","","","0.9129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508306","6.378","0.007","8.444","0.007","9.405","0.008","92.26","0.016","107.27","0.03","107.84","0.02","455.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0205","0.0189","","0.0476","0.0468","0.0464","","","","","","1.006","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508307","6.322","0.0008","8.5056","0.0011","9.397","0.0012","95.3642","0.0019","108.267","0.0017","105.122","0.0018","454.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0547","0.0451","","0.0966","0.0932","0.0902","","","","","","1.1392","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508308","9.29","0.003","9.723","0.003","11.28","0.003","110.687","0.004","90.346","0.004","114.511","0.004","853.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.066","0.0432","","0","0","0.0781","","","","","","1.0108","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508309","9.2248","0.0002","11.2499","0.0003","9.3512","0.0002","90","","116.378","0.0015","90","","869.41","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0387","0.0239","","0.058","0.0543","0.0532","","","","","","0.9636","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508310","9.227","0.005","11.244","0.005","9.362","0.005","90","","116.077","0.005","90","","872.4","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0573","0.0384","","0.0866","0.0774","0.0733","","","","","","0.8758","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508311","9.225","0.0015","11.2463","0.0018","9.3681","0.0015","90","","116.074","0.002","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0473","0.0346","","0.0952","0.0802","0.0737","","","","","","0.91","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508312","36.094","","12.017","","26.253","","90","","116.11","","90","","10225","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H73 N3 O7 -","- C54 H73 N3 O7 -","- C432 H584 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.2241","0.1702","","","0.4374","0.4506","","","","","","2.845","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508313","36.004","0.001","12.039","0.0005","26.561","0.001","90","","115.979","0.002","90","","10349.6","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","IOBP54","","","- C55 H75 N3 O7 -","- C55 H75 N3 O7 -","- C440 H600 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.203","0.118","","","0.273","0.312","","","","","","1.02","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508314","14.1759","0.0014","14.8525","0.0014","10.514","0.0011","90","","97.91","0.02","90","","2192.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(N3)2(Me3en)]n","","","- C10 H28 Cd2 N16 -","- C10 H28 Cd2 N16 -","- C40 H112 Cd8 N64 -","4","1","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0577","0.0451","","","0.0939","0.0992","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508315","9.5324","0.0009","26.1975","0.0018","7.8996","0.0006","90","","111.624","0.017","90","","1833.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(QUIN-R)(N3)2]2","","","- C36 H38 Cd2 N18 -","- C36 H38 Cd2 N18 -","- C72 H76 Cd4 N36 -","2","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0443","0.0397","","","0.0854","0.0872","","","","","","1.166","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508316","8.5266","0.0008","8.7729","0.0009","11.163","0.0013","76.051","0.017","74.229","0.018","80.68","0.02","775.73","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Cd(MeDPA)(N3)2]2","","","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","1","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.019","0.0187","","","0.0457","0.0459","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508317","6.932","0.005","10.526","0.007","11.729","0.008","90","","90","","90","","855.8","1","293","2","293.15","","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H7 Br2 N S -","- C5 H7 Br2 N S -","- C20 H28 Br8 N4 S4 -","4","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0315","","","","0.0535","","","","","","0.815","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508318","8.458","0.002","32.333","0.007","6.573","0.0016","93.159","0.003","105.191","0.003","90.361","0.003","1731.7","0.7","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 I N Ni2 S21 -","- C17 H7 I N Ni2 S21 -","- C34 H14 I2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0336","","","","0.0798","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508319","17.171","0.003","19.413","0.003","6.5771","0.0011","104.896","0.006","96.941","0.007","75.535","0.007","2047.8","0.6","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","1","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0591","","","","0.1691","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508320","8.4145","0.0002","32.4067","0.0014","6.561","0.0001","93.383","0.005","106.376","0.004","89.798","0.006","1713.36","0.1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 Br N Ni2 S21 -","- C17 H7 Br N Ni2 S21 -","- C34 H14 Br2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0318","","","","0.0746","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508321","13.849","0.004","24.297","0.006","7.644","0.002","90","","90","","90","","2572.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H70.5 N2 O14.25 -","- C50 H70.52 N2 O14.25 -","- C100 H141.04 N4 O28.5 -","2","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1441","0.0948","","","0.2304","0.2695","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508322","12.3744","0.0003","17.4418","0.0005","16.2582","0.0005","90","","94.469","0.002","90","","3498.37","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 K2 O15 -","- C36 H36 K2 O15 -","- C144 H144 K8 O60 -","4","1","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.0617","0.0491","","","0.1278","0.1351","","","","","","1.029","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508323","30.8147","0.0005","19.4575","0.0003","17.468","0.0003","90","","90","","90","","10473.4","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C111 H110 O42 Rb4 -","- C111 H106 O42 Rb4 -","- C444 H424 O168 Rb16 -","4","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1717","0.0773","","","0.1597","0.1877","","","","","","1.078","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508324","29.4749","0.0007","29.4749","0.0007","6.1687","0.0003","90","","90","","120","","4641.2","0.3","100","","100","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C108 H144 B36 O72 -","18","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.1447","0.0506","","","0.0646","0.0722","","","","2.49","2.49","1.78","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508325","11.2581","0.0006","5.1451","0.0003","16.8214","0.001","90","","92.438","0.003","90","","973.48","0.1","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H12 B2 O6 -","- C6 H12 B2 O6 -","- C24 H48 B8 O24 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0931","0.0377","","","0.0328","0.0362","","","","1.56","1.56","1.29","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508326","5.8016","0.0004","11.9737","0.0007","11.5439","0.0006","90","","95.392","0.005","90","","798.37","0.08","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C24 H32 B8 O16 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0539","0.0249","","","0.0284","0.0323","","","","1.39","1.39","1.26","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508327","11.0142","0.0003","13.8001","0.0005","13.9728","0.0004","109.523","0.003","108.236","0.003","93.482","0.003","1868.49","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 B2 Cu6 Fe2 N30 O8 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","1","0.5","","Mondal, Abhishake; Dassié Pierre-Igor; Chamoreau, Lise-Marie; Journaux, Yves; Julve, Miguel; Lisnard, Laurent; Lescouëzec, Rodrigue","Combining Cyanometalates and Coordination Clusters: An Alternative Synthetic Route toward Original Molecular Materials","Crystal Growth & Design","2013","13","10","4190","","10.1021/cg401117u","","","0.6683","synchrotron","","0.0649","0.053","","","0.1488","0.1575","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508328","14.3611","0.0005","12.8622","0.0004","15.1403","0.0005","90","","96.862","0.003","90","","2776.61","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 O8 Zn2 -","- C28 H36 O8 Zn2 -","- C112 H144 O32 Zn8 -","4","1","","Aiyappa, Harshitha Barike; Pachfule, Pradip; Banerjee, Rahul; Kurungot, Sreekumar","Porous Carbons from Nonporous MOFs: Influence of Ligand Characteristics on Intrinsic Properties of End Carbon","Crystal Growth & Design","2013","13","10","4195","","10.1021/cg401122u","","","0.71073","MoKα","","0.0608","0.041","","","0.1231","0.1472","","","","","","0.858","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508329","8.946","0.0007","14.928","0.0013","15.233","0.0015","106.191","0.002","98.17","0.001","99.793","0.001","1886.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1961","0.0835","","","0.1933","0.246","","","","","","0.849","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508330","15.5125","0.0017","21.9149","0.0012","16.3766","0.0016","90","","116.89","0.002","90","","4965.3","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H63 Cl3 Mn2 N17 O -","- C87 H63 Cl3 Mn2 N17 O -","- C174 H126 Cl6 Mn4 N34 O2 -","2","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1638","0.0783","","","0.203","0.2301","","","","","","1.054","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508331","7.2141","0.001","21.907","0.003","31.377","0.004","99.682","0.002","93.042","0.002","98.493","0.002","4819.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H88 Cu4 N16 O20 -","- C99 H88 Cu4 N16 O20 -","- C198 H176 Cu8 N32 O40 -","2","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1136","0.08","","","0.2235","0.2446","","","","","","1.053","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508332","17.2782","0.0012","20.2243","0.0011","38.877","0.003","90","","107.404","0.002","90","","12963.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H68 N16 O8 Zn3 -","- C92 H68 N16 O8 Zn3 -","- C368 H272 N64 O32 Zn12 -","4","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1465","0.0725","","","0.1749","0.1952","","","","","","1.018","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508333","9.2341","0.001","11.853","0.0012","21.174","0.002","80.509","0.001","84.605","0.001","87.389","0.002","2274.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1296","0.086","","","0.2051","0.247","","","","","","1.026","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508334","14.1354","0.0005","21.1391","0.0007","14.212","0.0005","90","","90","","90","","4246.7","0.3","100","2","100","2","","","","","","","","2","P b c m","-P 2c 2b","57","D5h-C90.CS2","","","- C91 S2 -","- C91 S2 -","- C364 S8 -","4","0.5","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.0955","0.0873","","","0.2354","0.2387","","","","","","1.157","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508335","10.1998","0.0004","14.254","0.0006","14.3062","0.0006","86.279","0.003","73.297","0.002","89.643","0.003","1987.82","0.14","90","2","90","2","","","","","","","","2","P -1","-P 1","2","C70 3CS2","C70 3CS2","","- C73 S6 -","- C73 S6 -","- C146 S12 -","2","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","1.54178","CuKα","","0.0842","0.0815","","","0.2453","0.2471","","","","","","1.129","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508336","19.2587","0.0011","19.5039","0.0011","19.8293","0.0011","90","","106.076","0.004","90","","7157","0.7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2C70, 3CS2 solvate","","","- C143 S6 -","- C143 S6 -","- C572 S24 -","4","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.1107","0.1055","","","0.2577","0.2604","","","","","","1.151","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508337","6.249","0.004","12.774","0.006","11.848","0.005","90","","111.29","0.03","90","","881.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0576","0.0526","","","0.1762","0.18","","","","","","1.117","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508338","9.356","0.006","9.541","0.005","11.672","0.006","90","","121.72","0.04","90","","886.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0682","0.061","","","0.1587","0.1665","","","","","","1.122","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508339","7.47","0.003","16.818","0.004","11.912","0.005","90","","121.09","0.03","90","","1281.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0633","0.0603","","","0.1633","0.1674","","","","","","1.115","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508340","6.536","0.006","10.844","0.009","14.095","0.011","90","","103.17","0.05","90","","972.7","1.4","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C32 H56 N8 O16 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.1067","0.0459","","","0.1135","0.126","","","","","","0.907","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508341","10.335","0.005","27.054","0.005","15.012","0.005","90","0.005","99.885","0.005","90","0.005","4135","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N2 O4 Sn2 -","- C38 H62 N2 O4 Sn2 -","- C152 H248 N8 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0745","0.0604","","","0.1576","0.174","","","","","","1.05","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508342","6.915","0.005","12.362","0.005","27.938","0.005","90","0.005","96.11","0.005","90","0.005","2375","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O5 Sn2 -","- C20 H28 N2 O5 Sn2 -","- C80 H112 N8 O20 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0639","0.0421","","","0.0901","0.1012","","","","","","1.007","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508343","18.736","0.005","11.368","0.005","31.72","0.005","90","0.005","97.254","0.005","90","0.005","6702","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 N3 O4 Sn -","- C38 H39 N3 O4 Sn -","- C304 H312 N24 O32 Sn8 -","8","2","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.1001","0.0547","","","0.1141","0.1506","","","","","","1.024","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508344","17.2783","0.0014","19.6504","0.0014","16.1383","0.0013","90","","93.623","0.002","90","","5468.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43.5 H43 N4.5 O11.25 Zn2 -","- C43.5 H43 N4.5 O11.25 Zn2 -","- C174 H172 N18 O45 Zn8 -","4","0.5","","Hu, Zhichao; Pramanik, Sanhita; Tan, Kui; Zheng, Chong; Liu, Wei; Zhang, Xiao; Chabal, Yves J.; Li, Jing","Selective, Sensitive, and Reversible Detection of Vapor-Phase High Explosives via Two-Dimensional Mapping: A New Strategy for MOF-Based Sensors","Crystal Growth & Design","2013","13","10","4204","","10.1021/cg4012185","","","0.71073","MoKα","","0.093","0.0731","","","0.2231","0.2345","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508345","7.9641","0.0002","9.8799","0.0002","14.3577","0.0003","89.3256","0.0007","79.2529","0.0007","69.5388","0.0006","1038.14","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Ag Cl N2 O4.5 -","- C22 H17 Ag Cl N2 O4.5 -","- C44 H34 Ag2 Cl2 N4 O9 -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.043","0.0347","","","0.0945","0.1042","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508346","20.58","0.0003","17.9639","0.0003","13.8076","0.0002","90","","90","","90","","5104.63","0.14","220","2","220","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H22 Ag F3 N2 O4 S -","- C25 H12 Ag F3 N2 O4 S -","- C200 H96 Ag8 F24 N16 O32 S8 -","8","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.1064","0.076","","","0.2418","0.2626","","","","","","1.083","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508347","7.4996","0.0003","9.687","0.0004","15.6202","0.0005","82.288","0.002","86.823","0.003","69.603","0.002","1053.97","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.5 H14 Ag B F4 N2 O0.5 -","- C20.5 H14 Ag B F4 N2 O0.5 -","- C41 H28 Ag2 B2 F8 N4 O -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0976","0.0574","","","0.1834","0.2054","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508348","5.2491","0.0004","18.8288","0.0016","17.7483","0.0015","90","","94.342","0.001","90","","1749.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N3 O4 -","- C20 H14 Ag N3 O4 -","- C80 H56 Ag4 N12 O16 -","4","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0296","0.0286","","","0.0648","0.0653","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508349","9.4363","0.0007","10.8242","0.0009","24.6516","0.0019","87.085","0.001","86.609","0.001","65.394","0.001","2284.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","1","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0358","0.031","","","0.0759","0.0782","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508350","13.7662","0.0002","16.8462","0.0003","8.50641","0.00011","90","","95.9664","0.0012","90","","1962.02","0.05","123","0.1","123","0.1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C27 H45 F24 K N6 P4 -","- C27 H45 F24 K N6 P4 -","- C54 H90 F48 K2 N12 P8 -","2","0.5","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.0335","0.0333","","","0.0895","0.0896","","","","","","1.043","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508351","37.5461","0.0003","37.5461","0.0003","37.5461","0.0003","90","","90","","90","","52929.1","0.7","123.01","0.1","123.01","0.1","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C108 H204 F90 N24 O12 P15 -","- C108 H216 F89.84 N24 O12 P15.08 -","- C864 H1728 F718.72 N192 O96 P120.64 -","8","","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1741","0.1595","","","0.4185","0.4428","","","","","","1.751","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508352","17.73792","0.00017","17.73792","0.00017","17.73792","0.00017","90","","90","","90","","5580.95","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P -4 3 m","P -4 2 3","215","","","","- C120 H216 F120 K4 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","1","0.0416667","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.057","0.0551","","","0.1535","0.1563","","","","","","1.066","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508353","12.7737","0.0003","14.482","0.0003","23.5105","0.0004","90.8733","0.0016","93.7874","0.0016","90.4275","0.0017","4339.02","0.15","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H130 F36 N12 O14 P6 -","- C60 H130 F36 N12 O14 P6 -","- C120 H260 F72 N24 O28 P12 -","2","1","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1013","0.0927","","","0.2578","0.267","","","","","","1.017","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508393","19.1498","0.0006","17.707","0.0004","29.3088","0.0007","90","","103.252","0.001","90","","9673.5","0.4","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 Mn3 N40 Nb2 O12 -","- C76 H74 Mn3 N40 Nb2 O12 -","- C304 H296 Mn12 N160 Nb8 O48 -","4","0.5","","Imoto, Kenta; Nakagawa, Kosuke; Miyahara, Hiroyuki; Ohkoshi, Shin-ichi","Super-Ionic Conductive Magnet Based on a Cyano-Bridged Mn‒Nb Bimetal Assembly","Crystal Growth & Design","2013","13","11","4673","","10.1021/cg400390b","","","0.71075","MoKα","","","0.0446","","","","0.1124","","","","","","1.152","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508394","18.4293","","7.9248","","14.6842","","90","","103.281","","90","","2087.25","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xaliproden","","","- C23 H23 Cl F3 N -","- C24 Cl F3 N -","- C96 Cl4 F12 N4 -","4","1","","Chandrappa, Ravi Kumar; Ochsenbein, Philippe; Martineau, Charlotte; Bonin, Michel; Althoff, Gerhard; Engelke, Frank; Malandrini, Harold; Castro, Bertrand; El Hajji, Mohamed; Taulelle, Francis","Polymorphism in Xaliproden (SR57746A): An X-ray Diffraction, Calorimetric, and Solid-State NMR Investigation","Crystal Growth & Design","2013","13","11","4678","","10.1021/cg400441r","powder diffraction","x-ray","0.79975","synchrotron","","0.0845","0.0742","","0.0851","0.0845","","","","3.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508395","19.9604","0.0009","17.7159","0.0006","14.733","0.0007","90","","120.641","0.006","90","","4482.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N4 O16 Zn3 -","- C50 H34 N4 O16 Zn3 -","- C200 H136 N16 O64 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0534","0.0346","","","0.062","0.0665","","","","","","0.983","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508396","9.293","0.0006","10.1006","0.0006","10.9952","0.0006","99.79","0.004","90.398","0.004","105.709","0.005","977.52","0.1","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0562","0.0504","","","0.1242","0.1303","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508397","35.892","0.002","8.2785","0.0003","19.2066","0.0013","90","","110.656","0.007","90","","5340","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N4 O24 Zn3 -","- C50 H46 N4 O24 Zn3 -","- C200 H184 N16 O96 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71069","MoKα","","0.0864","0.0564","","","0.1364","0.1491","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508398","10.568","0.0004","13.7987","0.0005","25.5505","0.0008","94.475","0.003","97.521","0.003","98.646","0.003","3633.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 N12 O21 Zn3 -","- C72 H70 N12 O21 Zn3 -","- C144 H140 N24 O42 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0932","0.0541","","","0.1207","0.1329","","","","","","0.974","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508399","12.6677","0.0006","13.7245","0.0008","21.2317","0.0012","87.678","0.005","80.02","0.004","75.326","0.004","3516.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 N12 O18 Zn3 -","- C72 H62 N12 O18 Zn3 -","- C144 H124 N24 O36 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0962","0.0529","","","0.1103","0.125","","","","","","0.984","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508400","9.2462","0.0007","9.8313","0.0007","16.3925","0.0009","75.725","0.005","78.233","0.005","66.308","0.007","1313.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","1","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0635","0.0413","","","0.0693","0.0739","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508401","9.1551","0.001","10.9184","0.0013","11.0126","0.0012","90","","101.042","0.011","90","","1080.4","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C50 H60 Cl2 N2 O6 -","2","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.54184","CuKα","","0.0895","0.0539","","0.16","0.1051","0.16","","","","","","0.9983","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508402","10.9483","0.0003","10.9241","0.0003","18.0149","0.0005","90","","100.685","0.003","90","","2117.23","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C100 H120 Cl4 N4 O12 -","4","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.5418","CuKα","","0.068","0.0536","","0.1006","0.0933","0.1006","","","","","","0.9999","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508403","9.7087","0.0006","14.3561","0.0008","18.8051","0.0011","70.573","0.005","88.567","0.005","88.179","0.005","2470.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Cl N O4 -","- C27 H36 Cl N O4 -","- C108 H144 Cl4 N4 O16 -","4","2","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","x-ray","1.5418","CuKα","","0.075","0.0478","","","0.0934","0.1042","","","","1.1","1.1","1.02","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508404","15.675","0.002","15.675","0.002","15.675","0.002","90","","90","","90","","3851.4","0.9","163","2","163","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Cd3 H72 O82 S0.5 V18.5 -","- Cd3 H48 O82 S0.5 V18.5 -","- Cd6 H96 O164 S V37 -","2","0.0208333","","Khan, M. Ishaque; Putrevu, Naga Ravikanth; Ayesh, Samar; Yohannes, Elizabeth H.; Cage, Brant; Doedens, Robert J.","Crystalline Framework Material Containing Arrays of Vanadium Oxide Nanoclusters: A Polyoxovanadate Framework with Room Temperature NOxSensing Properties","Crystal Growth & Design","2013","13","11","4667","","10.1021/cg4007444","","","0.71073","MoKα","","0.0384","0.0378","","","0.113","0.1134","","","","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508405","7.398","0.005","8.098","0.002","16.35","0.002","90","","90","","90","","979.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anti-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0738","0.0459","","","0.1082","0.1173","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508406","7.94","0.002","8.507","0.002","10.553","0.003","86.884","0.004","85.697","0.004","79.874","0.004","699.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1b","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0722","0.0563","","","0.1335","0.1439","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508407","8.239","0.002","10.647","0.003","11.165","0.003","77.429","0.004","88.536","0.003","81.523","0.004","945.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C48 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0771","0.0559","","","0.1481","0.1583","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508408","14.16","0.005","14.16","0.005","10.639","0.005","90","","90","","90","","2133.2","1.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","anti-1d","","","- C26 H26 O2 -","- C26 H26 O2 -","- C104 H104 O8 -","4","0.5","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71069","MoKα","","0.0815","0.0507","","","0.0856","0.092","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508409","14.727","0.003","8.144","0.0006","16.355","0.003","90","","92.46","0.03","90","","1959.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.114","0.0536","","","0.0893","0.0989","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508410","11.427","0.003","15.005","0.006","12.378","0.003","90","","95.86","0.02","90","","2111.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","syn-2a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.2883","0.0741","","","0.1235","0.1594","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508411","6.5194","0.0013","10.832","0.002","11.734","0.002","62.664","0.003","81.449","0.004","78.996","0.004","720.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","syn-2b","","","- C16 H24 O3 -","- C16 H24.01 O3 -","- C32 H48.02 O6 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0707","0.0542","","","0.13","0.1386","","","","","","1.095","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508412","16.9056","0.0013","13.3322","0.001","16.9493","0.0012","90","","90.21","0.002","90","","3820.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","syn-2c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0613","0.0454","","","0.0965","0.1004","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508413","27.09","0.003","9.0376","0.0009","31.579","0.003","90","","90","","90","","7731.4","1.4","273","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C304 H352 O80 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.2235","0.1222","","","0.2899","0.3324","","","","","","1.083","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508414","40.165","0.005","8.7427","0.0009","30.099","0.004","90","","124.743","0.005","90","","8685","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-dibenzo-18-crown-6}-2water","","- C100 H103 K O28 -","- C100 H98 K O28 -","- C400 H392 K4 O112 -","4","0.5","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1616","0.0774","","","0.1539","0.18","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508415","12.8757","0.0014","14.1279","0.0015","24.656","0.003","90","","101.695","0.002","90","","4392","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-2methanol","","- C44 H55 K O14 -","- C44 H55 K O14 -","- C176 H220 K4 O56 -","4","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0754","0.058","","","0.1529","0.1666","","","","","","1.044","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508416","11.7667","0.0014","14.3953","0.0018","15.0075","0.0018","63.93","0.002","78.362","0.002","78.915","0.002","2220.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-dimethylformamide","","- C45 H54 K N O13 -","- C45 H54 K N O13 -","- C90 H108 K2 N2 O26 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1272","0.1426","","","","","","1.045","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508417","12.413","0.004","14.033","0.005","17.701","0.006","107.579","0.006","109.44","0.006","96.641","0.007","2690.5","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{ammonium-18-crown-6}-2dimethoxyethane-2water","","- C48 H75 N O19 -","- C48 H61 N O18.98 -","- C96 H122 N2 O37.96 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1771","0.1317","","","0.3449","0.3711","","","","","","1.041","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508418","25.83","0.004","25.83","0.004","11.945","0.002","90","","90","","90","","7970","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 Gd2 N3 O14 -","- C12 H19 Gd2 N3 O14 -","- C192 H304 Gd32 N48 O224 -","16","1","","Jia, Ji-Min; Liu, Sui-Jun; Cui, Yu; Han, Song-De; Hu, Tong-Liang; Bu, Xian-He","3D GdIIIComplex Containing Gd16Macrocycles Exhibiting Large Magnetocaloric Effect","Crystal Growth & Design","2013","13","11","4631","","10.1021/cg4008735","","","0.71073","MoKα","","0.0874","0.0785","","","0.1793","0.1837","","","","","","1.236","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508419","17.127","0.003","21.794","0.004","13.13","0.003","90","","127.91","0.03","90","","3867","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Mn2 N8 O4 W -","- C10 H7 Mn2 N8 O4 W -","- C80 H56 Mn16 N64 O32 W8 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0333","0.0326","","","0.0852","0.0857","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508420","17.0077","0.0012","21.9812","0.0015","13.0699","0.0009","90","","127.521","0.003","90","","3875.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Mn2 Mo N8 O3 -","- C9 H4 Mn2 Mo N8 O3 -","- C72 H32 Mn16 Mo8 N64 O24 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0564","0.0472","","","0.1272","0.1312","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508421","12.429","0.003","12.429","0.003","16.976","0.003","90","","90","","90","","2622.5","1","293","2","293","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C32 H56 Cl Mn2 N16 O12 W -","- C32 H56 Cl Mn2 N16 O12 W -","- C64 H112 Cl2 Mn4 N32 O24 W2 -","2","0.25","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0275","0.0235","","","0.0558","0.0577","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508422","11.609","0.0005","10.6201","0.0004","21.7532","0.0007","90","","100.085","0.003","90","","2640.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N6 O7.5 Zn -","- C26 H20 N6 O7.5 Zn -","- C104 H80 N24 O30 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0677","0.0433","","","0.09","0.1015","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508423","10.2619","0.0005","10.9485","0.0004","12.138","0.0006","97.356","0.004","111.722","0.004","98.361","0.004","1228.65","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C52 H40 N12 O12 Zn2 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0373","0.0312","","","0.0768","0.08","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508424","17.6724","0.0006","7.5085","0.0002","21.7973","0.0008","90","","103.479","0.004","90","","2812.69","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 Cd2 N6 O11 -","- C28 H18 Cd2 N6 O11 -","- C112 H72 Cd8 N24 O44 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0392","0.0304","","","0.063","0.0675","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508425","10.126","0.0004","14.116","0.0004","18.18","0.0006","94.156","0.002","93.21","0.003","96.077","0.003","2571.91","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22.5 N6 O7.25 Zn -","- C26 H20 N6 O7.25 Zn -","- C104 H80 N24 O29 Zn4 -","4","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71069","MoKα","","0.0553","0.0412","","","0.0977","0.1056","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508426","10.4405","0.0007","20.454","0.0014","13.3926","0.0008","90","","94.425","0.006","90","","2851.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O10 Zn -","- C26 H28 N6 O10 Zn -","- C104 H112 N24 O40 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.082","0.0336","","","0.0385","0.041","","","","","","0.736","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508427","9.9036","0.0004","9.9448","0.0004","13.9265","0.0006","75.321","0.004","76.496","0.004","81.47","0.003","1284.35","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N6 O7 -","- C26 H20 Cd N6 O7 -","- C52 H40 Cd2 N12 O14 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0438","0.0304","","","0.0541","0.0557","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508428","7.5009","0.0007","9.6296","0.0006","10.3322","0.0009","92.856","0.006","108.841","0.008","111.401","0.007","645.6","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","1","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0732","0.0414","","","0.0717","0.0759","","","","","","0.866","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508429","10.8647","0.0004","34.1221","0.0013","15.9502","0.0007","90","","103.229","0.004","90","","5756.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N6 O9.5 Zn -","- C26 H20 N6 O9.5 Zn -","- C208 H160 N48 O76 Zn8 -","8","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.11","0.0658","","","0.157","0.1817","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508430","10.7686","0.0004","13.3285","0.0005","12.0109","0.0004","90","","95.967","0.003","90","","1714.58","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 O12 Zn2 -","- C34 H24 N6 O12 Zn2 -","- C68 H48 N12 O24 Zn4 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0367","0.0308","","","0.0714","0.0751","","","","","","1.027","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508431","10.8285","0.0002","16.4265","0.0004","25.1152","0.0006","90","","90","","90","","4467.35","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 N12 O14 Zn2 -","- C46 H34 N12 O14 Zn2 -","- C184 H136 N48 O56 Zn8 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0421","0.035","","","0.072","0.0746","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508432","13.1229","0.0004","11.3044","0.0002","15.9681","0.0004","90","","109.751","0.003","90","","2229.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 Cd2 N12 O12 -","- C46 H34 Cd2 N12 O12 -","- C92 H68 Cd4 N24 O24 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.03","0.0244","","","0.057","0.0607","","","","","","1.055","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508433","3.8035","0.0004","5.8716","0.0005","22.123","0.002","90","","91.26","0.007","90","","493.95","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.093","0.0567","","","0.1427","0.1605","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508434","7.1516","0.0006","5.858","0.0005","12.2714","0.001","90","","108.672","0.005","90","","487.04","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0471","0.04","","","0.11","0.1164","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508435","9.779","0.002","3.735","0.0007","13.188","0.003","90","","95.492","0.009","90","","479.47","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.06","0.0386","","","0.0846","0.0943","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508436","9.7663","0.001","4.672","0.0005","11.4452","0.0013","90","","91.138","0.007","90","","522.12","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0291","0.0269","","","0.0655","0.0685","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508437","12.7716","0.0012","3.8032","0.0004","11.6316","0.0011","90","","105.903","0.002","90","","543.36","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0299","0.0273","","","0.0689","0.0704","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508438","11.4948","0.001","3.8134","0.0003","13.521","0.0011","90","","113.889","0.002","90","","541.91","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0322","0.0272","","","0.0732","0.0768","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508439","10.0896","0.0019","4.7532","0.001","11.622","0.002","90","","91.951","0.004","90","","557.04","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0227","0.0214","","","0.0568","0.0575","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508440","10.9225","0.0008","4.4318","0.0003","11.9113","0.0009","90","","98.145","0.003","90","","570.77","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0282","0.0235","","","0.0567","0.0585","","","","","","1.033","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508441","21.7149","0.001","3.9697","0.0002","13.7591","0.0007","90","","105.101","0.003","90","","1145.1","0.1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-bis(2-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C48 H32 Br8 N8 -","4","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0234","0.0218","","","0.0599","0.0613","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508442","10.895","0.002","13.052","0.003","13.536","0.003","90","","95.74","0.03","90","","1915.2","0.7","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O7 Zn -","- C16 H22 N2 O7 Zn -","- C64 H88 N8 O28 Zn4 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0381","0.0305","","","0.0805","0.0833","","","","","","1.082","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508443","8.522","0.0017","9.091","0.0018","11.361","0.002","91.44","0.03","110.86","0.03","98.38","0.03","810.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C32 H28 N4 O10 Zn2 -","2","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1685","0.0796","","","0.1651","0.186","","","","","","0.808","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508444","11.025","0.002","14.176","0.003","16.191","0.003","90","","95.5","0.03","90","","2518.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O10 Zn2 -","- C22 H28 N2 O10 Zn2 -","- C88 H112 N8 O40 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0824","0.0621","","","0.1836","0.2018","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508445","10.5081","0.0009","16.6714","0.0014","12.296","0.001","90","","90","","90","","2154.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H22 N2 O5 Zn -","- C18 H22 N2 O5 Zn -","- C72 H88 N8 O20 Zn4 -","4","0.5","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.081","0.0653","","","0.1855","0.1979","","","","","","1.032","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508446","16.486","0.003","14.244","0.003","16.667","0.003","90","","99.74","0.03","90","","3857.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O12 Zn2 -","- C36 H40 N4 O12 Zn2 -","- C144 H160 N16 O48 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1585","0.0586","","","0.1314","0.1662","","","","","","0.993","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508447","17.764","0.003","17.764","0.003","15.355","0.003","90","","90","","90","","4845.4","1.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C144 H128 Ho16 O96 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","1.54184","CuKα","","0.0681","0.0587","","","0.1316","0.1347","","","","","","1.131","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508448","8.3626","0.0012","12.394","0.0018","12.8469","0.0018","61.598","0.002","86.515","0.002","89.95","0.002","1168.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O14 Pr2 -","- C18 H24 O14 Pr2 -","- C36 H48 O28 Pr4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.083","0.0632","","","0.1518","0.1645","","","","","","1.177","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508449","8.222","0.0016","12.342","0.003","12.768","0.003","117.5","0.03","93.64","0.03","90.02","0.03","1146.3","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O14 Sm2 -","- C18 H26 O14 Sm2 -","- C36 H52 O28 Sm4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.7378","synchrotron","","0.0902","0.0853","","","0.2485","0.2553","","","","","","1.063","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508450","22.602","0.003","12.394","0.0018","8.3626","0.0012","90","","93.935","0.003","90","","2337.1","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 O7 Pr -","- C10 O7 Pr -","- C80 O56 Pr8 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.2536","0.201","","","0.6402","0.6869","","","","","","27.554","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508451","7.2123","0.0005","24.0547","0.0018","11.7186","0.0008","90","","90.042","0.002","90","","2033.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Co3 N18 O7 W2 -","- C30 H25.8 Co3 N18 O6.7 W2 -","- C60 H51.6 Co6 N36 O13.4 W4 -","2","1","","Komori-Orisaku, Keiko; Imoto, Kenta; Koide, Yoshihiro; Ohkoshi, Shin-ichi","Mixed-Valence Cobalt(II/III)‒Octacyanidotungstate(IV/V) Ferromagnet","Crystal Growth & Design","2013","13","12","5267","","10.1021/cg401011d","","","0.75","synchrotron","","0.1393","0.0932","","","0.2255","0.2858","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508452","7.5683","0.0008","15.1093","0.0008","9.1624","0.0006","90","","104.419","0.009","90","","1014.73","0.14","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 La N9 O11 -","- C14 H14 La N9 O11 -","- C28 H28 La2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0312","0.0279","","","0.06","0.0618","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508453","7.5429","0.0005","15.1009","0.0008","9.1529","0.0005","90","","104.527","0.006","90","","1009.23","0.11","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 Ce N9 O11 -","- C14 H14 Ce N9 O11 -","- C28 H28 Ce2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0332","0.0293","","","0.0597","0.0618","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508454","6.8998","0.0014","9.2699","0.0019","13.549","0.003","90","","92.58","0.03","90","","865.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N8 O8 Pb -","- C14 H14 N8 O8 Pb -","- C28 H28 N16 O16 Pb2 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One–Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0385","0.0255","","","0.0558","0.0616","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508455","7.201","0.008","9.044","0.002","13.816","0.005","90","","95.04","0.05","90","","896.3","1.1","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N8 O8 -","- C14 H10 Cd N8 O8 -","- C28 H20 Cd2 N16 O16 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.1389","0.07","","","0.1555","0.2065","","","","","","0.949","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508456","9.5712","0.0019","10.701","0.002","8.8631","0.0018","90","","111.14","0.03","90","","846.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cd N4 O3 -","- C7 H4 Cd N4 O3 -","- C28 H16 Cd4 N16 O12 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0851","0.0773","","","0.2039","0.2108","","","","","","1.056","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508457","9.2545","0.0014","10.1923","0.001","8.8925","0.0011","90","","111.412","0.016","90","","780.89","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O3 Zn -","- C7 H4 N4 O3 Zn -","- C28 H16 N16 O12 Zn4 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0735","0.0614","","","0.17","0.1795","","","","","","1.123","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508458","7.8256","0.0004","10.0204","0.0005","20.8235","0.0009","90","","90.102","0.002","90","","1632.89","0.14","288","2","288","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 Cd N2 O6 -","- C16 H12 Cd N2 O6 -","- C64 H48 Cd4 N8 O24 -","4","2","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0335","0.0251","","","0.0493","0.0517","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508459","9.9478","0.0003","10.9061","0.0003","18.6373","0.0006","90","","103.236","0.001","90","","1968.28","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cd2 N O15 -","- C14 H14 Cd2 N O15 -","- C56 H56 Cd8 N4 O60 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0342","0.0243","","","0.0486","0.0522","","","","","","1.028","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508460","9.9344","0.0006","11.6032","0.0006","16.464","0.001","76.643","0.003","82.486","0.003","75.074","0.002","1779.05","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd2 N4 O13 -","- C34 H28 Cd2 N4 O13 -","- C68 H56 Cd4 N8 O26 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0538","0.037","","","0.0754","0.0803","","","","","","1.098","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508461","9.8908","0.0007","14.3305","0.001","21.8335","0.0014","90","","95.183","0.002","90","","3082","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cd2 N3 O13 -","- C30 H23 Cd2 N3 O13 -","- C120 H92 Cd8 N12 O52 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0582","0.0418","","","0.0871","0.0912","","","","","","1.117","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508462","10.1306","0.0004","10.1685","0.0004","11.9873","0.0005","83.831","0.002","78.767","0.002","81.005","0.002","1192.51","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","1","0.5","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0245","0.0207","","","0.0485","0.0502","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508463","6.8557","0.0004","10.49","0.0006","19.7921","0.0013","90","","96.419","0.004","90","","1414.45","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Mn N2 O7 V2 -","- C10 H10 Mn N2 O7 V2 -","- C40 H40 Mn4 N8 O28 V8 -","4","1","","Luo, Lan; Maggard, Paul A.","Effect of Ligand Coordination on the Structures and Visible-Light Photocatalytic Activity of Manganese Vanadate Hybrids","Crystal Growth & Design","2013","13","12","5282","","10.1021/cg401062f","","","0.71073","MoKα","","0.0871","0.0794","","","0.1706","0.1749","","","","","","1.199","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508464","3.9273","0.0001","28.2318","0.0006","11.0309","0.0002","90","","94.891","0.002","90","","1218.59","0.05","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CppOMe","4-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","0.71073","MoKα","","0.0483","0.0416","","","0.1106","0.1144","","","","","","1.461","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508465","11.0435","0.0002","12.1882","0.0002","9.1066","0.0002","90","","99.637","0.002","90","","1208.45","0.04","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpmOMe","3-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0579","0.046","","","0.1214","0.1295","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508466","12.9035","0.0004","12.2505","0.0004","7.5124","0.0003","90","","105.507","0.004","90","","1144.29","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpoOMe","2-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0933","0.048","","","0.0884","0.1035","","","","","","0.938","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508467","5.8643","0.0001","7.2657","0.0001","28.2073","0.0006","90","","90","","90","","1201.86","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CmpOMe","4-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0303","0.0278","","","0.0713","0.0736","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508468","30.072","0.0007","30.072","0.0007","7.037","0.0002","90","","90","","120","","5511.2","0.2","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","CmmOMe","3-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C234 H216 N36 O54 -","18","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0333","0.0311","","","0.0797","0.0817","","","","","","1.066","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508469","3.9387","0.0003","14.3302","0.0011","20.6668","0.0018","90","","90.517","0.008","90","","1166.44","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CopOMe","4-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0552","0.0433","","","0.1081","0.1173","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508470","5.0984","0.0004","10.4111","0.0009","12.2585","0.0011","107.342","0.008","101.655","0.007","93.337","0.007","603.4","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","ComOMe","3-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.1339","0.0584","","","0.0878","0.1145","","","","","","0.955","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508471","7.248","0.0008","7.5279","0.0008","11.8142","0.0014","92.36","0.009","96.283","0.01","115.193","0.011","577.02","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","CooOMe","2-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0331","0.0314","","","0.0866","0.0883","","","","","","1.091","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508472","54.929","0.004","54.929","0.004","8.6324","0.0006","90","","90","","120","","22556","3","294","2","294","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C105 H97 N16 O24 -","- C105 H97 N16 O24 -","- C945 H873 N144 O216 -","9","0.5","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.1146","0.0942","","","0.2203","0.2307","","","","","","1.146","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508473","14.6235","0.0012","12.2856","0.0011","14.1355","0.0014","90","","106.068","0.013","90","","2440.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O10 Zn2 -","- C20 H20 N4 O10 Zn2 -","- C80 H80 N16 O40 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508474","14.2107","0.0015","12.18","0.0016","14.2834","0.0012","90","","105.093","0.011","90","","2387","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13.88 N3 O9.44 Zn2 -","- C17 H13 N3 O9.441 Zn2 -","- C68 H52 N12 O37.764 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508475","16.4202","0.0012","12.0913","0.0017","11.5641","0.0016","90","","106.261","0.017","90","","2204.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O11 Zn2 -","- C17 H17 N3 O11 Zn2 -","- C68 H68 N12 O44 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508476","11.4637","0.0012","11.8882","0.0014","7.1062","0.0018","104.23","0.019","90.255","0.011","107.323","0.017","893","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","tetrakis(μ~2~-Isocinchomeronate-N,O,O')-deca-aqua-tetra-zinc(ii)","tetrakis(μ~2~-Pyridine-2,5-dicarboxylato-N,O,O')-deca-aqua-tetra-zinc(ii)","","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","1","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508477","9.5951","0.0018","31.449","0.017","8.4876","0.0019","90","","115.659","0.016","90","","2308.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(pyridine-2-carboxylato-5-carboxylic acid-N,O)- bis(N,N-dimethylformamide-O)-zinc(II)","","- C20 H22 N4 O10 Zn -","- C20 H22 N4 O10 Zn -","- C80 H88 N16 O40 Zn4 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0587","2.4725","","","","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508478","17.9666","0.0009","7.1635","0.0012","12.5582","0.0011","90","","110.958","0.009","90","","1509.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(pyridine-2-carboxylato-5-carboxylic acid-N,O)-zinc(II)","","- C14 H10 N2 O9 Zn -","- C14 H10 N2 O9 Zn -","- C56 H40 N8 O36 Zn4 -","4","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1235","1.266","","","","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508479","10.7389","0.0018","19.612","0.003","23.441","0.004","109.829","0.002","91.093","0.002","96.175","0.002","4609.1","1.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.1997","0.0687","","","0.0923","0.1107","","","","","","0.938","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508480","5.0706","0.0002","21.0079","0.001","29.7452","0.0014","90","","91.395","0.001","90","","3167.6","0.2","90","1","90","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0472","0.037","","","0.0875","0.0929","","","","","","1.025","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508481","5.0842","0.0003","21.0231","0.0014","29.8397","0.0019","90","","91.354","0.001","90","","3188.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0632","0.0422","","","0.0936","0.1038","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508482","7.722","0.0006","9.1477","0.0007","15.4738","0.0012","90","","93.462","0.002","90","","1091.05","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 Na2 O14 Rh2 -","- C10 H12 N2 Na2 O14 Rh2 -","- C20 H24 N4 Na4 O28 Rh4 -","2","0.5","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0422","0.0297","","","0.0727","0.0802","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508483","8.3851","0.0002","12.1694","0.0003","15.5635","0.0004","90","","105.263","0.001","90","","1532.11","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","P132Rh","","","- C9 H12 N Na O10 Rh2 -","- C9 H12 N Na O10 Rh2 -","- C36 H48 N4 Na4 O40 Rh8 -","4","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0546","0.0301","","","0.0625","0.0707","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508484","12.375","0.004","13.372","0.003","15.74","0.003","97.41","0.02","110.01","0.03","102.37","0.02","2331.8","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 I2 K2 O9 Rh2 -","- C12 H20 I2 K2 O9 Rh2 -","- C48 H80 I8 K8 O36 Rh8 -","4","2","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.1003","0.0569","","","0.1498","0.1833","","","","","","0.997","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4508485","12.5875","0.001","12.7015","0.001","15.812","0.0015","66.75","0.003","72.652","0.004","75.657","0.003","2192.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","RhBr","","","- C24 H36 Br4 K4 O16 Rh4 -","- C24 H36 Br4 K4 O16 Rh4 -","- C48 H72 Br8 K8 O32 Rh8 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0962","0.0586","","","0.1617","0.1823","","","","","","1.001","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508486","13.2906","0.0014","13.844","0.002","16.453","0.002","97.035","0.008","108.809","0.01","102.831","0.011","2731.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Br K O26 Rh6 -","- C36 H60 Br K O26 Rh6 -","- C72 H120 Br2 K2 O52 Rh12 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0503","0.032","","","0.0754","0.0875","","","","","","0.997","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508487","18.6118","0.0015","34.059","0.003","37.687","0.003","67.605","0.002","87.377","0.002","75.497","0.002","21351","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.75 H139 N20 O10.75 -","- C112.75 H108 N20 O10.75 -","- C902 H864 N160 O86 -","8","4","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1543","0.091","","","0.2262","0.2599","","","","","","1.112","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508488","25.5517","0.0015","12.7178","0.0007","26.1062","0.0015","90","","93.196","0.002","90","","8470.3","0.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C196 H196 N20 O12 -","- C195.5 H156 N20 O10 -","- C391 H312 N40 O20 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1181","0.086","","","0.2275","0.2517","","","","","","1.144","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508489","22.33972","0.00017","13.38025","0.00016","27.06738","0.0003","90","","91.1243","0.00079","90","","8089.18","0.15","363","","298","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","CC12","","","- C180 H156 N20 -","- C180 H156 N20 -","- C360 H312 N40 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","powder diffraction","","0.825556","synchrotron","","0.016","","","","","","","","1.88","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508490","28.18","0.002","18.404","0.0014","32.044","0.002","90","","112.174","0.001","90","","15389.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H24 Cu6 N6 O35.56 -","- C54 H24 Cu6 N6 O35.565 -","- C216 H96 Cu24 N24 O142.26 -","4","1","","Wang, Zhaoxu; Zheng, Baishu; Liu, Heting; Lin, Xiu; Yu, Xianyong; Yi, Pinggui; Yun, Ruirui","High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal‒Organic Framework","Crystal Growth & Design","2013","13","11","5001","","10.1021/cg401180r","","","0.71073","MoKα","","0.0921","0.0675","","","0.184","0.1963","","","","","","1.001","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508491","12.8344","0.0004","10.3729","0.0004","17.5387","0.0006","90","","93.849","0.002","90","","2329.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Co N6 O5 -","- C25 H20 Co N6 O5 -","- C100 H80 Co4 N24 O20 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0698","0.0447","","","0.1211","0.1357","","","","","","1.016","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508492","8.1702","0.0004","15.7344","0.0013","22.5501","0.0015","91.459","0.006","93.38","0.005","93.366","0.005","2887.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Co3 N12 O15 -","- C60 H50 Co3 N12 O15 -","- C120 H100 Co6 N24 O30 -","2","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.1718","0.0775","","","0.1597","0.217","","","","","","0.969","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508493","17.2061","0.0008","16.2099","0.0007","34.9123","0.0016","90","","94.604","0.003","90","","9705.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H76 Co5 N18 O30 -","- C95 H76 Co5 N18 O30 -","- C380 H304 Co20 N72 O120 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.249","0.0789","","","0.1655","0.2072","","","","","","0.982","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508494","21.534","0.002","13.111","0.0014","21.387","0.002","90","","97.236","0.005","90","","5990.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N12 O16 Zn3 -","- C60 H54 N12 O16 Zn3 -","- C240 H216 N48 O64 Zn12 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0692","0.0423","","","0.1117","0.1285","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508495","8.5478","0.0004","18.0515","0.0007","16.6294","0.0006","90","","98.933","0.002","90","","2534.8","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Mn N12 O14 -","- C50 H54 Mn N12 O14 -","- C100 H108 Mn2 N24 O28 -","2","0.5","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0704","0.0489","","","0.1212","0.1329","","","","","","1.024","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508496","30.739","0.005","11.1193","0.0017","16.729","0.003","90","","91.04","0.002","90","","5717","1.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N6 O10 Zn2 -","- C60 H48 N6 O10 Zn2 -","- C240 H192 N24 O40 Zn8 -","4","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0626","0.0539","","","0.1374","0.1389","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508497","11.4023","0.001","13.7749","0.0013","15.7837","0.0014","105.578","0.002","105.825","0.002","92.342","0.002","2280","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N3 O6 S Zn -","- C42 H28 N3 O6 S Zn -","- C84 H56 N6 O12 S2 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0682","0.0542","","","0.1436","0.1495","","","","","","0.985","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508498","12.189","0.002","13.874","0.002","17.24","0.003","77.633","0.003","73.519","0.003","72.711","0.003","2642.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N3 O5 Zn -","- C42 H28 N3 O5 Zn -","- C84 H56 N6 O10 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0904","0.0512","","","0.1087","0.1135","","","","","","1.001","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508499","14.6755","0.0014","17.0604","0.0014","20.1262","0.0018","103.72","0.005","94.693","0.006","92.822","0.005","4866.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Mn4 N4 O28 -","- C108 H84 Mn4 N4 O28 -","- C216 H168 Mn8 N8 O56 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1534","0.0577","","","0.1281","0.1677","","","","","","0.989","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508500","12.3961","0.0006","21.0059","0.0011","22.8699","0.0011","90","","90","","90","","5955.1","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C68 H52 Cu2 N8 O13 -","- C68 H52 Cu2 N8 O13 -","- C272 H208 Cu8 N32 O52 -","4","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0588","0.0437","","","0.124","0.141","","","","","","1.048","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508501","8.001","0.003","10.6","0.004","28.861","0.01","90","","103.98","0.02","90","","2375.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N O6 -","- C27 H20 Cu N O6 -","- C108 H80 Cu4 N4 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0744","0.0516","","","0.1139","0.1217","","","","","","1.134","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508502","13.475","0.005","12.797","0.005","17.276","0.006","90","","110.072","0.004","90","","2798.1","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33.33 N2.67 O10.67 Zn2 -","- C44 H33.3333 N2.66667 O10.6667 Zn2 -","- C132 H100 N8 O32 Zn6 -","3","0.75","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0399","0.0298","","","0.0751","0.0803","","","","","","1.028","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508503","13.9742","0.0012","15.7792","0.0014","14.0779","0.0011","90","","116.132","0.005","90","","2786.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N4 O13 Zn2 -","- C64 H48 N4 O13 Zn2 -","- C128 H96 N8 O26 Zn4 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1481","0.095","","","0.2558","0.2757","","","","","","1.637","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508504","15.436","0.008","17.511","0.009","20.779","0.011","84.825","0.006","72.13","0.006","83.602","0.007","5303","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H93 Co4 N5 O25 -","- C117 H93 Co4 N5 O25 -","- C234 H186 Co8 N10 O50 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0938","0.0553","","","0.1352","0.1613","","","","","","1.016","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508505","8.855","0.004","17.267","0.008","34.25","0.015","90","","102.274","0.012","90","","5117","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H84 Co4 N8 O24 -","- C112 H84 Co4 N8 O25 -","- C224 H168 Co8 N16 O50 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1067","0.073","","","0.1596","0.1719","","","","","","1.143","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508506","10.673","0.002","14.657","0.003","18.405","0.004","90","","104.337","0.002","90","","2789.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Co N2 O6 -","- C32 H24 Co N2 O6 -","- C128 H96 Co4 N8 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0601","0.0371","","","0.0823","0.0928","","","","","","1.015","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508507","4.9312","0.0003","19.156","0.0013","41.744","0.002","90","","90","","90","","3943.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C184 H184 F8 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1407","0.0708","","","0.1083","0.1352","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508508","16.2856","0.0006","8.4173","0.0004","14.5989","0.0006","90","","110.232","0.002","90","","1877.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0718","0.0435","","","0.0776","0.0896","","","","","","0.906","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508509","12.006","0.002","23.51","0.004","8.2207","0.0013","90","","90","","90","","2320.4","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H30 F N O3 -","- C26 H30 F N O3 -","- C104 H120 F4 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.2205","0.0962","","","0.1184","0.1474","","","","","","1.103","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508510","10.1891","0.0003","12.1484","0.0004","15.5039","0.0004","90","","92.864","0.003","90","","1916.7","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0721","0.052","","","0.0975","0.1084","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508511","12.0576","0.0009","18.7488","0.0011","18.9159","0.0014","90","","90","","90","","4276.2","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H52 F2 O5 S -","- C48 H52 F2 O5 S -","- C192 H208 F8 O20 S4 -","4","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0747","0.0508","","","0.0776","0.0851","","","","","","1.183","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508512","8.385","0.0002","29.3923","0.0008","19.4179","0.0006","90","","93.876","0.002","90","","4774.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 F O3 S -","- C25 H29 F O3 S -","- C200 H232 F8 O24 S8 -","8","2","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1326","0.0527","","","0.0835","0.0987","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508513","9.0463","0.0005","9.5339","0.0006","13.1106","0.0008","98.763","0.004","103.988","0.004","96.474","0.004","1071.13","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.065","0.0448","","","0.0815","0.0877","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508514","10.1337","0.0009","11.882","0.0007","18.8355","0.0016","90","","104.929","0.008","90","","2191.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C100 H108 F4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1862","0.0731","","","0.0814","0.1135","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508515","10.3787","0.0009","13.598","0.0009","15.7691","0.0008","102.404","0.005","102.068","0.006","106.19","0.007","1999.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Cs F2 O4 -","- C46 H45 Cs F2 O4 -","- C92 H90 Cs2 F4 O8 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1215","0.0621","","","0.0652","0.0844","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508516","7.9028","0.0013","13.74","0.003","13.9223","0.0016","61.675","0.014","86.564","0.013","84.041","0.017","1323.5","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}- 2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate, hydrochloride salt","","- C27 H36 Cl F2 N O4 -","- C27 H35.5 Cl F2 N O4 -","- C54 H71 Cl2 F4 N2 O8 -","2","2","","Vogt, Frederick G.; Williams, Glenn R.; Johnson, Matthew N.; Copley, Royston C. B.","A Spectroscopic and Diffractometric Study of Polymorphism in Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate Hydrochloride","Crystal Growth & Design","2013","13","12","5353","","10.1021/cg401232g","","","0.71073","MoKα","","0.0952","0.0551","","","0.1051","0.1195","","","","","","1.024","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508517","30.2868","0.0007","30.2868","0.0007","64.156","0.003","90","","90","","90","","58850","3","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C96 H82 B4 Co5 F16 N38 O23 -","- C96 H82 B3 Co5 F12 N38 O23 -","- C1536 H1312 B48 Co80 F192 N608 O368 -","16","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.217","0.0991","","","0.2342","0.259","","","","","","1.328","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508518","12.9399","0.0003","12.9399","0.0003","16.4208","0.0006","90","","90","","90","","2749.52","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Cu4 N24 O4 -","- C60 H40 Cu4 N24 O4 -","- C120 H80 Cu8 N48 O8 -","2","0.25","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0623","","","","","","1.019","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508519","5.3664","0.0012","10.819","0.003","14.774","0.003","110.777","0.009","95.364","0.009","92.319","0.009","796","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N7 O -","- C17 H15 N7 O -","- C34 H30 N14 O2 -","2","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.1261","0.0759","","","0.1755","0.1974","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508520","15.4729","0.0005","12.5273","0.0004","15.3919","0.0006","90","","119.113","0.001","90","","2606.54","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 Mn N8 O9 -","- C19 H18 Cl2 Mn N8 O9 -","- C76 H72 Cl8 Mn4 N32 O36 -","4","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0858","0.0567","","","0.1418","0.1582","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508521","10.8622","0.0005","11.5477","0.0006","18.5728","0.0009","77.413","0.002","73.814","0.001","67.829","0.002","2055.17","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 N2 Na O6 S -","- C11 H13 N2 Na O6 S -","- C66 H78 N12 Na6 O36 S6 -","6","3","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.072","0.0443","","","0.094","0.1055","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508522","6.7694","0.0003","11.5358","0.0005","11.5612","0.0005","78.143","0.002","88.395","0.003","82.401","0.002","875.8","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","1","0.5","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0791","0.0585","","","0.1402","0.1529","","","","","","1.037","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508523","6.4504","0.0002","14.9484","0.0004","19.9662","0.0005","90","","90","","90","","1925.2","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 Na O9 S -","- C14 H24 N2 Na O9 S -","- C56 H96 N8 Na4 O36 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0606","0.0399","","","0.0898","0.0982","","","","","","1.017","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508524","5.4449","0.0002","7.9375","0.0003","16.8558","0.0006","90.626","0.006","90.884","0.003","105.495","0.004","701.84","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 K N2 O6 S -","- C11 H13 K N2 O6 S -","- C22 H26 K2 N4 O12 S2 -","2","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71073","MoKα","","0.0625","0.0549","","","0.1507","0.1576","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508525","5.9999","0.0002","17.7433","0.0009","15.7824","0.0007","90","","91.833","0.005","90","","1679.3","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 K N2 O6 S -","- C14 H17 K N2 O6 S -","- C56 H68 K4 N8 O24 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0563","0.0417","","","0.0986","0.1047","","","","","","1.037","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508526","11.2479","0.0004","14.1825","0.0006","15.5718","0.0006","90","","108.49","0.0011","90","","2355.83","0.16","290","1","290","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25.5 H26 N O7 S -","- C25.5 H26 N O7 S -","- C102 H104 N4 O28 S4 -","4","2","","Kim, Ji-Soo; Jeong, Jae-Hyeok; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Crystal Engineering of Acentric Styryl Quinolinium Crystals with Strongly Hydrogen-Bonded Phenolic Anions","Crystal Growth & Design","2013","13","11","5085","","10.1021/cg401261z","","","0.71073","MoKα","","0.1336","0.0526","","","0.1335","0.1814","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508527","17.4536","0.0002","14.005","0.0004","10.2555","0.0005","90","","90","","90","","2506.83","0.14","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","α-naphthoxy-boronsubphthalocyanine","(1-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1298","0.0957","","","0.2025","0.2156","","","","","","1.155","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508528","17.1461","0.0008","13.9303","0.0004","10.3758","0.0004","90","","90","","90","","2478.26","0.17","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","β-naphthoxy-boronsubphthalocyanine","(2-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0673","0.0452","","","0.107","0.1186","","","","","","1.029","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508529","16.4833","0.0004","8.5514","0.0002","17.4722","0.0002","90","","101.009","0.0013","90","","2417.48","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-methoxyphenoxy-boronsubphthalocyanine","(4-methoxyphenoxy)(subphthalocyaninato) boron","","- C31 H19 B N6 O2 -","- C31 H19 B N6 O2 -","- C124 H76 B4 N24 O8 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0632","0.0438","","","0.1086","0.1212","","","","","","1.041","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508530","11.5031","0.0014","19.732","0.002","13.1619","0.0016","90","","95.295","0.003","90","","2974.7","0.6","147","2","147","2","","","","","","","","6","P 1 c 1","P -2yc","7","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C34 H7 B F12 N6 O -","- C34 H7 B F12 N6 O -","- C136 H28 B4 F48 N24 O4 -","4","2","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.099","0.0719","","","0.1882","0.2084","","","","","","1.029","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508531","11.5833","0.0004","12.7133","0.0003","41.9519","0.0016","90","","90","","90","","6177.9","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C37 H10 B F12 N6 O -","- C37 H10 B F12 N6 O -","- C296 H80 B8 F96 N48 O8 -","8","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1439","0.0646","","","0.152","0.2045","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508532","14.832","0.003","14.832","0.003","14.751","0.003","90","","90","","120","","2810.3","1","100","2","100","2","","","","","","","","4","P 32","P 32","145","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53 F O4 -","- C144 H159 F3 O12 -","3","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.082","0.056","","","0.1174","0.1287","","","","","","1.071","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508533","7.0769","0.0017","17.65","0.004","30.592","0.007","90","","90","","90","","3821.2","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53.001 F0.999 O4 -","- C192 H212.004 F3.996 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0632","0.0435","","","0.0932","0.1009","","","","","","1.052","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508534","7.0371","0.0011","17.64","0.003","31.045","0.005","90","","90","","90","","3853.8","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C48 H52 F2 O4 -","- C48 H52 F2 O4 -","- C192 H208 F8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0516","0.0395","","","0.0916","0.0978","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508535","12.6657","0.00029","13.1555","0.0004","26.4441","0.0007","90","","90","","90","","4406.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C208 H232 F8 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","x-ray","0.71073","MoKα","","0.0686","0.0558","","","0.1322","0.1407","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508536","12.898","0.002","13.128","0.002","28.309","0.005","90","","97.773","0.002","90","","4749.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,4-difluorobenzene","","- C54 H66 F2 N2 O6 -","- C54 H66 F2 N2 O6 -","- C216 H264 F8 N8 O24 -","4","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.1158","0.0665","","","0.1609","0.1889","","","","","","1.026","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508537","13.0753","0.0008","12.7032","0.0008","13.5212","0.0008","90","","103.593","0.001","90","","2182.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 4","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,4-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C104 H116 F4 N4 O8 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.071","0.0479","","","0.0871","0.0964","","","","","","1.07","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508538","12.77","0.002","13.057","0.002","26.323","0.004","90","","90","","90","","4389","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,2,4,5-tetrafluorobenzene","","- C52 H56 F4 N2 O4 -","- C52 H56 F4 N2 O4 -","- C208 H224 F16 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0603","0.0446","","","0.1103","0.1197","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508539","17.3857","0.0019","19.968","0.002","22.353","0.002","90","","90","","90","","7760","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl] -1,2,4,5-tetrafluorobenzene","","- C48 H50 F4 O4 -","- C48 H50 F4 O4 -","- C384 H400 F32 O32 -","8","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0559","0.0401","","","0.0924","0.1001","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508540","11.866","0.005","7.956","0.003","19.122","0.008","90","","101.329","0.005","90","","1770.1","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 6","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0367","0.0312","","","0.0779","0.081","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508541","8.5772","0.0002","8.5772","0.0002","25.7819","0.0007","90","","90","","90","","1896.73","0.08","304","","304","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C5 H9 F6 N2 P -","- C5 H9 F6 N2 P -","- C40 H72 F48 N16 P8 -","8","0.25","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.061","0.0575","","","0.1901","0.2001","","","","","","1.121","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508542","8.533","0.0002","10.0546","0.0003","13.6646","0.0004","90","","106.105","0.001","90","","1126.36","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure–Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.0409","0.0389","","","0.1118","0.1138","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508543","26.3657","0.0009","26.3657","0.0009","26.3657","0.0009","90","","90","","90","","18328.1","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C18 H6 Cu3 O12 S12.5 -","- C18 H6 Cu3 O12 S7.56 -","- C288 H96 Cu48 O192 S120.96 -","16","0.0833333","","Wang, Ziqi; Li, Xiang; Cui, Yuanjing; Yang, Yu; Pan, Hongge; Wang, Zhiyu; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Metal‒Organic Framework with Open Metal Sites for Enhanced Confinement of Sulfur and Lithium‒Sulfur Battery of Long Cycling Life","Crystal Growth & Design","2013","13","11","5116","","10.1021/cg401304x","","","0.71073","MoKα","","0.1156","0.0756","","","0.2165","0.2365","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508544","14.1099","0.0003","17.4778","0.0003","5.3403","0.0002","90","","90","","90","","1316.97","0.06","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0686","0.0714","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508545","7.6241","0.0003","9.5476","0.0004","17.8401","0.0007","90","","90","","90","","1298.61","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0552","0.0454","","","0.0776","0.0813","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508546","29.4803","0.0017","4.9462","0.0002","21.6558","0.0013","90","","119.462","0.008","90","","2749.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15.5 Cl0.5 N2 O2.5 -","- C15 H15.5 Cl0.5 N2 O2.5 -","- C120 H124 Cl4 N16 O20 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.0446","0.0368","","","0.097","0.1044","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508547","20.2651","0.0009","5.8463","0.0003","23.8489","0.0009","90","","95.724","0.004","90","","2811.4","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16.6 Cl0.4 N O2.6 -","- C16 H16.596 Cl0.402 N O2.598 -","- C128 H132.768 Cl3.216 N8 O20.784 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.1077","0.0558","","","0.1047","0.1293","","","","","","1.061","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508548","5.3472","0.0002","10.3235","0.0003","49.6238","0.0017","90","","90","","90","","2739.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C120 H104 Br8 N16 O8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0736","0.0589","","","0.0783","0.086","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508549","7.812","0.0002","9.5016","0.0003","18.04","0.0007","90","","90","","90","","1339.05","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0462","0.0376","","","0.0702","0.0739","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508550","5.0943","0.0011","11.11","0.002","26.065","0.005","90","","91.646","0.019","90","","1474.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.1347","0.067","","","0.125","0.1624","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508551","19.386129","0.000027","19.386129","","34.86739","0.00008","90","","90","","90","","13103.9","0.04","300","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 K15 Mo5 O15 -","- F15 K15 Mo5 O15 -","- F240 K240 Mo80 O240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508552","20.07484","0.00004","20.07484","","36.16937","0.00012","90","","90","","90","","14576.2","0.06","","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 Mo5 O15 Rb15 -","- F15 Mo5 O15 Rb15 -","- F240 Mo80 O240 Rb240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508553","12.543","0.003","6.6222","0.0016","22.218","0.005","90","","105.99","0.003","90","","1774.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Calcium Urate Hexahydrate","","","- C10 H18 Ca N8 O12 -","- C10 H18 Ca N8 O12 -","- C40 H72 Ca4 N32 O48 -","4","1","","Presores, Janeth B.; Cromer, Katherine E.; Capacci-Daniel, Christina; Swift, Jennifer A.","Calcium Urate Hexahydrate","Crystal Growth & Design","2013","13","12","5162","","10.1021/cg401356u","","","0.71073","MoKα","","0.112","0.0492","","","0.0884","0.1023","","","","","","0.915","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508554","8.273","0.005","28.875","0.005","18.694","0.005","90","0.005","95.048","0.005","90","0.005","4448","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N3 O4 Sn2 -","- C43 H66 N3 O4 Sn2 -","- C172 H264 N12 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet","2D-Coordination Polymer Containing Interconnected 82-Membered Organotin Macrocycles","Crystal Growth & Design","2013","13","11","4655","","10.1021/cg401363p","","","0.71069","MoKα","","0.0877","0.0556","","","0.1274","0.1768","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508555","11.3697","0.0006","15.0647","0.0007","17.648","0.0009","103.253","0.002","101.955","0.002","105.345","0.002","2719.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH269 Cd DDPrC[4] TMePhen","","","- C58 H70 Cd N4 O13 -","- C58 H64 Cd N4 O13 -","- C116 H128 Cd2 N8 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.0565","0.0439","","","0.1027","0.1092","","","","","","1.057","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508556","19.5995","0.0009","28.7424","0.0012","20.4414","0.0009","90","","91.627","0.003","90","","11510.7","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6","","","- C231 H251 Cd4 N13 O37 -","- C231 H251 Cd4 N13 O37 -","- C462 H502 Cd8 N26 O74 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1393","0.113","","","0.2668","0.2787","","","","","","1.82","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508557","17.4037","0.0006","18.8062","0.0007","21.2318","0.0007","89.389","0.002","73.509","0.002","65.333","0.002","6008.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH667","","","- C234 H286 Cd4 N16 O54 -","- C222 H232 Cd4 N14 O38 -","- C222 H232 Cd4 N14 O38 -","1","0.5","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0821","0.0629","","","0.1913","0.2064","","","","","","1.013","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508558","17.7359","0.001","19.866","0.0015","21.1162","0.0012","79.62","0.005","74.012","0.003","63.599","0.003","6392","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8 - PCH532 Cd A-DDBuC[4] TMEPhen","","","- C129 H175 Cd2 N11 O32 -","- C129 H157 Cd2 N11 O32 -","- C258 H314 Cd4 N22 O64 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1136","0.0873","","","0.2529","0.2811","","","","","","1.068","","","","has coordinates,has disorder","264242","2021-04-16","08:52:18",""
"4508559","15.8642","0.0004","15.8642","0.0004","42.9758","0.0015","90","","90","","90","","10815.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","PCH469","","","- C57 H65 Cd N5 O12 -","- C51 H42 Cd N3 O9 -","- C408 H336 Cd8 N24 O72 -","8","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0687","0.0643","","","0.1764","0.1804","","","","","","1.048","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508560","15.39","0.03","9.709","0.015","8.871","0.013","90","","92.27","0.02","90","","1324","4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0604","","","","0.1846","","","","","","1.027","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508561","10.775","0.002","10.872","0.002","11.032","0.002","81.525","0.003","89.898","0.003","81.386","0.003","1263.5","0.4","283","","283","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","2","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0636","","","","0.1771","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508562","10.8134","0.0015","15.288","0.002","15.328","0.002","86.723","0.002","89.963","0.002","78.969","0.002","2482.9","0.6","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","4","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0483","","","","0.1447","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508563","8.2744","0.0008","10.0481","0.0009","31.309","0.003","90","","90","","90","","2603.1","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0486","","","","0.155","","","","","","1.055","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508564","11.56","0.003","7.4129","0.0017","15.161","0.004","90","","90","","90","","1299.2","0.6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 F6 N2 -","- C13 H10 F6 N2 -","- C52 H40 F24 N8 -","4","0.5","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0558","","","","0.173","","","","","","1.112","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508565","9.767","0.003","16.487","0.005","17.72","0.006","90","","95.112","0.005","90","","2842.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Eu N4 O10 -","- C32 H21 Eu N4 O10 -","- C128 H84 Eu4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0742","0.0566","","","0.1086","0.1197","","","","","","1.243","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508566","9.9742","0.0005","16.5215","0.0007","17.4335","0.0008","90","","94.691","0.004","90","","2863.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Gd N4 O10 -","- C32 H21 Gd N4 O10 -","- C128 H84 Gd4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0533","0.0354","","","0.0705","0.085","","","","","","1.01","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508567","9.978","0.002","16.448","0.004","17.116","0.004","90","","94.16","0.005","90","","2801.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tb -","- C32 H21 N4 O10 Tb -","- C128 H84 N16 O40 Tb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0504","0.0435","","","0.0696","0.0721","","","","","","1.161","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508568","10.029","0.003","16.49","0.004","17.307","0.004","90","","94.575","0.005","90","","2853.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Dy N4 O10 -","- C32 H21 Dy N4 O10 -","- C128 H84 Dy4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0559","0.0503","","","0.0741","0.076","","","","","","1.235","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508569","10.03","0.0005","16.4986","0.0007","17.3274","0.0009","90","","94.501","0.004","90","","2858.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Ho N4 O10 -","- C32 H21 Ho N4 O10 -","- C128 H84 Ho4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0359","0.0315","","","0.0724","0.0749","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508570","10.0501","0.0009","16.4536","0.0013","17.0953","0.0014","90","","93.996","0.007","90","","2820","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Er N4 O10 -","- C32 H21 Er N4 O10 -","- C128 H84 Er4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0688","0.0574","","","0.1198","0.1254","","","","","","1.154","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508571","10.002","0.005","16.375","0.008","17.04","0.009","90","","94.053","0.007","90","","2784","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tm -","- C32 H21 N4 O10 Tm -","- C128 H84 N16 O40 Tm4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.049","0.0412","","","0.0678","0.0706","","","","","","1.141","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508572","9.99","0.003","16.448","0.004","17.358","0.005","90","","94.361","0.004","90","","2843.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Yb -","- C32 H21 N4 O10 Yb -","- C128 H84 N16 O40 Yb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0612","0.0486","","","0.0749","0.0796","","","","","","1.185","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508573","9.804","0.002","10.291","0.003","12.584","0.003","80.787","0.011","68.059","0.01","84.556","0.012","1161.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O4 Zn -","- C26 H28 N4 O4 Zn -","- C52 H56 N8 O8 Zn2 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0511","0.0497","","","0.1616","0.1631","","","","","","1.147","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508574","9.2841","0.0011","10.7513","0.0013","13.1913","0.0015","75.121","0.005","73.02","0.005","83.385","0.005","1215.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cd N4 O4 -","- C26 H28 Cd N4 O4 -","- C52 H56 Cd2 N8 O8 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0306","0.0303","","","0.0946","0.0948","","","","","","1.064","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508575","10.2678","0.0008","13.0131","0.001","15.9584","0.0011","90","","110.229","0.005","90","","2000.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0437","0.0357","","","0.1025","0.1084","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508576","10.327","0.003","12.999","0.004","15.985","0.005","90","","110.367","0.019","90","","2011.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0944","0.0909","","","0.2134","0.2161","","","","","","1.074","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508577","16.61","0.014","9.549","0.008","14.357","0.012","90","","112.545","0.012","90","","2103","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1417","0.0655","","","0.1754","0.212","","","","","","1.05","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508578","10.408","0.002","11.342","0.002","35.927","0.007","90","","90","","90","","4241.1","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.2118","0.04","","","0.0644","0.09","","","","","","0.654","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508579","10.365","0.006","14.306","0.008","16.199","0.009","67.375","0.01","79.079","0.007","71.988","0.007","2102","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","2","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1496","0.0457","","","0.0983","0.1234","","","","","","0.791","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508580","5.9523","0.0008","11.8173","0.0018","15.072","0.002","79.253","0.003","84.287","0.002","75.924","0.002","1008.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C48 H58 N2 O6 -","2","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.0573","0.0439","","","0.1148","0.1221","","","","","","1.069","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508581","12.234","0.0003","7.0165","0.0002","26.8821","0.0006","90","","98.35","0.001","90","","2283.09","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O3 P S -","- C29 H23 O3 P S -","- C116 H92 O12 P4 S4 -","4","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal–Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0481","0.0409","","","0.1035","0.111","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508582","14.8206","0.0014","13.3595","0.0012","18.0157","0.0018","90","","101.297","0.003","90","","3497.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C50 H38 O10 S34 -","- C50 H38 O10 S34 -","- C100 H76 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0754","0.0652","","","0.1946","0.211","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508583","9.7713","0.0003","10.3882","0.0003","13.5829","0.0004","77.722","0.001","80.749","0.001","84.399","0.001","1326.81","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 O4 P S -","- C32 H28 O4 P S -","- C64 H56 O8 P2 S2 -","2","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal–Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0396","0.0352","","","0.0919","0.0974","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508584","16.998","0.0004","13.1085","0.0002","16.7578","0.0004","90","","106.666","0.002","90","","3577.09","0.14","15","2","15","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.116","0.0626","","","0.1651","0.1846","","","","","","0.967","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508585","17.0026","0.0004","13.1098","0.0002","16.7604","0.0004","90","","106.641","0.002","90","","3579.44","0.14","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1368","0.0617","","","0.1532","0.1757","","","","","","0.861","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508586","17.0277","0.0004","13.1266","0.0002","16.7777","0.0004","90","","106.468","0.002","90","","3596.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1132","0.0824","","","0.2475","0.2682","","","","","","1.125","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508587","17.0424","0.0004","13.1358","0.0002","16.7881","0.0004","90","","106.441","0.002","90","","3604.61","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1154","0.0812","","","0.2441","0.2679","","","","","","1.104","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508588","17.0782","0.0004","13.1485","0.0002","16.8083","0.0004","90","","106.501","0.002","90","","3618.9","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1142","0.0809","","","0.2445","0.2666","","","","","","1.099","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508589","17.1362","0.0005","13.1715","0.0003","16.8588","0.0005","90","","106.732","0.003","90","","3644.09","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1215","0.0767","","","0.2273","0.2532","","","","","","0.974","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508590","17.211","0.0006","13.1953","0.0003","16.9054","0.0006","90","","106.968","0.004","90","","3672.2","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1317","0.0782","","","0.2214","0.2506","","","","","","0.918","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508591","17.3172","0.0005","13.2234","0.0003","16.9505","0.0006","90","","107.315","0.003","90","","3705.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1357","0.0809","","","0.2382","0.2733","","","","","","0.873","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508592","18.1674","0.0001","18.1674","0.0001","18.1674","0.0001","90","","90","","90","","5996.23","0.06","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 In N6 O12 Ru -","- C36 In N6 O12 Ru -","- C144 In4 N24 O48 Ru4 -","4","0.0208333","","Zhang, Shuquan; Han, Liang; Li, Lina; Cheng, Jing; Yuan, Daqiang; Luo, Junhua","A Highly Symmetric Metal‒Organic Framework Based on a Propeller-Like Ru-Organic Metalloligand for Photocatalysis and Explosives Detection","Crystal Growth & Design","2013","13","12","5466","","10.1021/cg401438j","","","1.54184","CuKα","","0.0742","0.0727","","","0.2373","0.2391","","","","","","1.236","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508593","4.7867","0.0007","8.0049","0.0011","6.9093","0.001","90","","109.003","0.002","90","","250.32","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cr Li O7 P2 -","- Cr Li O7 P2 -","- Cr2 Li2 O14 P4 -","2","1","","Pachoud, Elise; Zhang, Weiguo; Tapp, Joshua; Liang, Kao-Chen; Lorenz, Bernd; Chu, Paul C. W.; Halasyamani, P. Shiv","Top-Seeded Single-Crystal Growth, Structure, and Physical Properties of Polar LiCrP2O7","Crystal Growth & Design","2013","13","12","5473","","10.1021/cg401442r","","","0.71073","MoKα","","0.0178","0.0177","","","0.0498","0.0499","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508594","13.6393","0.0003","12.9385","0.0003","20.2697","0.0005","90","","92.442","0.001","90","","3573.79","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 F6 N5 Ni O8 -","- C31 H31 F6 N5 Ni O8 -","- C124 H124 F24 N20 Ni4 O32 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1297","0.0722","","","0.1908","0.2215","","","","","","1.056","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508595","26.5039","0.0006","24.8378","0.0006","18.6663","0.0004","90","","120.771","0.001","90","","10558.1","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 N9 Ni2 O11 -","- C41 H40 N9 Ni2 O11 -","- C328 H320 N72 Ni16 O88 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1375","0.0794","","","0.2077","0.2316","","","","","","1.164","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508596","10.13","0.0006","19.4772","0.0012","13.3539","0.0008","90","","90","","90","","2634.8","0.3","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H42 N4 Ni O5 -","- C26 H34 N4 Ni O5 -","- C104 H136 N16 Ni4 O20 -","4","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0491","0.041","","","0.0962","0.0984","","","","","","1.109","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508597","13.739","0.006","15.73","0.007","18.234","0.008","90","","90","","90","","3941","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N10 Ni O8 S2 -","- C36 H38 N10 Ni O8 S2 -","- C144 H152 N40 Ni4 O32 S8 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1306","0.0602","","","0.1274","0.1552","","","","","","0.989","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508598","12.2794","0.0014","9.136","0.001","16.2151","0.0017","90","","103.224","0.004","90","","1770.8","0.3","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H48 N8 Ni O6 -","- C34 H45 N8 Ni O6 -","- C68 H90 N16 Ni2 O12 -","2","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0669","0.0522","","","0.1437","0.1517","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508599","10.178","0.006","12.409","0.007","13.39","0.008","78.63","0.016","75.404","0.015","85.896","0.016","1604","1.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 N4 Ni O6 S -","- C25 H24 N4 Ni O6 S -","- C50 H48 N8 Ni2 O12 S2 -","2","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0912","0.0538","","","0.131","0.148","","","","","","0.943","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508600","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508601","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508602","29.9759","0.0001","29.9759","0.0001","29.9759","0.0001","90","","90","","90","","26935","0.16","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C52 H32 Cu4 N4 O18 -","- C52.12 Cu4.02 N3.96 O19.98 -","- C416.96 Cu32.16 N31.68 O159.84 -","8","0.0416667","","Lin, Qipu; Bu, Xianhui; Feng, Pingyun","Perfect Statistical Symmetrization of a Heterofunctional Ligand Induced by Pseudo-Copper Trimer in an Expanded Matrix of HKUST-1","Crystal Growth & Design","2013","13","12","5175","","10.1021/cg401579z","","","0.71073","MoKα","","0.0956","0.0798","","","0.2275","0.2504","","","","","","1.037","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4510605","14.46","0.006","6.9","0.002","16.821","0.008","90","","99.628","0.016","90","","1654.7","1.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1204","0.0583","","","0.1021","0.1181","","","","","","1.11","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510606","14.469","0.006","6.995","0.002","16.938","0.008","90","","99.715","0.016","90","","1689.7","1.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1114","0.0547","","","0.0864","0.0995","","","","","","1.142","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510607","14.473","0.006","6.872","0.002","16.755","0.008","90","","99.721","0.016","90","","1642.5","1.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1132","0.0537","","","0.1015","0.1157","","","","","","1.08","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510608","14.457","0.006","6.943","0.002","16.878","0.008","90","","99.648","0.016","90","","1670.2","1.2","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1044","0.053","","","0.0937","0.1037","","","","","","1.354","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510609","14.37","0.006","6.25","0.002","16.67","0.008","90","","99.413","0.016","90","","1477","1.1","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1138","0.0668","","","0.1291","0.1416","","","","","","1.264","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510610","14.426","0.006","6.808","0.002","16.712","0.008","90","","99.429","0.016","90","","1619.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1067","0.0545","","","0.1032","0.1152","","","","","","1.119","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510611","9.7845","0.0015","8.9435","0.0013","9.45","0.0012","90","","97.577","0.005","90","","819.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0881","0.0442","","","0.0954","0.1423","","","","","","1.145","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510612","9.9026","0.001","8.9085","0.0008","9.4714","0.0007","90","","96.533","0.003","90","","830.12","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0794","0.0423","","","0.0992","0.1263","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510613","10.0486","0.0012","8.8884","0.0009","9.5167","0.0008","90","","95.634","0.003","90","","845.89","0.15","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0893","0.0516","","","0.1115","0.1282","","","","","","0.975","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510614","20.08","0.005","8.7","0.005","9.6","0.005","90","","109.75","0.01","90","","1578.4","1.3","20","","20","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.0705","0.0448","","","0.1266","0.1387","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510615","20.3727","0.0012","8.7522","0.0004","9.6991","0.0006","90","","110.093","0.002","90","","1624.15","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0314","0.0293","","","0.0839","0.0852","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510616","21.042","0.003","8.7285","0.0009","9.7693","0.001","90","","111.118","0.004","90","","1673.8","0.3","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0421","0.0345","","","0.1006","0.1059","","","","","","1.104","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510617","20.6923","0.0018","8.7492","0.0006","9.7407","0.0009","90","","110.57","0.003","90","","1651","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0347","0.0314","","","0.0888","0.091","","","","","","1.054","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510618","10.6829","0.0014","20.759","0.003","10.5063","0.0015","90","","95.807","0.012","90","","2318","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","syn-1a.2MeOH","","","- C16 H30 B10 N2 O4 -","- C16 H30 B10 N2 O4 -","- C64 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1138","0.0701","","","0.178","0.2193","","","","","","1.059","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510619","28.26","0.002","16.0016","0.0008","20.5751","0.0016","90","","111.289","0.009","90","","8669.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","anti-1a.MeOH","","","- C15 H26 B10 N2 O3 -","- C15 H26 B10 N2 O3 -","- C240 H416 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1178","0.0818","","","0.2251","0.2529","","","","","","1.082","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510620","16.04","0.003","20.284","0.004","26.321","0.006","90","","90","","90","","8564","3","100","2","100","2","","","","","","","Will Stoate","5","P b c a","-P 2ac 2ab","61","Anti-1a:EtOH","","","- C16 H28 B10 N2 O3 -","- C16 H28 B10 N2 O3 -","- C256 H448 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71075","MoKα","","0.1382","0.1264","","","0.2439","0.2499","","","","","","1.35","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510621","14.947","0.003","11.1698","0.0019","11.0133","0.0018","90","","90","","90","","1838.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","syn-1b","","","- C14 H22 B10 N2 O2 -","- C14 H22 B10 N2 O2 -","- C56 H88 B40 N8 O8 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1112","0.0638","","","0.1263","0.1544","","","","","","0.994","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510622","6.8505","0.0002","22.9746","0.0008","15.8013","0.0006","90","","93.117","0.002","90","","2483.25","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","anti-1d:2H20","","","- C22 H30 B10 N2 O4 -","- C22 H30 B10 N2 O4 -","- C88 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","1.54178","CuKα","","0.0543","0.0393","","","0.0941","0.103","","","","","","1.044","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510623","12.7294","0.0002","15.8942","0.0003","20.7959","0.0005","87.452","0.001","72.76","0.001","85.372","0.001","4004.43","0.14","120","2","120","2","","","","","","","Jose Giner Planas","4","P -1","-P 1","2","syn-1f:0.25H2O","","","- C64 H98 B40 O9 -","- C64 H98 B40 O9 -","- C128 H196 B80 O18 -","2","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1065","0.0719","","","0.1538","0.1688","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510624","14.555","0.004","14.95","0.004","8.557","0.003","90","","92.473","0.004","90","","1860.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aceclofenac-piperazine(0.5)-hydrate","","- C18 H20 Cl2 N2 O5 -","- C18 H20 Cl2 N2 O5 -","- C72 H80 Cl8 N8 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0351","0.0335","","","0.0814","0.0825","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510625","18.379","0.004","4.3789","0.0011","13.658","0.003","90","","90","","90","","1099.2","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetyloxy-3-acetylaminobenzoic acid","2-acetyloxy-3-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.1533","0.0913","","","0.1723","0.2057","","","","","","1.178","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510626","7.9457","0.0002","8.0305","0.0002","9.6719","0.0002","110.801","0.001","99.754","0.002","105.371","0.002","531.97","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-acetyloxy-5-acetylaminobenzoic acid","2-acetyloxy-5-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0388","0.035","","","0.0905","0.0933","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510627","9.8775","0.0005","4.8547","0.0002","18.343","0.001","90","","104.957","0.002","90","","849.79","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7.43 F0.57 O4 -","- C9 H7.43 F0.57 O4 -","- C36 H29.72 F2.28 O16 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0799","0.0469","","","0.0958","0.1082","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510628","10.986","0.007","14.734","0.009","26.658","0.016","90","","98.132","0.01","90","","4272","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H48 As2 N7 O37 W8 -","- C7 H28 As2 N7 O37 W8 -","- C28 H112 As8 N28 O148 W32 -","4","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0531","0.0345","","","0.0606","0.0643","","","","","","0.992","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510629","13.2557","0.0014","17.1985","0.0019","22.291","0.002","73.312","0.002","74.903","0.002","80.82","0.002","4680","0.8","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C13 H91 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C13 H52 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C26 H104 As4 Cl3 N26 Na Ni6 O148 W34 -","2","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.077","0.0512","","","0.1219","0.1312","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510630","16.933","0.006","14.724","0.005","18.359","0.005","90","","120.21","0.02","90","","3956","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H68 As2 N12 Ni4 O78 W18 -","- C12 H48 As2 N12 Ni4 O78 W18 -","- C24 H96 As4 N24 Ni8 O156 W36 -","2","0.5","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0434","0.0308","","","0.062","0.0656","","","","","","1.002","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510631","11.914","0.0016","10.714","0.002","16.176","0.002","90","","109.43","0.01","90","","1947.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ditheobrominesilver(I) perchlorate","Ditheobrominesilver(I) perchlorate","","- C14 H16 Ag Cl N8 O8 -","- C14 H16 Ag Cl N8 O8 -","- C56 H64 Ag4 Cl4 N32 O32 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0753","0.0381","","","0.0955","0.1094","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510632","7.4803","0.0008","16.162","0.003","16.974","0.0018","90","","101.21","0.008","90","","2012.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Aquaditherobrominesilver(I) perchlorate","Aquaditherobrominesilver(I) perchlorate","","- C14 H18 Ag Cl N8 O9 -","- C14 H18 Ag Cl N8 O9 -","- C56 H72 Ag4 Cl4 N32 O36 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic–Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0457","0.034","","","0.0914","0.1018","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510633","7.2094","0.0004","14.3497","0.0008","15.5978","0.0009","69.658","0.004","83.826","0.004","86.8","0.004","1503.93","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver) tetrahydrogendecavandate","Bis(ditheobrominesilver)tetrahydrogendi-mu6-oxo-tetra-mu3-oxo- tetradeca-mu-oxo-octaoxodecavanadate trihydrate","","- C28 H42 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0667","0.044","","","0.1308","0.1444","","","","","","1.05","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510634","12.8296","0.0004","14.24","0.0004","22.0804","0.0006","90.268","0.002","98.412","0.002","94.089","0.002","3979.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C112 H128 Ag8 Cr8 N64 O62 -","4","2","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0755","0.052","","","0.1369","0.1501","","","","","","1.025","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510635","7.1571","0.001","12.0982","0.0016","12.256","0.0019","80.026","0.017","79.179","0.017","87.789","0.016","1026.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.089","0.0382","","","0.0755","0.0875","","","","","","0.848","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510636","21.7118","0.0006","17.8399","0.0004","18.8061","0.0005","90","","122.236","0.002","90","","6161.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(ditheobrominesilver)hydroniumsilveroctamolybdate hexahydrate","Bis(ditheobrominesilver)hydronium(silverdi-mu4-oxo-tetra-mu3- oxo-hexa-mu-oxo-tetradecaoxooctamolybdate) hexahydrate","","- C28 H47 Ag3 Mo8 N16 O41 -","- C28 H32 Ag3 Mo8 N16 O41 -","- C112 H128 Ag12 Mo32 N64 O164 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0441","0.0372","","","0.1177","0.1227","","","","","","1.043","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510637","28.0789","0.0011","6.3957","0.0001","21.3742","0.0008","90","","98.857","0.003","90","","3792.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Di(theobrominesilver)silver hexahydrogenoctamolybdatochromate","Di(theobrominesilver)silver hexa-mu3-hydroxo-hexa-mu-oxo- [7-chromiumhexakis(dioxomolybdenum)]ate","","- C14 H26 Ag3 Cr Mo6 N8 O30 -","- C14 H22 Ag3 Cr Mo6 N8 O30 -","- C56 H88 Ag12 Cr4 Mo24 N32 O120 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0412","0.0309","","","0.0758","0.0806","","","","","","1.027","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510638","10.4692","0.001","12.1347","0.0012","14.4977","0.0014","85.47","0.008","77.104","0.008","77.693","0.008","1753.1","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","Bis(ditheobrominesilver)hexamolybdatonickelate dihydronium dihydrogencarbonate pentadecahydrate","Bis(ditheobrominesilver) dihydronium hexa-mu3-hydroxo-hexa-mu-oxo- [7-nickelhexakis(dioxomolybdenum)]ate dihydrogencarbonate pentadecahydrate'","","- C29 H76 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0406","0.0383","","","0.0995","0.1017","","","","","","1.086","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510639","11.9883","0.0004","11.9883","0.0004","11.9883","0.0004","90","","90","","90","","1722.95","0.1","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","mayenite","","","- Al14 Ca12 O33 -","- Al14.004 Ca11.994 O32.984 -","- Al28.008 Ca23.988 O65.968 -","2","0.0416667","","Ebbinghaus, Stefan G.; Krause, Holger; Syrowatka, Frank","Floating Zone Growth of Large and Defect-free Ca12Al14O33Single Crystals","Crystal Growth & Design","2013","13","7","2990","","10.1021/cg400406t","","","0.71073","MoKα","","0.0263","0.026","","","0.0555","0.0557","","","","","","1.117","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510640","7.0587","0.0012","12.432","0.002","19.09","0.004","90","","90","","90","","1675.2","0.5","223","2","223","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C16 H10 Ba2 O10 -","- C16 H10 Ba2 O10 -","- C64 H40 Ba8 O40 -","4","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0162","0.0156","","","0.0412","0.0414","","","","","","1.131","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510641","6.9551","0.0019","5.9467","0.0015","13.852","0.004","90","","92.399","0.004","90","","572.4","0.3","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H4 Ba0.5 O2 -","- C7 H4 Ba0.5 O2 -","- C28 H16 Ba2 O8 -","4","0.5","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0129","0.0129","","","0.0345","0.0345","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510642","25.984","0.003","25.984","0.003","13.9986","0.0015","90","","90","","90","","9451.4","1.8","223","2","223","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C256 H152 Ba24 N8 O136 -","16","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.044","0.0396","","","0.1315","0.1483","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510643","9.289","0.004","10.21","0.005","17.241","0.007","90","","99.938","0.003","90","","1610.6","1.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[diaqua(mu-isophthalato-k2O,O':kO'')(9-methyladenine-kN7)copper(II)]","","- C14 H15 Cu N5 O6 -","- C14 H15 Cu N5 O6 -","- C56 H60 Cu4 N20 O24 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0559","0.0395","","","0.0932","0.0979","","","","","","0.929","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510644","16.628","0.0004","16.628","0.0004","11.049","0.0005","90","","90","","90","","3054.94","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","","Poly[(mu-isophthalato-k2O,O':k2O'',O''')(mu-9-methyladenine-kN1:kN7)copper(II)]","","- C14 H11 Cu N5 O4 -","- C14 H4 Cu N5 O4 -","- C112 H32 Cu8 N40 O32 -","8","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.142","0.1286","","","0.2582","0.2662","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510645","13.458","0.002","13.046","0.001","13.826","0.002","90","","96.922","0.012","90","","2409.8","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[bis(mu-isophthalato-kO:kO':kO'':kO''')bis(9-methyladenine-kN7) dicopper(II)‒isophthalic acid (1/2)]","","- C44 H34 Cu2 N10 O16 -","- C44 H34 Cu2 N10 O16 -","- C88 H68 Cu4 N20 O32 -","2","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.204","0.105","","","0.2571","0.3001","","","","","","0.894","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510646","9.628","0.001","19.315","0.001","14.872","0.001","90","","108.705","0.003","90","","2619.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[aquabis(mu-isophthalato-kO:kO':k2O'',O''')(mu-9-methyladenina-kN1:kN7) dicopper(II)‒water (1/1)]","","- C22 H19 Cu2 N5 O10 -","- C22 H17 Cu2 N5 O10 -","- C88 H68 Cu8 N20 O40 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0748","0.0628","","","0.1621","0.1688","","","","","","1.041","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510647","9.236","0.0004","12.465","0.0007","23.213","0.0009","90.297","0.004","96.642","0.004","104.656","0.004","2566.5","0.2","100","2","100","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly[diaqua(mu3-isophthalato-kO:kO':k2O'',O''')(mu3-isophthalato-kO:kO':kO'') (mu-9-methyladenine-kN1:kN7)dicopper(II)‒water (1/1.5)]","","- C22 H22 Cu2 N5 O11.5 -","- C22 H19 Cu2 N5 O11.5 -","- C88 H76 Cu8 N20 O46 -","4","2","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","1.5418","CuKα","","0.0939","0.0614","","","0.1566","0.1736","","","","","","0.951","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510648","13.305","0.006","6.499","0.003","11.757","0.005","90","","101.85","0.03","90","","995","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1176","0.0778","","","0.1917","0.2126","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510649","6.18","0.001","7.077","0.0014","7.501","0.003","71.746","0.018","82.23","0.03","84.99","0.02","308.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0305","0.0259","","","0.0682","0.0711","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510650","6.496","0.0012","7.198","0.002","8.464","0.002","99.4","0.02","105.66","0.03","116.19","0.02","323.16","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0548","0.0491","","","0.1313","0.1337","","","","","","1.23","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510651","6.253","0.0003","7.102","0.0003","7.458","0.0005","71.638","0.004","82.203","0.004","84.028","0.003","310.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0405","0.0296","","","0.0745","0.0798","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510652","13.368","0.007","6.521","0.003","11.799","0.005","90","","102.41","0.02","90","","1004.5","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1054","0.0744","","","0.1958","0.2187","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510653","6.505","0.0005","7.299","0.0008","8.451","0.001","99.413","0.011","105.548","0.008","116.344","0.009","327.35","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0584","0.0409","","","0.0932","0.0984","","","","","","1.143","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510654","5.5208","0.0005","7.884","0.0007","20.7272","0.0019","95.613","0.011","95.529","0.011","97.858","0.011","883.89","0.14","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C0C13]Br","","","- C16 H30 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0422","0.0379","","","0.0906","0.0919","","","","","","1.022","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510655","17.125","0.002","8.2532","0.0007","13.0073","0.0014","90","","103.102","0.014","90","","1790.5","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[C2C11]Br","","","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","1","0.25","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0919","0.0515","","","0.1","0.11","","","","","","0.855","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510656","11.029","0.001","10.759","0.002","26.357","0.004","90","","90","","90","","3127.5","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BuG","","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C108 H156 N60 O12 -","12","3","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1399","0.115","","","0.3072","0.333","","","","","","1.329","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510657","10.219","0.004","10.475","0.007","12.735","0.004","69.56","0.03","85.46","0.03","61.98","0.03","1121.7","1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(BuGH)(F2TCNQ)(MeOH)","","","- C22 H20 F2 N9 O2 -","- C22 H20 F2 N9 O2 -","- C44 H40 F4 N18 O4 -","2","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1834","0.0704","","","0.1624","0.2219","","","","","","0.998","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510658","21.8346","0.0015","6.8446","0.0003","29.771","0.003","90","","99.016","0.008","90","","4394.3","0.6","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(BuGH)(F4TCNQ)","","","- C21 H14 F4 N9 O -","- C21 H14 F4 N9 O -","- C168 H112 F32 N72 O8 -","8","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","1.54187","CuKα","","0.3859","0.0613","","","0.1806","0.1935","","","","","","1.05","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510659","8.81048","0.00029","8.81048","0.00029","7.34274","0.00025","90","","90","","90","","569.98","0.03","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-co(ii)","","- C10 H12 Co N4 -","- C10 H12 Co N4 -","- C20 H24 Co2 N8 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510660","13.46169","0.00038","13.46169","0.00038","13.46169","0.00038","90","","90","","90","","2439.49","0.12","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cu(ii)","","- C10 H12 Cu N4 -","- C10 Cu N4 -","- C80 Cu8 N32 -","8","0.0833333","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510661","9.132637","0.00007","9.132637","0.00007","23.09972","0.00024","90","","90","","120","","1668.51","0.03","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cd(ii)","","- C10 H12 Cd N4 -","- C9 H12 Cd N4 -","- C54 H72 Cd6 N24 -","6","0.5","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510662","8.81181","0.00053","8.81181","0.00053","7.36675","0.00047","90","","90","","90","","572.01","0.06","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-zn(ii)","","- C10 H12 N4 Zn -","- C10 H12 N4 Zn -","- C20 H24 N8 Zn2 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510663","17.8701","0.0005","13.8872","0.0004","18.4391","0.0005","90","","92.262","0.002","90","","4572.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 N O28 U4 -","- C33 H27 N O28 U4 -","- C132 H108 N4 O112 U16 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0499","0.0292","","","0.0507","0.056","","","","","","1","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510664","10.6636","0.0003","13.3253","0.0003","20.0859","0.0005","90","","90","","90","","2854.12","0.12","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C13 H5 O17 U3 -","- C13 H5 O17 U3 -","- C52 H20 O68 U12 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0342","0.0251","","","0.0956","0.1118","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510665","15.159","0.003","15.881","0.003","20.187","0.004","90","","101.589","0.003","90","","4760.7","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 N6 O2 S2 -","- C52 H61 N6 O2 S2 -","- C208 H244 N24 O8 S8 -","4","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.125","0.0976","","","0.2493","0.2731","","","","","","1.04","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510666","13.6426","0.0007","16.9738","0.0009","21.6609","0.0011","76.672","0.001","76.647","0.001","73.102","0.001","4597.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C105 H141 N15 O3 -","- C105 H133 N15 O3 -","- C210 H266 N30 O6 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1084","0.075","","","0.2107","0.2373","","","","","","1.062","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510667","13.522","0.0013","17.126","0.0016","21.666","0.002","76.641","0.003","76.489","0.003","73.53","0.003","4604.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H70 N7 O -","- C54 H70 N7 O -","- C216 H280 N28 O4 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0997","0.0617","","","0.1541","0.1817","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510668","13.8582","0.0009","16.7514","0.0011","21.7956","0.0014","75.173","0.001","75.923","0.001","70.749","0.001","4547.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H66 N8 -","- C52 H66 N8 -","- C208 H264 N32 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1162","0.0924","","","0.2153","0.2308","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510669","12.3872","0.0015","15.5922","0.0019","16.3762","0.0019","97.037","0.002","93.522","0.002","109.287","0.002","2945.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H74 N13 O26.5 -","- C48 H74 N13 O26.5 -","- C96 H148 N26 O53 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0892","0.0746","","","0.1836","0.1925","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510670","17.2","0.02","17.66","0.019","22.55","0.03","76.041","0.016","79.935","0.011","79.327","0.018","6471","13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H136 Cl12 N12 O66 -","- C97 H136 Cl12 N12 O66 -","- C194 H272 Cl24 N24 O132 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.135","0.0815","","","0.2219","0.2693","","","","","","1.068","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510671","5.5237","0.0001","6.709","0.0002","26.8532","0.0005","90","","90","","90","","995.14","0.04","100","2","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.7107","MoKα","","0.036","0.034","","","","0.025","","","","","","1.845","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510672","6.68","0.0002","9.2116","0.0002","16.3534","0.0004","90","","90","","90","","1006.28","0.04","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.71073","MoKα","","0.0515","0.0414","","","0.0939","0.0999","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510673","8.5139","0.0006","10.2165","0.0007","11.0721","0.0008","64.208","0.001","71.563","0.001","80.752","0.001","822.32","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Er N O8 -","- C15 H15 Er N O8 -","- C30 H30 Er2 N2 O16 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0226","0.0207","","","0.0495","0.0507","","","","","","1.011","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510674","8.6514","0.0009","10.1531","0.0011","11.1703","0.0012","65.437","0.001","71.666","0.002","78.421","0.002","844.31","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Tm -","- C15 H15 N O8 Tm -","- C30 H30 N2 O16 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0318","0.0298","","","0.0805","0.0824","","","","","","1.088","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510675","10.0691","0.0006","10.9491","0.0007","13.2211","0.0008","99.755","0.001","110.245","0.001","107.793","0.001","1238.82","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0479","0.0366","","","0.0929","0.0976","","","","","","1.003","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510676","9.955","0.003","12.795","0.003","13.801","0.004","69.415","0.004","82.562","0.004","83.117","0.004","1626.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O10 Tm -","- C21 H27 N O10 Tm -","- C42 H54 N2 O20 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.047","0.0422","","","0.1201","0.1252","","","","","","1.16","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510677","9.493","0.007","13.225","0.01","16.232","0.012","111.729","0.013","100.554","0.012","91.879","0.012","1850","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Er N2 O6 -","- C30 H26 Er N2 O6 -","- C60 H52 Er2 N4 O12 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.089","0.056","","","0.1171","0.126","","","","","","0.914","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510678","17.488","0.014","13.252","0.011","18.842","0.016","90","","111.044","0.013","90","","4075","6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O7 Tm -","- C12 H8 O7 Tm -","- C96 H64 O56 Tm8 -","8","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0961","0.075","","","0.1808","0.189","","","","","","0.927","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510679","10.8639","0.0015","18.667","0.003","19.84","0.003","98.035","0.002","96.535","0.002","106.185","0.002","3776.4","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N2 O28 Tm4 -","- C54 H42 N2 O28 Tm4 -","- C108 H84 N4 O56 Tm8 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0893","0.0493","","","0.1006","0.1137","","","","","","0.86","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510680","11.24","0.0013","12.2825","0.0015","12.5391","0.0015","82.674","0.002","84.972","0.002","87.645","0.002","1709.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0553","0.0392","","","0.0886","0.0965","","","","","","1.017","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510681","14.962","0.004","22.172","0.004","14.887","0.002","90","","117.59","0.03","90","","4377","1.9","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cu4 N8 Na8 O50.4 S4 -","- C68.6 H70 Cu4 N8 Na8 O50.4 S4 -","- C137.2 H140 Cu8 N16 Na16 O100.8 S8 -","2","0.5","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1578","0.0727","","","0.1275","0.16","","","","","","1.018","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4510682","17.5187","0.0006","26.0111","0.0005","39.6741","0.0011","90","","90","","90","","18078.7","0.9","122","4","122","4","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C16 H8 Cu N2 Na2 O12.88 S -","- C16 H8 Cu N2 Na2.0155 O12.806 S -","- C512 H256 Cu32 N64 Na64.496 O409.792 S32 -","32","1","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1077","0.0843","","","0.2253","0.2498","","","","","","1.06","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510683","8.6339","0.0007","9.7493","0.001","10.677","0.0009","90","","90","","90","","898.73","0.14","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0382","0.0338","","","0.0917","0.0952","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510684","8.6363","0.0007","9.7488","0.001","10.6774","0.0009","90","","90","","90","","898.97","0.14","122.5","0.2","122.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0379","0.0334","","","0.0918","0.0954","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510685","8.6391","0.0007","9.7496","0.0008","10.6781","0.0009","90","","90","","90","","899.39","0.13","125","2","125","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0393","0.0342","","","0.0942","0.0985","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510686","8.6694","0.0008","9.7494","0.0011","10.6773","0.0011","90","","90","","90","","902.46","0.16","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0402","0.0343","","","0.0972","0.1022","","","","","","1.111","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510687","8.7025","0.0008","9.7517","0.0012","10.6812","0.0011","90","","90","","90","","906.45","0.17","175","2","175","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.043","0.0346","","","0.0982","0.1052","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510688","8.7381","0.0008","9.7559","0.0008","10.6842","0.0009","90","","90","","90","","910.81","0.14","200","2","200","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0499","0.0376","","","0.1059","0.1159","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510689","8.7429","0.0008","9.7551","0.0009","10.6814","0.001","90","","90","","90","","910.99","0.15","202.5","0.2","202.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.05","0.0366","","","0.104","0.1146","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510690","8.7476","0.0008","9.7566","0.0011","10.67932","0.00011","90","","90","","90","","911.45","0.13","205","2","205","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0486","0.0349","","","0.0973","0.1083","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510691","8.7516","0.0009","9.75","0.0012","10.6831","0.0011","90","","90","","90","","911.57","0.17","207.5","0.2","207.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0494","0.0348","","","0.0983","0.1088","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510692","8.7564","0.0009","9.7605","0.0012","10.6773","0.0012","90","","90","","90","","912.56","0.18","210","2","210","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0521","0.0358","","","0.1004","0.1128","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510693","8.761","0.0009","9.7586","0.0012","10.678","0.0011","90","","90","","90","","912.92","0.17","212.5","0.2","212.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0519","0.0359","","","0.1","0.1108","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510694","8.766","0.0009","9.758","0.0012","10.6754","0.0011","90","","90","","90","","913.16","0.17","215","2","215","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0541","0.0364","","","0.1021","0.114","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510695","8.7689","0.0009","9.7602","0.001","10.674","0.001","90","","90","","90","","913.55","0.16","217.5","0.2","217.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0552","0.0347","","","0.0963","0.1056","","","","","","0.949","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510696","8.8777","0.0009","9.7614","0.0012","10.684","0.0012","90","","90","","90","","925.86","0.18","220","2","220","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0612","0.0369","","","0.1075","0.1241","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510697","8.8708","0.001","9.754","0.001","5.3493","0.001","90","","90","","90","","462.85","0.11","220","2","220","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0337","0.0327","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510698","8.8779","0.0008","9.7606","0.0011","5.3422","0.0005","90","","90","","90","","462.92","0.08","222.5","0.2","222.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0342","0.0332","","","0.0944","0.0957","","","","","","1.01","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510699","8.783","0.0009","9.7595","0.0012","5.3416","0.0006","90","","90","","90","","457.87","0.09","225","2","225","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0339","0.0326","","","0.0866","0.0881","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510700","8.7856","0.0009","9.7596","0.0013","5.3418","0.0006","90","","90","","90","","458.03","0.09","227.5","0.2","227.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0345","0.0336","","","0.0876","0.0883","","","","","","1.083","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510701","8.7889","0.0009","9.7596","0.0012","5.3418","0.0006","90","","90","","90","","458.2","0.09","230","2","230","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0349","0.0339","","","0.0904","0.0913","","","","","","1.072","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510702","8.8206","0.0009","9.7598","0.0013","5.344","0.0006","90","","90","","90","","460.05","0.09","253","2","253","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0332","0.0324","","","0.0882","0.0892","","","","","","1.084","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510703","8.874","0.0009","9.757","0.0013","5.3488","0.0006","90","","90","","90","","463.12","0.09","295","2","295","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0366","0.0361","","","0.1011","0.1017","","","","","","1.065","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510704","6.0197","0.0011","12.929","0.003","20.964","0.004","90","","90","","90","","1631.6","0.6","296","2","296","2","1800000","","","","","","","5","P c 21 b","P -2bc -2c","29","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C48 H104 Cl8 N16 O32 -","8","2","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1466","0.0907","","","0.1682","0.1946","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510705","8.771","0.003","9.673","0.003","5.3402","0.0012","90","","90","","90","","453.1","0.2","296","2","296","2","200000","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H12 Cl N2 O4 -","- C12 H24 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0966","0.0727","","","0.1694","0.1834","","","","","","1.058","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510706","8.496","0.004","9.4293","0.0016","10.6475","0.0013","90","","90","","90","","853","0.4","296","2","296","2","1000000","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1094","0.1005","","","0.2092","0.2142","","","","","","1.17","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510707","10.1561","0.0012","12.9047","0.0016","11.6393","0.0014","90","","106.807","0.005","90","","1460.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Ag N4 O4 -","- C12 H15 Ag N4 O4 -","- C48 H60 Ag4 N16 O16 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0356","0.0269","","","0.0497","0.0527","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510708","10.5635","0.0005","10.6997","0.0005","15.365","0.0008","89.306","0.002","86.036","0.002","64.02","0.002","1557.1","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Ag F3 N3 O2.5 -","- C14 H14 Ag F3 N3 O2.5 -","- C56 H56 Ag4 F12 N12 O10 -","4","2","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.033","0.0265","","","0.0603","0.0644","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510709","11.2116","0.0003","14.9466","0.0003","21.4462","0.0004","100.775","0.002","94.367","0.002","109.15","0.002","3298.33","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Ag F3 N3 O3.5 S -","- C13 H14 Ag F3 N3 O3.5 S -","- C104 H112 Ag8 F24 N24 O28 S8 -","8","4","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0552","0.0367","","","0.0902","0.0938","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510710","20.4755","0.0009","8.2373","0.0003","18.8511","0.0009","90","","90","","90","","3179.5","0.2","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C12 H16 Ag B F4 N3 O1.5 -","- C12 H13 Ag B F4 N3 O1.5 -","- C96 H104 Ag8 B8 F32 N24 O12 -","8","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0773","0.0644","","","0.1614","0.1695","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510711","10.25","0.0008","15.8428","0.0013","20.4499","0.0019","90","","95.236","0.003","90","","3307","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Ag3 Cl3 N6 O13 -","- C24 H28 Ag3 Cl3 N6 O13 -","- C96 H112 Ag12 Cl12 N24 O52 -","4","0.5","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0614","0.0556","","","0.1904","0.195","","","","","","1.177","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510712","9.351","0.0003","10.9234","0.0003","14.8553","0.0005","90","","90","","90","","1517.39","0.08","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Ag F6 N3 P -","- C12 H13 Ag F6 N3 P -","- C48 H52 Ag4 F24 N12 P4 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0382","0.034","","","0.0971","0.1088","","","","","","1.104","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510713","10.0974","0.0002","10.2305","0.0002","11.0096","0.0002","64.965","0.001","78.8","0.001","78.323","0.001","1001.55","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Mn2(tpbn)(adc)2(H2O)2].2CH3OH}n","","","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","1","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0314","0.0301","","","0.0867","0.0879","","","","","","1.004","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510714","25.8848","0.0007","12.8247","0.0003","20.143","0.0005","90","","106.243","0.001","90","","6419.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Mn2(1,2-tppn)2(adc)](ClO4)2}.2CH3CN","","","- C62 H66 Cl2 Mn2 N14 O12 -","- C62 H66 Cl2 Mn2 N14 O12 -","- C248 H264 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0739","0.0517","","","0.1619","0.1819","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510715","25.435","0.003","12.504","0.0013","19.867","0.002","90","","106.5","0.004","90","","6058.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn2(tpen)2(adc)](ClO4)2.2CH3CN","","","- C60 H62 Cl2 Mn2 N14 O12 -","- C60 H62 Cl2 Mn2 N14 O12 -","- C240 H248 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0418","0.0304","","","0.0933","0.1216","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510716","14.5375","0.0009","8.1374","0.0004","19.3409","0.0009","90","","107.31","0.004","90","","2184.4","0.2","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn2(tppen)(H2O)4(adc)](adc).4H2O}n","","","- C37 H50 Mn2 N6 O16 -","- C37 H50 Mn2 N6 O16 -","- C74 H100 Mn4 N12 O32 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0853","0.0462","","","0.092","0.1082","","","","","","0.966","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510717","9.462","0.003","17.3","0.004","26.001","0.007","90","","94.851","0.006","90","","4241","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(tppn)(H2O)6](adc)2.3H2O","","","- C35 H48 Mn2 N6 O17 -","- C35 H45 Mn2 N6 O17 -","- C140 H180 Mn8 N24 O68 -","4","1","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","","","0.0864","0.0556","","","0.147","0.1671","","","","","","1.08","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510718","18.8885","0.0023","6.40793","0.00084","16.5076","0.0019","90","","96.8851","0.0061","90","","1983.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate","potassium 4-hydroxy-3-methoxybenzenesulfonate","","- C7 H7 K O5 S -","- C7 H7 K O5 S -","- C56 H56 K8 O40 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","1.54175","CuKα","","0.01303","0.05654","","","0.10104","0.02313","","","","","","1.776","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510719","19.436","0.0016","6.3452","0.0005","16.264","0.0014","90","","97.156","0.001","90","","1990.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate hemihydrate","potassium 4-hydroxy-3-methoxybenzenesulfonate hemihydrate","","- C7 H8 K O5.5 S -","- C7 H8 K O5.5 S -","- C56 H64 K8 O44 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","0.71073","MoKα","","0.027","0.0262","","","0.0691","0.0698","","","","","","1.076","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4510720","13.142","0.005","6.888","0.005","13.799","0.005","90","0.005","109.193","0.005","90","0.005","1179.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Cl2 N5 Zn -","- C8 H11 Cl2 N5 Zn -","- C32 H44 Cl8 N20 Zn4 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0407","0.0295","","","0.0583","0.0613","","","","","","1.068","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510721","7.626","0.005","9.537","0.005","11.045","0.005","85.705","0.005","87.256","0.005","80.423","0.005","789.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N5 O5 Zn -","- C12 H19 N5 O5 Zn -","- C24 H38 N10 O10 Zn2 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0664","0.0557","","","0.1481","0.2014","","","","","","1.166","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510722","7.219","0.005","8.659","0.005","22.367","0.005","90","0.005","90.68","0.005","90","0.005","1398","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd I2 N5 -","- C8 H11 Cd I2 N5 -","- C32 H44 Cd4 I8 N20 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0242","0.0225","","","0.0558","0.0569","","","","","","1.087","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510723","7.288","0.005","13.934","0.005","14.172","0.005","70.316","0.005","89.974","0.005","89.992","0.005","1355.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl6 Hg3 N10 -","- C16 H22 Cl6 Hg3 N10 -","- C32 H44 Cl12 Hg6 N20 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0967","0.0871","","","0.225","0.2466","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510724","19.289","0.005","8.147","0.005","23.911","0.005","90","","106.538","0.005","90","","3602","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 N20 O -","- C32 H46 N20 O -","- C128 H184 N80 O4 -","4","0.5","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.108","0.0633","","","0.1526","0.1967","","","","","","1.101","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510725","16.317","0.007","13.02","0.006","13.591","0.006","90","","100.303","0.004","90","","2841","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 O10 Zn -","- C28 H36 N4 O10 Zn -","- C112 H144 N16 O40 Zn4 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0429","0.04","","","0.1271","0.1299","","","","","","0.957","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510726","21.639","0.002","9.2791","0.0011","17.132","0.002","90","","111.495","0.002","90","","3200.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O8 Zn2 -","- C34 H26 N4 O8 Zn2 -","- C136 H104 N16 O32 Zn8 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0765","0.0624","","","0.1967","0.2291","","","","","","1.113","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510727","9.0531","0.0019","19.218","0.004","16.342","0.003","90","","92.804","0.004","90","","2839.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 N8 O14 Zn2 -","- C60 H58 N8 O14 Zn2 -","- C120 H116 N16 O28 Zn4 -","2","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0993","0.0547","","","0.156","0.2009","","","","","","1.057","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510728","22.953","0.005","28.26","0.005","16.064","0.003","90","","125.983","0.005","90","","8432","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 O10 Zn2 -","- C40 H37 N5 O10 Zn2 -","- C320 H296 N40 O80 Zn16 -","8","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1176","0.0635","","","0.1641","0.198","","","","","","0.975","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510729","20.504","0.004","9.5776","0.0017","19.444","0.004","90","","103.735","0.003","90","","3709.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O10 Zn2 -","- C29 H24 N3 O10 Zn2 -","- C116 H96 N12 O40 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1043","0.0716","","","0.2058","0.2325","","","","","","1","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510730","19.67","0.03","9.54","0.012","18.23","0.02","90","","101.71","0.03","90","","3350","8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N4 O12 Zn2 -","- C36 H25 N4 O12 Zn2 -","- C144 H100 N16 O48 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1285","0.0724","","","0.1573","0.1841","","","","","","1.117","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510731","7.487","","11.041","","13.775","","90","","92.9","","90","","1137.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.711","X","","","0","","","0","","","","","","","0","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510732","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0364","0.0306","","","0.0947","0.0975","","","","","","0.963","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510733","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0114","0.0114","","","0.0108","0.0108","","","","","","0.589","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510734","13.0333","0.0008","13.5524","0.0007","27.8507","0.0018","92.526","0.004","95.448","0.004","99.997","0.004","4813.6","0.5","100","2","173","2","","","","","","","","5","P -1","-P 1","2","8","","","- C106 H134 Co N6 O16 -","- C106 H134 Co N6 O16 -","- C212 H268 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1203","0.0617","","","0.142","0.1603","","","","","","0.921","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510735","11.298","0.002","15.849","0.003","27.416","0.005","89.235","0.003","80.416","0.003","80.184","0.003","4769.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","7","","","- C95 H109 Co N3 O13 -","- C95 H109 Co N3 O13 -","- C190 H218 Co2 N6 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.7749","MoKα","","0.1055","0.0848","","","0.2226","0.2393","","","","","","1.226","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510736","12.9816","0.0018","13.578","0.002","27.769","0.004","93.021","0.004","95.356","0.004","99.979","0.004","4787.7","1.2","100","2","173","2","","","","","","","","5","P -1","-P 1","2","9","","","- C106 H132 Co N6 O16 -","- C106 H132 Co N6 O16 -","- C212 H264 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1655","0.073","","","0.1599","0.2011","","","","","","0.984","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510737","21.15","0.004","18.254","0.003","15.735","0.003","90","","109.559","0.003","90","","5724.3","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32.6 H30.55 N2.78 O16.81 S4 -","- C32.595 H30.572 N2.785 O16.81 S4 -","- C130.38 H122.288 N11.14 O67.24 S16 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Isolation and Stabilization of a Pheromone in Crystalline Molecular Capsules","Crystal Growth & Design","2013","13","7","3197","","10.1021/cg4005906","","","0.71073","MoKα","","0.1159","0.0924","","","0.2667","0.2839","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510738","11.0629","0.0006","15.9543","0.0008","18.2692","0.0011","90","","90","","90","","3224.5","0.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C31 H26 Br N O6 Zn -","- C31 H26 Br N O6 Zn -","- C62 H52 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","0.71073","MoKα","","0.0961","0.0866","","","0.2327","0.2405","","","","","","1.064","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510739","10.8826","0.0016","16.0836","0.0019","18.292","0.003","90","","90","","90","","3201.7","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C54 H81 Br N10 O15 Zn -","- C27 H18 Br N O6 Zn -","- C54 H36 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","1.54178","CuKα","","0.0955","0.0643","","","0.1666","0.1782","","","","","","0.867","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510740","7.3516","0.0011","16.346","0.002","18.801","0.003","90","","90","","90","","2259.3","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 O3 -","- C24 H29 N5 O3 -","- C96 H116 N20 O12 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510741","10.2475","0.0003","12.7244","0.0003","19.7838","0.0005","90","","90","","90","","2579.67","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O4 -","- C26 H35 N5 O4 -","- C104 H140 N20 O16 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","1.54178","CuKα","","0.0274","0.027","","","0.0701","0.0704","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510742","28.725","0.005","19.529","0.005","32.405","0.005","90","0.005","113.411","0.005","90","0.005","16682","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H83 Co9 N50 O29 S0 W6 -","- C84 H83 Co9 N50 O31.94 W6 -","- C336 H332 Co36 N200 O127.76 W24 -","4","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71069","MoKα","","0.1134","0.0638","","","0.1339","0.1508","","","","","","1.021","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510743","26.0758","0.0016","26.0758","0.0016","19.354","0.0011","90","","90","","90","","13159.7","1.4","90","2","90","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C400 H224 Co18 N144 O124 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71075","MoKα","","0.0505","0.0402","","","0.0998","0.1047","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510744","26.516","0.0003","26.516","0.0003","19.445","0.0003","90","","90","","90","","13671.7","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C44 H24 Co2.25 N18 Na0 O8 W1.5 -","- C44 H30 Co2.25 N18 O10.23 W1.5 -","- C352 H240 Co18 N144 O81.84 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71073","MoKα","","0.0742","0.0511","","","0.1209","0.1379","","","","","","1.146","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510745","8.244","0.0006","11.7351","0.0011","8.1982","0.0008","90","","90","","90","","793.13","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cesium Lead Bromide","","","- Br3 Cs Pb -","- Br3 Cs Pb -","- Br12 Cs4 Pb4 -","4","0.5","","Stoumpos, Constantinos C.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Sebastian, Maria; Im, Jino; Chasapis, Thomas C.; Wibowo, Arief C.; Chung, Duck Young; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of the Perovskite Semiconductor CsPbBr3: A New Material for High-Energy Radiation Detection","Crystal Growth & Design","2013","13","7","2722","","10.1021/cg400645t","","","0.71073","MoKα","","0.0458","0.0376","","","0.0891","0.0922","","","","","","1.276","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510746","15.182","0.003","9.7285","0.0019","19.24","0.004","90","","100.61","0.03","90","","2793.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Co2 N3 O9 -","- C26 H23 Co2 N3 O9 -","- C104 H92 Co8 N12 O36 -","4","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1166","0.0771","","","0.1261","0.1388","","","","","","1.157","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510747","10.975","0.002","12.139","0.002","13.728","0.003","67.25","0.03","80.94","0.03","70.26","0.03","1586.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","1","0.5","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.2032","0.1124","","","0.24","0.2937","","","","","","1.041","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510748","22.575","0.012","22.575","0.012","11.483","0.002","90","","90","","120","","5068","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H7 Co N O4 -","- C9 H7 Co N O4 -","- C162 H126 Co18 N18 O72 -","18","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1394","0.0995","","","0.219","0.243","","","","","","1.147","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510749","9.7041","0.0004","11.4915","0.0005","12.1747","0.0005","71.122","0.001","69.098","0.001","74.057","0.001","1180.45","0.09","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0716","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510750","9.6467","0.0005","11.4738","0.0007","12.0802","0.0007","71.245","0.001","70.156","0.001","74.92","0.001","1173.67","0.12","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0635","0.0462","","","0.1081","0.1189","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510751","9.5962","0.0012","15.1199","0.0017","20.649","0.002","77.39","0.002","83.275","0.002","86.432","0.002","2901.6","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H92 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1414","0.074","","","0.183","0.2204","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510752","9.9279","0.0004","15.4623","0.0005","20.6099","0.0007","77.156","0.001","83.149","0.001","87.838","0.001","3062.4","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H90 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0574","0.0415","","","0.1066","0.1166","","","","","","1.044","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510753","9.7258","0.0008","12.0425","0.0008","14.3006","0.0013","68.081","0.001","76.756","0.001","69.911","0.001","1449.5","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1418","0.0863","","","0.1649","0.2102","","","","","","1.051","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510754","10.1438","0.0007","11.2973","0.0009","14.1941","0.001","72.882","0.001","88.101","0.001","81.084","0.001","1535.63","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0705","0.0449","","","0.0963","0.1083","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510755","4.6756","0.0004","17.6317","0.0015","19.4992","0.0015","90","","94.523","0.008","90","","1602.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.092","0.0525","","","0.1027","0.1173","","","","","","0.974","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510756","6.9957","0.0005","11.6356","0.0011","13.7925","0.0011","102.644","0.007","91.221","0.006","90.41","0.007","1095.14","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-Nicotinamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid-pyridine-3-carboxamide : Nicotinamide (1:1)","","- C22 H22 N4 O4 S -","- C22 H22 N4 O4 S -","- C44 H44 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0741","0.0519","","","0.1213","0.1359","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510757","8.4227","0.0009","11.1544","0.0012","12.9327","0.0014","79.689","0.002","81.524","0.002","68.22","0.002","1105.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-PABA","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : para-aminobenzoic acid (1:1)","","- C23 H23 N3 O5 S -","- C22.987 H23 N3 O5 S -","- C45.974 H46 N6 O10 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0432","0.0406","","","0.1049","0.1074","","","","","","1.038","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510758","10.8516","0.0004","23.667","0.0009","7.4362","0.0004","90","","95.29","0.004","90","","1901.67","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat-Acetamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : acetaamide (1:1)","","- C18 H21 N3 O4 S -","- C18 H21 N3 O4 S -","- C72 H84 N12 O16 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0488","0.04","","","0.0974","0.1025","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510759","7.6525","0.0013","10.9684","0.0018","12.261","0.002","82.627","0.003","71.822","0.003","69.866","0.003","917.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-urea","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : urea (1:1)","","- C17 H20 N4 O4 S -","- C17 H20 N4 O4 S -","- C34 H40 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0568","0.0496","","","0.1281","0.1333","","","","","","1.069","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510760","15.9717","0.0015","7.6328","0.0007","23.774","0.002","90","","96.924","0.002","90","","2877.1","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Cd F6 N O4 S -","- C26 H14 Cd F6 N O4 S -","- C104 H56 Cd4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0934","0.097","","","","","","1.011","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510761","15.4994","0.0014","7.5708","0.0007","23.427","0.002","90","","96.993","0.002","90","","2728.5","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 F6 N O4 S Zn -","- C26 H14 F6 N O4 S Zn -","- C104 H56 F24 N4 O16 S4 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0487","0.0346","","","0.0845","0.0887","","","","","","1.099","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510762","15.4985","0.0011","7.5058","0.0005","23.5458","0.0017","90","","96.272","0.001","90","","2722.7","0.3","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Co F6 N O4 S -","- C26 H14 Co F6 N O4 S -","- C104 H56 Co4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0419","0.0386","","","0.1323","0.1358","","","","","","1.036","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510763","12.9879","0.0016","6.2776","0.0008","19.104","0.0017","90","","114.325","0.006","90","","1419.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H22 N2 O4 S2 Zn -","- C26 H22 N2 O4 S2 Zn -","- C52 H44 N4 O8 S4 Zn2 -","2","0.5","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0411","0.0369","","","0.1123","0.1147","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510764","13.7472","0.0012","21.8339","0.0019","15.9121","0.0014","90","","115.59","","90","","4307.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O12 S4 Zn2 -","- C46 H28 N2 O12 S4 Zn2 -","- C184 H112 N8 O48 S16 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0952","0.0616","","","0.1789","0.2193","","","","","","1.143","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510765","14.3794","0.0012","23.893","0.002","15.9117","0.0011","90","","117.102","0.006","90","","4866.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O10 S2 Zn2 -","- C46 H28 N2 O10 S2 Zn2 -","- C184 H112 N8 O40 S8 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0826","0.0576","","","0.1647","0.1747","","","","","","1.078","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510766","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C48 H32 N4.8 O87.2 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0506","0.0358","","","0.1031","0.1079","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510767","8.43","0.005","16.155","0.012","19.84","0.011","90","","90","","90","","2702","3","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C50 H24 N2 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.1105","0.0611","","","0.157","0.1869","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510768","8.44253","0.00017","16.285","0.0004","19.8132","0.0004","90","","90","","90","","2724.05","0.1","333","","333","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H6 N O22 P6 Zn5 -","- C12 H6 N O22 P6 Zn5 -","- C48 H24 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","0.0342","","","","","","","","1.78","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510769","8.29575","0.00018","16.4162","0.0004","19.7053","0.0005","90","","90","","90","","2683.56","0.11","423","","423","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H10 N O18 P6 Zn5 -","- C12 H10 N O18 P6 Zn5 -","- C48 H40 N4 O72 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","4.69","","","","","","","","2.25","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510770","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H14 N O22 P6 Zn5 -","- C12 H14 N O22 P6 Zn5 -","- C48 H56 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0503","0.0337","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510771","8.594","0.002","12.644","0.003","39.717","0.01","90","","90","","90","","4315.7","1.8","120.15","","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C43 H59 N O17 -","- C172 H236 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.09","0.0635","","","0.1331","0.1414","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510772","10.287","0.002","32.938","0.008","12.78","0.003","90","","90.213","0.003","90","","4330.3","1.7","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel dihydrate","","- C44 H58.5 N O16 -","- C44 H58.5 N O16 -","- C176 H234 N4 O64 -","4","2","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.139","0.0642","","","0.1341","0.1558","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510773","12.608","0.003","8.6626","0.0019","20.353","0.004","90","","98.942","0.002","90","","2195.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel hydrate ethanol solvate","","- C45 H60 N O16 -","- C45 H60 N O16 -","- C90 H120 N2 O32 -","2","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.0531","0.0499","","","0.1396","0.1428","","","","","","1.041","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510774","8.6619","0.0008","12.7429","0.0009","39.838","0.004","90","","90","","90","","4397.2","0.7","","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C41.882 H38.822 N O17 -","- C167.528 H155.288 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.823","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510775","8.625","0.002","12.91","0.002","39.764","0.011","90","","90","","90","","4427.7","1.7","","","343.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H55 N O15 -","- C43 H52 N O15 -","- C172 H208 N4 O60 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.166","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510776","8.6078","0.0008","12.9231","0.0016","38.421","0.005","90","","90","","90","","4273.9","0.9","","","383.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H53 N O14 -","- C43 H52 N O14 -","- C172 H208 N4 O56 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.169","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510778","10.8562","0.0002","8.0322","0.0001","14.1325","0.0003","90","","102.146","0.0008","90","","1204.76","0.04","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 Cl2 N2 -","- C26 H22 Cl2 N2 -","- C52 H44 Cl4 N4 -","2","1","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.1173","","","","0.3859","","","","","","2.035","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510779","32.1445","0.0013","9.5074","0.0004","8.5267","0.0004","90","","104.161","0.002","90","","2526.66","0.19","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O8 P2 -","- C26 H26 N2 O8 P2 -","- C104 H104 N8 O32 P8 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.0681","","","","0.205","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510780","8.6135","0.00016","10.56801","0.00019","25.8505","0.0005","90","","90","","90","","2353.11","0.08","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","1.54187","CuKα","","","0.0439","","","","0.1128","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510781","10.856","0.002","22.799","0.005","19.706","0.004","90","","99.49","0.03","90","","4810.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cu2 Nd2 O44 -","- C25 H5 Cu2 Nd2 O44 -","- C100 H20 Cu8 Nd8 O176 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0957","0.0713","","","0.1843","0.2081","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510782","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510783","11.006","0.002","23.228","0.005","19.847","0.004","90","","99.91","0.03","90","","4998.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 Cu2 La2 O43 -","- C25 H5 Cu2 La2 O43 -","- C100 H20 Cu8 La8 O172 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0829","0.0795","","","0.2065","0.2093","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510784","10.923","0.002","22.771","0.005","19.758","0.004","90","","99.64","0.03","90","","4845","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 Cu2 O43.5 Sm2 -","- C25 H5 Cu2 O43.5 Sm2 -","- C100 H20 Cu8 O174 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0684","0.062","","","0.173","0.1833","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510785","10.994","0.002","23.098","0.005","19.838","0.004","90","","99.89","0.03","90","","4962.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 Ce2 Cu2 O42 -","- C25 H5 Ce2 Cu2 O42 -","- C100 H20 Ce8 Cu8 O168 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.738","","","0.0712","0.0692","","","0.2005","0.2037","","","","","","1.062","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510786","10.899","0.002","20.334","0.004","19.785","0.004","90","","99.48","0.03","90","","4324.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cu2 O39 Sm2 -","- C25 H5 Cu2 O39 Sm2 -","- C100 H20 Cu8 O156 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.73833","","","0.0595","0.0522","","","0.1502","0.1589","","","","","","1.103","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510787","10.9718","0.0002","20.2668","0.0003","19.7821","0.0005","90","","99.312","0.002","90","","4340.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Ce2 Cu2 O40 -","- C25 H5 Ce2 Cu2 O40 -","- C100 H20 Ce8 Cu8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.6889","synchrotron","","0.0517","0.0461","","","0.1213","0.1266","","","","","","1.027","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510788","10.927","0.002","20.391","0.004","19.807","0.004","90","","99.61","0.03","90","","4351.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Cu2 Nd2 O39 -","- C25 H5 Cu2 Nd2 O39 -","- C100 H20 Cu8 Nd8 O156 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.0715","0.0426","","","0.1066","0.1224","","","","","","1.071","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510789","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510790","10.985","0.002","20.45","0.004","19.856","0.004","90","","99.73","0.03","90","","4396.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 La2 O40 -","- C25 H5 Cu2 La2 O40 -","- C100 H20 Cu8 La8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.062","0.0587","","","0.1676","0.1729","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510791","10.765","0.001","17.305","0.002","20.621","0.002","79.53","0.01","76.34","0.01","84.04","0.01","3663.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Br Cl18 Fe N8 P2 -","- C76 H40 Br Cl18 Fe N8 P2 -","- C152 H80 Br2 Cl36 Fe2 N16 P4 -","2","1","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.2454","0.0782","","","0.1527","0.2318","","","","","","0.922","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510792","32.896","0.015","8.295","0.004","28.617","0.013","90","","122.446","0.007","90","","6590","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H11 Ag6 F15 N2 O11 -","- C22 H11 Ag6 F15 N2 O11 -","- C176 H88 Ag48 F120 N16 O88 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0702","0.0636","","","0.1808","0.1913","","","","","","1.087","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510793","14.9921","0.0013","15.8366","0.0014","18.8532","0.0016","79.38","0.002","70.681","0.002","62.268","0.001","3736.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H29 Ag9 F36 N4 O28 -","- C46 H29 Ag9 F36 N4 O28 -","- C92 H58 Ag18 F72 N8 O56 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.072","0.0498","","","0.1292","0.1459","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510794","9.2284","0.0016","13.386","0.002","27.285","0.005","89.373","0.003","80.45","0.003","77.505","0.003","3244","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H24 Ag12 F24 N12 O16 -","- C38 H24 Ag12 F24 N12 O16 -","- C76 H48 Ag24 F48 N24 O32 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.1242","0.0982","","","0.2716","0.2936","","","","","","1.042","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510795","14.9692","0.0019","26.147","0.003","8.596","0.001","90","","90","","90","","3364.5","0.7","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Ag3 F6 N2 O4 -","- C10 H8 Ag3 F6 N2 O4 -","- C80 H64 Ag24 F48 N16 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0728","0.0476","","","0.1127","0.1319","","","","","","1.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510796","15.366","0.0009","17.267","0.001","9.884","0.0006","90","","90","","90","","2622.5","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H3 Ag3 F6 N3 O4 -","- C7 H3 Ag3 F6 N3 O4 -","- C56 H24 Ag24 F48 N24 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0456","0.0418","","","0.1117","0.1163","","","","","","0.983","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510797","8.0056","0.0007","26.24","0.002","18.0949","0.0016","90","","102.567","0.002","90","","3710.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Ag6 F15 N3 O10 -","- C28 H14 Ag6 F15 N3 O10 -","- C112 H56 Ag24 F60 N12 O40 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0988","0.053","","","0.1121","0.1339","","","","","","1.005","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510798","28.5488","0.0014","11.5427","0.0005","35.637","0.002","90","","112.064","0.001","90","","10883.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H57 Ag12 F36 N16 O27 -","- C82 H57 Ag12 F36 N16 O27 -","- C328 H228 Ag48 F144 N64 O108 -","4","0.5","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0928","0.0726","","","0.185","0.2023","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510799","4.2509","0.0007","11.363","0.003","31.115","0.006","90","","90","","90","","1502.9","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0592","0.0497","","","0.1265","0.1368","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510800","4.5532","0.0001","15.0996","0.0004","16.151","0.0005","90","","96.515","0.002","90","","1103.23","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0665","0.0417","","","0.1025","0.1122","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510801","13.4793","0.0008","6.6293","0.0004","18.5481","0.0012","90","","108.54","0.002","90","","1571.41","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0627","0.0436","","","0.111","0.1199","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510802","30.2956","0.0011","8.2672","0.0003","26.5597","0.0009","90","","117.346","0.002","90","","5908.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C288 H240 N48 O32 -","16","2","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1008","0.0523","","","0.1215","0.1405","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510803","5.9682","0.0003","12.0166","0.0006","22.9633","0.0012","90","","90.091","0.004","90","","1646.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0691","0.0601","","","0.1723","0.1763","","","","","","1.122","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510804","3.8949","0.0001","25.1426","0.0008","16.8477","0.0005","90","","95.522","0.002","90","","1642.2","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C84 H66 N6 O12 -","6","1.5","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1042","0.0413","","","0.0704","0.0856","","","","","","0.882","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510805","8.7529","0.0004","9.5545","0.0004","39.9926","0.0017","90","","90","","90","","3344.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0403","0.0354","","","0.0925","0.096","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510806","8.2469","0.0002","8.2333","0.0002","22.0039","0.0005","90","","95.544","0.002","90","","1487.06","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0759","0.0409","","","0.1017","0.1148","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510807","31.12","0.006","18.155","0.003","25.759","0.005","90","","122.213","0.003","90","","12313","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N2 O10 -","- C68 H74 N2 O10 -","- C544 H592 N16 O80 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1181","0.0976","","","0.2318","0.2461","","","","","","1.109","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510808","30.315","0.01","18.54","0.005","25.319","0.008","90","","118.325","0.004","90","","12527","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H64 N O8 -","- C63 H64 N O8 -","- C504 H512 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1896","0.1201","","","0.2907","0.3192","","","","","","1.342","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510809","31.024","0.007","18.263","0.003","24.405","0.005","90","","119.87","0.03","90","","11991","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 N O9 -","- C65 H68 N O9 -","- C520 H544 N8 O72 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1172","0.091","","","0.2443","0.2587","","","","","","1.388","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510810","17.687","0.003","17.687","0.003","10.556","0.002","90","","90","","120","","2859.8","0.9","173","2","173","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","","","- C60 H66 O9 -","- C60 H66 O9 -","- C120 H132 O18 -","2","0.333333","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.0725","0.0716","","","0.1854","0.1861","","","","","","1.157","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4510811","31.214","0.009","18.145","0.004","26.186","0.007","90","","122.923","0.003","90","","12449","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 N O8 -","- C63 H63 N O8 -","- C504 H504 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1063","0.084","","","0.2241","0.2385","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510812","16.378","0.005","18.037","0.005","23.771","0.007","103.79","","102.499","0.004","111.865","0.004","5955","3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H76 O11 -","- C66 H76 O11 -","- C264 H304 O44 -","4","2","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1905","0.1458","","","0.2936","0.3235","","","","","","1.502","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4516825","11.686","0.007","12.036","0.007","22.607","0.013","90","","90","","90","","3180","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Macrocycle 4","","","- C35 H34 N8 O3 -","- C35 H34 N8 O3 -","- C140 H136 N32 O12 -","4","1","","Chen, Huaiyu; Huang, Chao; Deng, Yaxin; Sun, Qi; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Solvent-Switched Schiff-Base Macrocycles: Self-Sorting and Self-Assembly-Dependent Unconventional Organic Particles.","ACS nano","2019","13","3","2840","2848","10.1021/acsnano.8b09478","","","0.71073","MoKα","","0.1231","0.0655","","","0.1715","0.204","","","","","","0.771","","","","has coordinates","239569","2020-10-21","18:00:00",""
"4516826","15.3656","0.0001","33.7803","0.0002","34.0423","0.0002","87.988","0.001","84.885","0.001","78.244","0.001","17227.7","0.19","150","0.1","150","0.1","","","","","","","","4","P 1","P 1","1","","","","- C168 H216 Au8 O16 -","- C168 H216 Au8 O16 -","- C672 H864 Au32 O64 -","4","4","","Jia, Tong-Tong; Yang, Guang; Mo, Sai-Jun; Wang, Zhao-Yang; Li, Bing-Jie; Ma, Wang; Guo, Yue-Xin; Chen, Xiaoyuan; Zhao, Xueli; Liu, Jun-Qi; Zang, Shuang-Quan","Atomically Precise Gold-Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy.","ACS nano","2019","13","7","8320","8328","10.1021/acsnano.9b03767","","x-ray","0.71073","MoKα","","0.0599","0.0436","","","0.0928","0.0964","","","","","","1.128","","","","has coordinates","239570","2020-10-21","18:00:00",""
"4517059","3.9533","0.0002","10.6197","0.0004","14.3961","0.0006","74.675","0.002","82.622","0.003","79.443","0.002","570.99","0.04","291","0.3","291","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Trzesowska-Kruszynska, Agata","Solvent-Free and Catalysis-Free Approach to the Solid State in Situ Growth of Crystalline Isoniazid Hydrazones","Crystal Growth & Design","2013","13","9","3892","","10.1021/cg400529s","","","1.54178","CuKα","","0.0353","0.0349","","","0.0962","0.0966","","","","","","1.109","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517061","7.3823","0.0003","8.4674","0.0003","10.4894","0.0004","77.886","0.001","86.838","0.002","87.937","0.002","639.9","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels–Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0975","0.0466","","","0.0755","0.0899","","","","","","0.928","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517062","7.519","0.0007","8.8836","0.0008","10.1342","0.0009","76.071","0.003","86.803","0.003","83.784","0.003","652.84","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1229","0.0467","","","0.0756","0.0951","","","","","","0.949","","","","has coordinates,has disorder","239719","2020-10-21","18:00:00",""
"4517063","7.4063","0.0004","8.5132","0.0005","10.4515","0.0006","77.693","0.002","86.876","0.002","87.493","0.002","642.53","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0598","0.0434","","","0.1072","0.1191","","","","","","1.049","","","","has coordinates,has disorder","239720","2020-10-21","18:00:00",""
"4517064","7.4235","0.0004","8.5698","0.0005","10.393","0.0005","77.478","0.002","86.938","0.002","86.79","0.002","643.86","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0827","0.0504","","","0.1212","0.1403","","","","","","1.015","","","","has coordinates,has disorder","239721","2020-10-21","18:00:00",""
"4517065","7.5049","0.0004","8.8598","0.0004","10.1573","0.0006","76.199","0.002","86.886","0.003","83.941","0.002","651.92","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1378","0.0486","","","0.0723","0.0922","","","","","","0.939","","","","has coordinates,has disorder","239722","2020-10-21","18:00:00",""
"4517066","7.5175","0.0003","8.8851","0.0003","10.1345","0.0004","76.054","0.002","86.817","0.002","83.763","0.002","652.78","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1015","0.051","","","0.113","0.1362","","","","","","1.015","","","","has coordinates,has disorder","239723","2020-10-21","18:00:00",""
"4517067","7.4793","0.0002","8.7829","0.0003","10.2316","0.0003","76.593","0.002","86.968","0.002","84.781","0.002","650.74","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0907","0.0466","","","0.1034","0.1225","","","","","","1.013","","","","has coordinates,has disorder","239724","2020-10-21","18:00:00",""
"4517068","7.5206","0.0004","8.8938","0.0004","10.1311","0.0006","76.016","0.002","86.818","0.003","83.775","0.002","653.37","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1287","0.0527","","","0.0932","0.1167","","","","","","1.003","","","","has coordinates,has disorder","239725","2020-10-21","18:00:00",""
"4517069","7.4924","0.0003","8.8522","0.0004","10.1725","0.0005","76.232","0.002","86.916","0.002","84.121","0.001","651.55","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0815","0.0601","","","0.0916","0.1018","","","","","","1.085","","","","has coordinates,has disorder","239726","2020-10-21","18:00:00",""
"4517070","7.4171","0.0002","8.5537","0.0003","10.4144","0.0003","77.547","0.001","86.928","0.001","87.005","0.001","643.69","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0634","0.0452","","","0.1088","0.121","","","","","","1.019","","","","has coordinates,has disorder","239727","2020-10-21","18:00:00",""
"4517071","7.4528","0.0003","8.6771","0.0003","10.316","0.0004","77.061","0.002","86.974","0.002","85.713","0.002","647.92","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0997","0.0458","","","0.0952","0.1166","","","","","","1.009","","","","has coordinates,has disorder","239728","2020-10-21","18:00:00",""
"4517072","7.4994","0.0004","8.8416","0.0004","10.1705","0.0005","76.24","0.002","86.882","0.002","84.146","0.002","651.29","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1448","0.0487","","","0.0773","0.0984","","","","","","0.934","","","","has coordinates,has disorder","239729","2020-10-21","18:00:00",""
"4517073","7.5078","0.0002","8.888","0.0003","10.1325","0.0003","76.029","0.001","86.784","0.001","83.779","0.001","651.96","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0853","0.0509","","","0.1075","0.1256","","","","","","1.051","","","","has coordinates,has disorder","239730","2020-10-21","18:00:00",""
"4517074","9.6723","0.0004","8.5785","0.0004","31.5474","0.0014","90","","96.531","0.002","90","","2600.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C124 H104 N8 O16 S8 -","4","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels–Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1054","0.0517","","","0.0941","0.108","","","","","","0.958","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4517075","7.519","0.005","8.898","0.005","10.122","0.005","76.022","0.005","86.781","0.005","83.761","0.005","652.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71069","MoKα","","0.1155","0.0557","","","0.0965","0.1208","","","","","","1.104","","","","has coordinates,has disorder","239732","2020-10-21","18:00:00",""
"4518400","18.9727","0.0006","8.3992","0.0002","9.0365","0.0002","90","","96.85","0.001","90","","1429.74","0.06","189","2","189.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 I4 N2 O4 Pb -","- C16 H36 I4 N2 O4 Pb -","- C32 H72 I8 N4 O8 Pb2 -","2","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0425","0.0315","","","0.0768","0.0835","","","","","","1.055","","","","has coordinates","261495","2021-02-04","03:29:18",""
"4518401","8.9064","0.0004","9.2796","0.0005","24.348","0.0008","90","","90","","90","","2012.31","0.16","302","2","302","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0612","0.0365","","","0.0708","0.0804","","","","","","1.097","","","","has coordinates","261495","2021-02-04","03:29:19",""
"4518402","22.622","0.002","8.3121","0.0007","8.9769","0.0007","90","","93.278","0.003","90","","1685.2","0.2","283","2","283","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I4 N2 O4 Pb -","- C20 H44 I4 N2 O4 Pb -","- C40 H88 I8 N4 O8 Pb2 -","2","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0348","0.0273","","","0.0692","0.0736","","","","","","1.086","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518403","8.8547","0.0003","20.5457","0.0009","7.979","0.0003","90","","90","","90","","1451.59","0.1","250","2","250","","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C12 H28 I6 N2 O4 Pb2 -","- C12 H28 I6 N2 O4 Pb2 -","- C24 H56 I12 N4 O8 Pb4 -","2","0.25","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0493","0.0397","","","0.0989","0.1043","","","","","","1.059","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518404","4.5319","0.0003","4.5319","0.0003","29.629","0.002","90","","90","","120","","527","0.06","193","2","193","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C2 H2 I2 N O2 Pb -","- C1.9998 H1.9998 I2 N0.9999 O1.9998 Pb -","- C5.9994 H5.9994 I6 N2.9997 O5.9994 Pb3 -","3","0.333333","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","1.34139","GaKα","","0.0945","0.0876","","","0.2468","0.2754","","","","","","1.141","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518405","22.9846","0.0009","22.9846","0.0009","23.4908","0.0012","90","","90","","90","","12410","0.9","158","2","158","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C18 H10 N2 Ni O4 -","- C18 H10 N2 Ni O4 -","- C288 H160 N32 Ni16 O64 -","16","1","","Li, Yong-Zhi; Wang, Gang-Ding; Ma, Li-Na; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Multiple Functions of Gas Separation and Vapor Adsorption in a New MOF with Open Tubular Channels.","ACS applied materials & interfaces","2021","13","3","4102","4109","10.1021/acsami.0c21554","","","0.71073","MoKα","","0.0892","0.0653","","","0.1718","0.1952","","","","","","1.036","","","","has coordinates","261496","2021-02-04","03:29:27",""
"4518446","8.8508","0.0016","37.001","0.005","9.4346","0.0017","90","","106.392","0.007","90","","2964.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0609","0.0416","","","0.0932","0.1061","","","","","","1.059","","","","has coordinates","261398","2021-02-03","19:55:57",""
"4518447","8.8436","0.0014","36.972","0.005","9.4214","0.0015","90","","106.219","0.005","90","","2957.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0419","0.0316","","","0.0741","0.0776","","","","","","1.106","","","","has coordinates","261398","2021-02-03","19:56:04",""
"4518448","8.8631","0.0004","36.9985","0.0014","9.4245","0.0004","90","","106.276","0.001","90","","2966.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0535","0.0386","","","0.0829","0.0895","","","","","","1.094","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518449","8.8491","0.0004","36.9838","0.0016","9.4145","0.0004","90","","106.242","0.002","90","","2958.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.057","0.04","","","0.0875","0.0948","","","","","","1.101","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518450","17.9171","0.0006","9.4355","0.0003","11.8787","0.0004","90","","125.177","0.001","90","","1641.43","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0188","0.0184","","","0.0543","0.0546","","","","","","1.083","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518451","17.9251","0.0013","9.4357","0.0006","11.8884","0.0009","90","","125.156","0.002","90","","1644","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0213","0.0209","","","0.0588","0.0591","","","","","","1.08","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518452","17.9101","0.0007","9.4336","0.0003","11.8747","0.0004","90","","125.175","0.001","90","","1639.95","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0187","0.0183","","","0.0541","0.0543","","","","","","1.063","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518453","17.9182","0.0008","9.4384","0.0004","11.88","0.0005","90","","125.166","0.001","90","","1642.44","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.019","0.0184","","","0.0545","0.0549","","","","","","1.096","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518454","14.1525","0.0017","22.975","0.003","15.202","0.0017","90","","107.265","0.004","90","","4720.3","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O1.45 S -","- C27 H26 N4 O1.425 S -","- C216 H208 N32 O11.4 S8 -","8","2","","Wang, Xing-Huo; Lou, Xin-Yue; Lu, Tong; Wang, Chunyu; Tang, Jun; Liu, Fengqi; Wang, Yan; Yang, Ying-Wei","Supramolecular Engineering of Efficient Artificial Light-Harvesting Systems from Cyanovinylene Chromophores and Pillar[5]arene-Based Polymer Hosts.","ACS applied materials & interfaces","2021","13","3","4593","4604","10.1021/acsami.0c21651","","","0.71073","MoKα","","0.1639","0.1035","","","0.2871","0.335","","","","","","1.105","","","","has coordinates,has disorder","261399","2021-02-03","19:57:06",""
"4518455","10.2816","0.0004","10.786","0.0003","11.5784","0.0004","99.889","0.001","98.5","0.001","111.27","0.001","1147.48","0.07","293","2","294.5","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N4 O S -","- C25 H26 N4 O S -","- C50 H52 N8 O2 S2 -","2","1","","Wang, Xing-Huo; Lou, Xin-Yue; Lu, Tong; Wang, Chunyu; Tang, Jun; Liu, Fengqi; Wang, Yan; Yang, Ying-Wei","Supramolecular Engineering of Efficient Artificial Light-Harvesting Systems from Cyanovinylene Chromophores and Pillar[5]arene-Based Polymer Hosts.","ACS applied materials & interfaces","2021","13","3","4593","4604","10.1021/acsami.0c21651","","","0.71073","MoKα","","0.0884","0.0611","","","0.158","0.179","","","","","","1.036","","","","has coordinates,has disorder","301843","2025-08-21","01:59:40",""
"4518485","12.8144","0.0003","12.8952","0.0003","13.416","0.0003","116.726","0.001","96.583","0.001","101.93","0.001","1881.84","0.08","171","2","171.28","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 O12 -","- C84 H104 O12 -","- C84 H104 O12 -","1","0.5","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0626","0.0573","","","0.1539","0.159","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518486","13.9241","0.0002","17.2403","0.0002","17.675","0.0002","83.9386","0.0008","75.6551","0.0008","76.0824","0.0007","3985.24","0.09","170","2","170.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H84 Br12 O12 -","- C75 H84 Br12 O12 -","- C150 H168 Br24 O24 -","2","1","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0797","0.0677","","","0.1727","0.1836","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:59:40",""
"4518487","13.7487","0.0003","14.2271","0.0003","21.6029","0.0006","78.509","0.001","76.447","0.001","74.69","0.001","3919.43","0.16","170","2","170.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H82 Br12 O12 -","- C75 H82 Br12 O12 -","- C150 H164 Br24 O24 -","2","1","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0876","0.0824","","","0.2105","0.2139","","","","","","1.06","","","","has coordinates,has disorder","262436","2021-03-04","02:50:15",""
"4518488","12.5513","0.001","22.912","0.0019","14.5522","0.0012","90","","113.997","0.004","90","","3823.1","0.6","296","2","296","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C75 H96 O12 -","- C75 H96 O12 -","- C150 H192 O24 -","2","0.5","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.54178","CuKα","","0.1973","0.1173","","","0.2695","0.3276","","","","","","0.863","","","","has coordinates,has disorder","262436","2021-03-04","02:50:15",""
"4518489","21.42","0.004","5.19","0.001","16.74","0.003","90","","106.8","0.03","90","","1781.6","0.6","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","2","","Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik","Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.","ACS applied materials & interfaces","2021","13","6","7546","7555","10.1021/acsami.0c21248","","","0.02508","200keVelectrons","","0.1575","0.1492","","","0.3564","0.3641","","","","","","1.379","","","","has coordinates","262438","2021-03-04","02:50:33",""
"4518490","12.51","0.003","4.64","0.0009","33.91","0.007","90","","96.5","0.03","90","","1955.7","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik","Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.","ACS applied materials & interfaces","2021","13","6","7546","7555","10.1021/acsami.0c21248","","","0.02508","200keVelectrons","","0.2178","0.2128","","","0.5027","0.5051","","","","","","1.109","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518492","21.436","0.004","21.436","0.004","15.419","0.003","90","","90","","90","","7085","2","296.15","","296.15","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C60 H76 Cd2 Cl8 N40 O28 -","- C60 H76 Cd2 Cl8 N40 O28 -","- C120 H152 Cd4 Cl16 N80 O56 -","2","0.125","","Liu, Ming; Chen, Lixia; Shan, Peihui; Lian, Chengjie; Zhang, Zenghui; Zhang, Yunqian; Tao, Zhu; Xiao, Xin","Pyridine Detection Using Supramolecular Organic Frameworks Incorporating Cucurbit[10]uril.","ACS applied materials & interfaces","2021","13","6","7434","7442","10.1021/acsami.0c20292","","x-ray","0.71073","MoKα","","0.249","0.1488","","","0.4247","0.4773","","","","","","1.416","","","","has coordinates","262437","2021-03-04","02:50:25",""
"4518513","11.7202","0.0009","15.0045","0.0013","15.5031","0.0014","65.591","0.009","88.123","0.007","69.401","0.008","2303.5","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Cl4 Ir N4 O2 -","- C51 H45 Cl4 Ir N4 O2 -","- C102 H90 Cl8 Ir2 N8 O4 -","2","1","","Li, Wentao; He, Yani; Miao, Tiezheng; Lü, Xingqiang; Fu, Guorui; Wong, Wai-Yeung; He, Hongshan","All-Solution-Processed Multilayered White Polymer Light-Emitting Diodes (WPLEDs) Based on Cross-Linked [Ir(4-vb-PBI)<sub>2</sub>(acac)].","ACS applied materials & interfaces","2021","13","9","11096","11107","10.1021/acsami.0c16581","","x-ray","0.71073","MoKα","","0.1114","0.0839","","","0.2086","0.2319","","","","","","1.039","","","","has coordinates","263572","2021-04-04","09:55:48",""
"4518516","28.3137","0.0013","20.2338","0.0009","18.0946","0.0008","90","","100.088","0.001","90","","10206","0.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N3 O12 Zn3 -","- C48 H28 N3 O12 Zn3 -","- C192 H112 N12 O48 Zn12 -","4","1","","Ying, Xu-Dong; Chen, Jian-Xiang; Tu, Dan-Yu; Zhuang, Yi-Cao; Wu, Di; Shen, Liang","Tetraphenylpyrazine-Based Luminescent Metal-Organic Framework for Chemical Sensing of Carcinoids Biomarkers.","ACS applied materials & interfaces","2021","13","5","6421","6429","10.1021/acsami.0c20893","","","0.71073","MoKα","","0.0669","0.0499","","","0.1564","0.1659","","","","","","1.048","","","","has coordinates,has disorder","262401","2021-03-03","19:44:51",""
"4518517","21.5743","0.0008","21.5743","0.0008","34.449","0.002","90","","90","","90","","16034.3","1.3","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H36 N12 Ni2 O12 S2 -","- C32 H36 N12 Ni2 O12 S2 -","- C512 H576 N192 Ni32 O192 S32 -","16","1","","Zhang, Shihui; Zhang, Shuyu; Yin, Nan; Huang, Zhenqi; Xu, Wenhua; Yue, Kefen; Li, Xiuyuan; Li, Dongsheng","Exploring Reversible Thermochromic Behavior in a Rare Ni(II)-MOF System.","ACS applied materials & interfaces","2021","13","5","6430","6441","10.1021/acsami.0c21116","","","0.71073","MoKα","","0.0605","0.0394","","","0.0957","0.1063","","","","","","1.01","","","","has coordinates,has disorder","262402","2021-03-03","19:45:25",""
"4518518","6.3982","0.0003","7.4255","0.0003","18.09","0.0008","90","","97.995","0.002","90","","851.1","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Gómez, Paula; Georgakopoulos, Stamatis; Más-Montoya, Miriam; Cerdá, Jesús; Pérez, José; Ortí, Enrique; Aragó, Juan; Curiel, David","Improving the Robustness of Organic Semiconductors through Hydrogen Bonding.","ACS applied materials & interfaces","2021","13","7","8620","8630","10.1021/acsami.0c18928","","","1.54178","CuKα","","0.0604","0.0493","","","0.1283","0.1356","","","","","","1.139","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518519","16.8479","0.0007","13.0685","0.0005","22.9363","0.001","90","","105.919","0.005","90","","4856.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","","","- C20 H48 N6 O S14 Sn6 -","- C20 H48 N6 O S14 Sn6 -","- C80 H192 N24 O4 S56 Sn24 -","4","1","","Li, Wei-An; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Jin, Jian-Ce; Huang, Xiao-Ying; Feng, Mei-Ling","Layered Thiostannates with Distinct Arrangements of Mixed Cations for the Selective Capture of Cs<sup>+</sup>, Sr<sup>2+</sup>, and Eu<sup>3+</sup> Ions.","ACS applied materials & interfaces","2021","13","8","10191","10201","10.1021/acsami.0c22690","","","0.71073","MoKα","","0.0929","0.0628","","","0.1699","0.2092","","","","","","1.015","","","","has coordinates,has disorder","262404","2021-03-03","20:06:51",""
"4518520","26.2298","0.0007","26.2298","0.0007","17.6575","0.0007","90","","90","","120","","10520.8","0.6","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","none","","","- C12 H27.75 N3.25 O S7 Sn3 -","- C10.5 H20.625 N2.625 O0.375 S7 Sn3 -","- C168 H330 N42 O6 S112 Sn48 -","16","1.33333","","Li, Wei-An; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Jin, Jian-Ce; Huang, Xiao-Ying; Feng, Mei-Ling","Layered Thiostannates with Distinct Arrangements of Mixed Cations for the Selective Capture of Cs<sup>+</sup>, Sr<sup>2+</sup>, and Eu<sup>3+</sup> Ions.","ACS applied materials & interfaces","2021","13","8","10191","10201","10.1021/acsami.0c22690","","","0.71073","MoKα","","0.0595","0.0429","","","0.1047","0.1164","","","","","","1.101","","","","has coordinates,has disorder","262405","2021-03-03","20:07:26",""
"4518537","8.317","0.0017","12.218","0.002","15.239","0.003","77.72","0.03","87.35","0.03","86.42","0.03","1509.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H25 Cl F2 N2 O4 -","- C40.4455 H24.891 Cl0.891 F2 N2 O4 -","- C80.891 H49.782 Cl1.782 F4 N4 O8 -","2","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.0785","0.0709","","","0.2042","0.2113","","","","","","1.097","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518538","8.183","0.0016","22.095","0.004","17.827","0.004","90","","102.33","0.03","90","","3148.8","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H24.75 Br2 Cl0.75 N2 O4 -","- C40.4255 H24.851 Br2 Cl0.851 N2 O4 -","- C161.702 H99.404 Br8 Cl3.404 N8 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.066","0.0595","","","0.167","0.1722","","","","","","1.106","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518539","7.836","0.0016","21.112","0.004","18.169","0.004","90","","101.14","0.03","90","","2949.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H25 N3 O4 -","- C41 H25 N3 O4 -","- C164 H100 N12 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.149","0.0982","","","0.2569","0.3001","","","","","","0.997","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518541","19.1327","0.0017","7.2972","0.0005","6.373","0.0005","90","","91.194","0.008","90","","889.57","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H16 O S -","- C26 H16 O S -","- C52 H32 O2 S2 -","2","1","","Wang, Jiangfeng; He, Yaowu; Guo, Shenghui; Ali, Muhammad Umair; Zhao, Changbin; Zhu, Yanan; Wang, Tao; Wang, Yunrui; Miao, Jingsheng; Wei, Guodan; Meng, Hong","Multifunctional Benzo[4,5]thieno[3,2-<i>b</i>]benzofuran Derivative with High Mobility and Luminescent Properties.","ACS applied materials & interfaces","2021","13","10","12250","12258","10.1021/acsami.0c21286","","x-ray","0.71073","MoKα","","0.0872","0.0841","","","0.2262","0.2287","","","","","","1.099","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518549","3.6227","0.0002","16.8605","0.0007","20.181","0.0011","90","","90.542","0.003","90","","1232.61","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Ag5 O18 -","- C18 H19 Ag5 O18 -","- C36 H38 Ag10 O36 -","2","0.5","","Fernandes, Tiago A.; Costa, Inês F M; Jorge, Paula; Sousa, Ana Catarina; André, Vânia; Cerca, Nuno; Kirillov, Alexander M.","Silver(I) Coordination Polymers Immobilized into Biopolymer Films for Antimicrobial Applications.","ACS applied materials & interfaces","2021","13","11","12836","12844","10.1021/acsami.0c19446","","","0.71073","MoKα","","0.0686","0.0483","","","0.0995","0.1075","","","","","","1.059","","","","has coordinates","263573","2021-04-04","09:55:58",""
"4518550","18.0157","0.0009","7.5287","0.0005","12.3181","0.0007","90","","132.675","0.005","90","","1228.36","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Ag O5 -","- C5 H4 Ag O5 -","- C40 H32 Ag8 O40 -","8","1","","Fernandes, Tiago A.; Costa, Inês F M; Jorge, Paula; Sousa, Ana Catarina; André, Vânia; Cerca, Nuno; Kirillov, Alexander M.","Silver(I) Coordination Polymers Immobilized into Biopolymer Films for Antimicrobial Applications.","ACS applied materials & interfaces","2021","13","11","12836","12844","10.1021/acsami.0c19446","","","0.71073","MoKα","","0.0361","0.0332","","","0.087","0.0899","","","","","","1.058","","","","has coordinates","263573","2021-04-04","09:55:58",""
"4518552","13.3536","0.0007","13.7853","0.0007","26.6637","0.0015","87.12","0.002","85.473","0.002","63.756","0.002","4388","0.4","150.01","","150.01","","","","","","","","","8","P -1","-P 1","2","","","","- C92 H80 Au2 Cl2 N4 O12 P6 Pt -","- C92 H80 Au2 Cl2 N4 O12 P6 Pt -","- C184 H160 Au4 Cl4 N8 O24 P12 Pt2 -","2","1","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.051","0.0436","","","0.1182","0.1241","","","","","","1.029","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518553","23.1201","0.0006","20.7108","0.0006","23.5545","0.0006","90","","110.966","0.001","90","","10532","0.5","174.17","","174.17","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H104 Au2 Cl14 O12 P6 Pt -","- C98 H104 Au2 Cl14 O12 P6 Pt -","- C392 H416 Au8 Cl56 O48 P24 Pt4 -","4","0.5","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0555","0.0362","","","0.0697","0.0784","","","","","","1.018","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518554","13.1943","0.0007","13.6496","0.0007","14.7391","0.0007","72.828","0.002","66.057","0.002","81.14","0.002","2316.1","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H84 Au2 Cl10 O12 P6 Pt -","- C88 H84 Au2 Cl10 O12 P6 Pt -","- C88 H84 Au2 Cl10 O12 P6 Pt -","1","0.5","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0462","0.0395","","","0.1052","0.1112","","","","","","1.038","","","","has coordinates","263574","2021-04-04","09:56:27",""
"4518555","13.2884","0.001","16.9733","0.0017","25.489","0.002","97.061","0.003","99.631","0.003","95.252","0.003","5587.9","0.8","100.02","","100.02","","","","","","","","","8","P -1","-P 1","2","","","","- C112 H98 Au Cl9 N2 O13 P6 Pt2 -","- C112 H98 Au Cl9.0001 N2 O13 P6 Pt2 -","- C224 H196 Au2 Cl18.0002 N4 O26 P12 Pt4 -","2","1","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0716","0.0621","","","0.1645","0.1715","","","","","","1.031","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518556","19.207","0.008","17.052","0.005","18.322","0.007","90","","120","0.02","90","","5197","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Li2 N2 O12 Zn2 -","- C54 H34 Li2 N2 O12 Zn2 -","- C216 H136 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79313","synchrotron","","0.0936","0.0655","","","0.1778","0.1952","","","","","","1.058","","","","has coordinates,has disorder","263575","2021-04-04","09:56:46",""
"4518557","19.2232","0.0011","17.053","0.0011","18.2386","0.0013","90","","119.979","0.005","90","","5178.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Li2 N2 O12 Zn2 -","- C52 H30 Li2 N2 O12 Zn2 -","- C208 H120 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79272","synchrotron","","0.0499","0.0432","","","0.1262","0.1304","","","","","","1.067","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518558","19.203","0.004","16.959","0.002","18.49","0.003","90","","120.276","0.01","90","","5200.2","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Li2 N2 O12 Zn2 -","- C54 H34 Li2 N2 O12 Zn2 -","- C216 H136 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79313","synchrotron","","0.0646","0.0541","","","0.153","0.1596","","","","","","1.078","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518559","18.9053","0.0003","17.21449","0.00018","18.3643","0.0003","90","","119.705","0.002","90","","5191.18","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H31 Li2 N2 O12 Zn2 -","- C50 H29 Li2 N2 O12 Zn2 -","- C200 H116 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","x-ray","0.71073","MoKα","","0.0449","0.0417","","","0.1382","0.1403","","","","","","1.085","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518560","17.514","0.0011","18.5021","0.0009","17.138","0.001","90","","114.783","0.007","90","","5042","0.6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H33 Li2 N3 O13 Zn2 -","- C46 H24 Li2 N2 O12 Zn2 -","- C184 H96 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","x-ray","0.71073","MoKα","","0.0751","0.065","","","0.1973","0.2056","","","","","","1.082","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518652","7.35482","0.00014","7.35482","","15.5119","0.0004","90","","90","","90","","839.09","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.8 Cu4 O40 Si16 Sr3.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.27","","","","","","","has coordinates","264771","2021-05-03","18:49:47",""
"4518653","7.335","0.0007","7.335","","15.4083","0.0015","90","","90","","90","","829","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca1.6 Cu4 O40 Si16 Sr2.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.24","","","","","","","has coordinates","264772","2021-05-03","18:50:10",""
"4518654","7.342","0.0007","7.342","","15.4547","0.0015","90","","90","","90","","833.09","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca1.2 Cu4 O40 Si16 Sr2.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.19","","","","","","","has coordinates","264773","2021-05-03","18:50:31",""
"4518655","7.3633","0.0007","7.3633","","15.5607","0.0014","90","","90","","90","","843.67","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.4 Cu4 O40 Si16 Sr3.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","264774","2021-05-03","18:50:58",""
"4518656","7.2986","0.0006","7.2986","","15.1269","0.0012","90","","90","","90","","805.8","0.09","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca Cu O10 Si4 -","- Ca Cu O10 Si4 -","- Ca4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.17","","","","","","","has coordinates","264775","2021-05-03","18:51:19",""
"4518657","7.31379","0.00013","7.31379","","15.2284","0.0004","90","","90","","90","","814.59","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca3.2 Cu4 O40 Si16 Sr0.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","264776","2021-05-03","18:51:40",""
"4518658","7.4432","0.0009","7.4432","","16.1448","0.0019","90","","90","","90","","894.44","0.15","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.8","","","","","","","has coordinates","264777","2021-05-03","18:52:02",""
"4518659","7.3129","0.0007","7.3129","","15.2631","0.0015","90","","90","","90","","816.25","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca2.8 Cu4 O40 Si16 Sr1.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates","264778","2021-05-03","18:52:23",""
"4518660","7.3033","0.0005","7.3033","","15.1774","0.0011","90","","90","","90","","809.54","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca3.6 Cu4 O40 Si16 Sr0.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264779","2021-05-03","18:52:43",""
"4518661","7.3223","0.0008","7.3223","","15.32","0.0017","90","","90","","90","","821.4","0.13","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca2.4 Cu4 O40 Si16 Sr1.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.03","","","","","","","has coordinates","264780","2021-05-03","18:53:04",""
"4518662","7.32","0.0005","7.32","","15.3171","0.001","90","","90","","90","","820.73","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca2 Cu4 O40 Si16 Sr2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264781","2021-05-03","18:53:25",""
"4518663","7.3703","0.0007","7.3703","","15.5999","0.0015","90","","90","","90","","847.41","0.11","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Cu O10 Si4 Sr -","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.5","","","","","","","has coordinates","264782","2021-05-03","18:53:45",""
"4518687","9.0685","0.0002","21.2193","0.0001","14.4387","0.0005","90","","125.301","0.002","90","","2267.53","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu I2 N -","- C16 H36 Cu I2 N -","- C64 H144 Cu4 I8 N4 -","4","1","","Lian, Linyuan; Zhang, Peng; Liang, Guijie; Wang, Song; Wang, Xi; Wang, Ya; Zhang, Xiuwen; Gao, Jianbo; Zhang, Daoli; Gao, Liang; Song, Haisheng; Chen, Rong; Lan, Xinzheng; Liang, Wenxi; Niu, Guangda; Tang, Jiang; Zhang, Jianbing","Efficient Dual-Band White-Light Emission with High Color Rendering from Zero-Dimensional Organic Copper Iodide.","ACS applied materials & interfaces","2021","13","19","22749","22756","10.1021/acsami.1c03881","","","1.54178","CuKα","","0.0449","0.0431","","","0.1223","0.1238","","","","","","1.044","","","","has coordinates","265744","2021-06-04","00:56:31",""
"4518696","37.1792","0.0017","23.4037","0.0012","7.155","0.0002","90","","90","","90","","6225.8","0.5","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C16 H10 In2 O14 -","- C16 H10 In2 O14 -","- C128 H80 In16 O112 -","8","0.5","","Lei, Jiao; Wang, Bingqiang; Li, Yong-Peng; Ji, Wen-Juan; Wang, Ke; Qi, Honglan; Chou, Pi-Tai; Zhang, Miao-Miao; Bian, Hongtao; Zhai, Quan-Guo","A New Molecular Recognition Concept: Multiple Hydrogen Bonds and Their Optically Triggered Proton Transfer in Confined Metal-Organic Frameworks for Superior Sensing Element.","ACS applied materials & interfaces","2021","13","19","22457","22465","10.1021/acsami.1c03410","","","1.54178","CuKα","","0.0403","0.0344","","","0.0781","0.0798","","","","","","1.052","","","","has coordinates","265743","2021-06-04","00:56:21",""
"4518702","18.9644","0.0014","21.3587","0.0016","24.0976","0.0014","102.656","0.005","106.031","0.006","114.606","0.007","7881.4","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H132 N8 O16 -","- C108 H132 N8 O16 -","- C216 H264 N16 O32 -","2","1","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.2397","0.1522","","","0.394","0.4761","","","","","","1.071","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518703","20.4736","0.0002","22.3662","0.0003","30.2829","0.0003","90","","93.322","0.001","90","","13843.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C132 H156 N12 O24 -","- C132 H148 N12 O25 -","- C528 H592 N48 O100 -","4","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1766","0.1585","","","0.4472","0.4793","","","","","","2.2","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518704","15.3502","0.001","15.3692","0.0007","16.3714","0.001","70.07","0.005","87.677","0.005","63.77","0.006","3229.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C150 H190 N8 O18 -","- C150 H190 N8 O18 -","- C150 H190 N8 O18 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1371","0.0891","","","0.2864","0.3139","","","","","","1.092","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518705","13.9505","0.0004","14.4066","0.0005","17.9329","0.0005","87.868","0.003","81.167","0.003","70.56","0.003","3357.99","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H145 Cl3 N8 O16 -","- C117 H145 Cl3 N8 O16 -","- C117 H145 Cl3 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1343","0.1052","","","0.3244","0.3555","","","","","","1.351","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518706","17.2006","0.0005","19.4445","0.0007","21.6853","0.0005","86.642","0.002","74.203","0.002","81.661","0.003","6903.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H185 N8 O16 -","- C156 H193 N8 O16 -","- C312 H386 N16 O32 -","2","1","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.0955","0.0672","","","0.1851","0.2242","","","","","","0.717","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518707","18.7447","0.0003","16.0246","0.0002","21.76","0.0003","90","","99.098","0.001","90","","6453.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C140 H176 N8 O16 -","- C140 H174 N8 O16 -","- C280 H348 N16 O32 -","2","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.0954","0.0713","","","0.2445","0.2812","","","","","","1.133","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518708","14.1691","0.0007","14.2947","0.0005","19.3506","0.001","104.038","0.004","101.711","0.004","111.164","0.004","3358","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H152 Cl12 N8 O16 -","- C144 H152 Cl12 N8 O16 -","- C144 H152 Cl12 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1271","0.0871","","","0.2357","0.2654","","","","","","1.038","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518709","14.1928","0.0005","14.8249","0.0005","17.5646","0.0007","97.157","0.003","106.347","0.003","101.21","0.003","3415","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H140 Cl4 N8 O16 -","- C120 H140 Cl4 N8 O16 -","- C120 H140 Cl4 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1271","0.1127","","","0.3747","0.4044","","","","","","1.752","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518735","24.293","0.004","6.1225","0.0009","21.491","0.003","90","","113.254","0.005","90","","2936.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cd N2 O7 -","- C11 H15 Cd N2 O7 -","- C88 H120 Cd8 N16 O56 -","8","1","","Bej, Sourav; Mandal, Sukdeb; Mondal, Amita; Pal, Tapan K.; Banerjee, Priyabrata","Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with Hydrogel Membranes @ ""Turn-On"" Monitoring of Formaldehyde in Solution and Vapor Phase.","ACS applied materials & interfaces","2021","13","21","25153","25163","10.1021/acsami.1c05998","","","0.71073","MoKα","","0.0817","0.0573","","","0.1417","0.1566","","","","","","1.047","","","","has coordinates","265746","2021-06-04","00:57:16",""
"4518736","34.418","0.004","10.179","0.0011","18.202","0.002","90","","103.084","0.003","90","","6211.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H10 Cd3 N6 O16 -","- C32 H10 Cd3 N6 O16 -","- C128 H40 Cd12 N24 O64 -","4","0.5","","Bej, Sourav; Mandal, Sukdeb; Mondal, Amita; Pal, Tapan K.; Banerjee, Priyabrata","Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with Hydrogel Membranes @ ""Turn-On"" Monitoring of Formaldehyde in Solution and Vapor Phase.","ACS applied materials & interfaces","2021","13","21","25153","25163","10.1021/acsami.1c05998","","","0.71073","MoKα","","0.1299","0.1076","","","0.3203","0.3471","","","","","","1.387","","","","has coordinates","265746","2021-06-04","00:57:16",""
"4518759","12.5963","0.0011","15.8309","0.0012","21.3399","0.0016","90","","94.305","0.007","90","","4243.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H95 Co2 N3 O42 -","- C72 H61 Co2 O34 -","- C144 H122 Co4 O68 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1448","0.0814","","","0.2101","0.2503","","","","","","1.027","","","","has coordinates","266953","2021-07-04","01:29:20",""
"4518760","12.4181","0.0012","15.923","0.0015","21.1268","0.0018","90","","99.729","0.003","90","","4117.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N2 O38 -","- C75 H69 Co2 N O35 -","- C150 H138 Co4 N2 O70 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1781","0.1145","","","0.2815","0.3235","","","","","","1.064","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4518761","12.5759","0.0006","15.8171","0.0007","21.3319","0.001","90","","93.982","0.002","90","","4233","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N14 O58 -","- C78 H80 Co2 N4 O41 -","- C156 H160 Co4 N8 O82 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1403","0.0761","","","0.2045","0.251","","","","","","1.023","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4518780","21.6169","0.001","9.6595","0.0007","23.7518","0.0011","90","","101.541","0.004","90","","4859.3","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C28 H32 O3 -","- C28 H33 O3 -","- C224 H264 O24 -","8","1","","Liao, Rui; Wang, Xiumei; Peng, Ling; Sun, Huibin; Huang, Wei","Achieving Organic Smart Fluorophores by Controlling the Balance between Intermolecular Interactions and External Stimuli.","ACS applied materials & interfaces","2021","13","23","27491","27499","10.1021/acsami.1c07252","","","0.71073","MoKα","","0.1294","0.0697","","","0.1925","0.2402","","","","","","1.006","","","","has coordinates","266954","2021-07-04","01:30:00",""
"4518781","14.1982","0.0015","16.0559","0.0017","16.8088","0.0019","94.221","0.003","99.465","0.003","103.118","0.003","3656.4","0.7","130.15","","130.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H44 Co3 N6 O16 -","- C59 H44 Co3 N6 O16 -","- C118 H88 Co6 N12 O32 -","2","1","","Seal, Nilanjan; Palakkal, Athulya S.; Singh, Manpreet; Goswami, Ranadip; Pillai, Renjith S.; Neogi, Subhadip","Chemically Robust and Bifunctional Co(II)-Framework for Trace Detection of Assorted Organo-toxins and Highly Cooperative Deacetalization-Knoevenagel Condensation with Pore-Fitting-Induced Size-Selectivity.","ACS applied materials & interfaces","2021","13","24","28378","28389","10.1021/acsami.1c07273","","","0.71073","MoKα","","0.1432","0.0945","","","0.2556","0.2987","","","","","","1.0851","","","","has coordinates","266949","2021-07-04","01:26:16",""
"4518782","9.3728","0.0014","3.9812","0.0007","22.161","0.004","90","","93.573","0.005","90","","825.3","0.2","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 O0 -","- C10 H6 N2 -","- C40 H24 N8 -","4","1","","Seal, Nilanjan; Palakkal, Athulya S.; Singh, Manpreet; Goswami, Ranadip; Pillai, Renjith S.; Neogi, Subhadip","Chemically Robust and Bifunctional Co(II)-Framework for Trace Detection of Assorted Organo-toxins and Highly Cooperative Deacetalization-Knoevenagel Condensation with Pore-Fitting-Induced Size-Selectivity.","ACS applied materials & interfaces","2021","13","24","28378","28389","10.1021/acsami.1c07273","","","0.71073","MoKα","","0.1348","0.0609","","","0.1513","0.1964","","","","","","1.002","","","","has coordinates","266949","2021-07-04","01:26:33",""
"4518783","13.8699","0.0003","17.5411","0.0003","27.7173","0.0003","90","","94.007","0.001","90","","6726.9","0.2","130","2","130","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 O9 Zn -","- C34 H28 N6 O9 Zn -","- C272 H224 N48 O72 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","x-ray","0.71073","MoKα","","0.1066","0.0594","","","0.1118","0.1278","","","","","","1.085","","","","has coordinates","266950","2021-07-04","01:27:11",""
"4518784","12.98","0.003","18.06","0.004","27.94","0.006","90","","94.34","0.03","90","","6531","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O7 Zn -","- C34 H24 N6 O7 Zn -","- C272 H192 N48 O56 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","","0.8939","synchrotron","","0.0741","0.0556","","","0.1448","0.1769","","","","","","1.098","","","","has coordinates","266950","2021-07-04","01:27:18",""
"4518785","16.9782","0.0013","18.508","0.0014","26.157","0.002","90","","101.653","0.008","90","","8050","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O7 Zn -","- C34 H24 N6 O7 Zn -","- C272 H192 N48 O56 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","x-ray","0.71073","MoKα","","0.1551","0.1193","","","0.3288","0.351","","","","","","1.032","","","","has coordinates,has disorder","266950","2021-07-04","01:27:18",""
"4518786","17.2358","0.0008","4.9787","0.0002","25.0265","0.0009","90","","97.307","0.004","90","","2130.13","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","2","","Liang, Juncong; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","Hierarchically Evolved Supramolecular Chirality Mediated by Arene-Perfluoroarene Interaction.","ACS applied materials & interfaces","2021","13","24","29170","29178","10.1021/acsami.1c07720","","x-ray","1.54184","CuKα","","0.0714","0.0566","","","0.1442","0.1531","","","","","","1.049","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4518807","5.0497","0.0002","6.4021","0.0002","12.9263","0.0005","82.558","0.003","84.65","0.003","70.411","0.003","389.83","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N8 O3 -","- C4 H5 N8 O3 -","- C8 H10 N16 O6 -","2","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","","1.54178","CuKα","","0.0452","0.0401","","","0.1137","0.1191","","","","","","1.085","","","","has coordinates,has disorder","266948","2021-07-04","01:25:21",""
"4518808","6.519","0.0003","11.9913","0.0004","11.7693","0.0004","90","","91.414","0.001","90","","919.74","0.06","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cl N6 O6 -","- C4 H5 Cl N6 O6 -","- C16 H20 Cl4 N24 O24 -","4","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","","0.71073","MoKα","","0.0742","0.0453","","","0.0935","0.1127","","","","","","1.046","","","","has coordinates","266948","2021-07-04","01:25:29",""
"4518809","9.6613","0.0001","11.1387","0.0002","15.57","0.0002","90","","90","","90","","1675.55","0.04","295.51","0.14","295.51","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C32 H40 N56 O40 -","8","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0993","0.104","","","","","","1.063","","","","has coordinates","266948","2021-07-04","01:25:29",""
"4518812","18.0282","0.0008","18.0282","0.0008","13.0723","0.0008","90","","90","","120","","3679.5","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H75 Cl Cu6 N10 O30 S6 Sr -","- C42.999 H36 Cl0.9999 Cu6 N9.9996 O24 S6 Sr -","- C85.998 H72 Cl1.9998 Cu12 N19.9992 O48 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.106","0.0835","","","0.2488","0.2761","","","","","","1.075","","","","has coordinates","266947","2021-07-04","01:24:19",""
"4518813","18.009","0.0008","18.009","0.0008","13.0756","0.0008","90","","90","","120","","3672.6","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H91 Cl Cu6 N10 O39 S7 Sr -","- C42.999 Cl0.9999 Cu6 N9.9996 O24 S6.9999 Sr -","- C85.998 Cl1.9998 Cu12 N19.9992 O48 S13.9998 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.0949","0.0693","","","0.2149","0.2274","","","","","","1.575","","","","has coordinates","266947","2021-07-04","01:24:31",""
"4518814","17.8207","0.00005","17.8207","0.00005","12.9538","0.00006","90","","90","","120","","3562.68","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C33 H118 Cu6 N6 O57 S6 Sr -","- C33 H42 Cu6 N6 O21 S6 Sr -","- C66 H84 Cu12 N12 O42 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.6889","Synchrotron","","0.0929","0.0574","","","0.1718","0.1847","","","","","","0.976","","","","has coordinates","266947","2021-07-04","01:24:31",""
"4518817","20.401","","8.446","","18.581","","90","","122.18","","90","","2709.8","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb0.87 Sn0.14 -","- C20 H44 Br4 N2 Pb0.864 Sn0.136 -","- C80 H176 Br16 N8 Pb3.456 Sn0.544 -","4","0.5","","Fan, Liubing; Liu, Kunjie; Zeng, Qindan; Li, Mingyang; Cai, Hao; Zhou, Jun; He, Shihui; Zhao, Jing; Liu, Quanlin","Efficiency-Tunable Single-Component White-Light Emission Realized in Hybrid Halides Through Metal Co-Occupation","ACS Applied Materials & Interfaces","2021","13","25","29835","29842","10.1021/acsami.1c07636","","","0.71069","MoKα","","0.0548","0.0522","","","0.1318","0.1349","","","","","","1.05","","","","has coordinates","266952","2021-07-04","01:28:24",""
"4518867","16.956","0.0007","21.4248","0.0014","12.6214","0.0006","90","","121.167","0.003","90","","3923.3","0.4","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C96 H36 N6 Na4 O62 P6 Tb4 -","2","0.5","","Jia, Peng; Gao, Liang; Zheng, Yan; Zheng, Xian; Wang, Chang; Yang, Chaolong; Li, Youbing; Zhao, Yanli","Ultrastable Tb-Organic Framework as a Selective Sensor of Phenylglyoxylic Acid in Urine.","ACS applied materials & interfaces","2021","13","28","33546","33556","10.1021/acsami.1c09202","","","1.54178","CuKα","","0.0988","0.079","","","0.2103","0.2269","","","","","","1.042","","","","has coordinates,has disorder","267924","2021-08-03","23:28:15",""
"4518883","16.6706","0.0012","16.6706","0.0013","17.7165","0.0012","65.501","0.003","65.445","0.003","69.98","0.004","3988.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N4 O18 Zn3 -","- C30 H23 N4 O18 Zn3 -","- C60 H46 N8 O36 Zn6 -","2","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","0.71073","MoKα","","0.3216","0.1733","","","0.4136","0.5072","","","","","","1.086","","","","has coordinates","267925","2021-08-03","23:28:30",""
"4518884","10.2148","0.0005","10.2225","0.0005","14.605","0.0009","74.713","0.002","73.547","0.002","84.322","0.001","1410.38","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cd N3 O10 -","- C20 H17 Cd N3 O10 -","- C40 H34 Cd2 N6 O20 -","2","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","0.71073","MoKα","","0.0628","0.0569","","","0.1368","0.1421","","","","","","1.15","","","","has coordinates","267925","2021-08-03","23:28:35",""
"4518885","14.0184","0.0002","12.9591","0.0003","26.4631","0.0005","90","","90.9254","0.0015","90","","4806.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.15 H31.67 Co2 N5.38 O16 -","- C28.146 H31.674 Co2 N5.382 O15.998 -","- C112.584 H126.696 Co8 N21.528 O63.992 -","4","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","1.54184","CuKα","","0.0909","0.076","","","0.2127","0.2244","","","","","","1.061","","","","has coordinates,has disorder","267925","2021-08-03","23:28:35",""
"4518892","34.215","0.002","31.0051","0.0018","11.7278","0.0008","90","","90","","90","","12441.3","1.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H28 N6 O8 Zn2 -","- C46 H28 N6 O8 Zn2 -","- C368 H224 N48 O64 Zn16 -","8","1","","Goswami, Ranadip; Das, Sandeep; Seal, Nilanjan; Pathak, Biswarup; Neogi, Subhadip","High-Performance Water Harvester Framework for Triphasic and Synchronous Detection of Assorted Organotoxins with Site-Memory-Reliant Security Encryption via pH-Triggered Fluoroswitching.","ACS applied materials & interfaces","2021","13","29","34012","34026","10.1021/acsami.1c05088","","","0.71073","MoKα","","0.0993","0.0628","","","0.1603","0.1758","","","","","","0.8044","","","","has coordinates","267922","2021-08-03","23:27:49",""
"4518898","26.4005","0.0007","17.3776","0.0008","47.1016","0.0008","90","","96.7506","0.0019","90","","21459.3","1.2","105","8","105","8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H248 N8 O84 S16 Zn16 -","- C256 H240 N8 O84 S16 Zn16 -","- C512 H480 N16 O168 S32 Zn32 -","2","0.5","","He, Can; Chen, Xuzhuo; Sun, Cheng-Zhe; Zhang, Li-Yi; Xu, Weifeng; Zhang, Shanyong; Wang, Zhenqiang; Dai, Feng-Rong","Decahexanuclear Zinc(II) Coordination Container Featuring a Flexible Tetracarboxylate Ligand: A Self-Assembly Supermolecule for Highly Efficient Drug Delivery of Anti-Inflammatory Agents.","ACS applied materials & interfaces","2021","13","29","33812","33820","10.1021/acsami.1c06311","","","1.3405","GaKα","","0.1349","0.0931","","","0.2318","0.259","","","","","","1.059","","","","has coordinates,has disorder","267923","2021-08-03","23:28:06",""
"4518928","20.847","0.0004","26.6888","0.0006","9.3343","0.0002","90","","100.428","0.002","90","","5107.65","0.19","99.97","0.1","99.97","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H29 Fe La N4 O10 -","- C48 H29 Fe La N4 O10 -","- C192 H116 Fe4 La4 N16 O40 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0619","0.0609","","","0.1708","0.1716","","","","","","1.039","","","","has coordinates","268477","2021-09-04","02:56:15",""
"4518929","21.3157","0.0009","26.6555","0.001","9.6912","0.0004","90","","105.882","0.004","90","","5296.2","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H27 La N4 Ni O10 -","- C48 H29 La N4 Ni O10 -","- C192 H116 La4 N16 Ni4 O40 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54178","CuKα","","0.0858","0.0817","","","0.2251","0.2314","","","","","","1.077","","","","has coordinates","268477","2021-09-04","02:56:16",""
"4518930","20.8862","0.0007","26.7254","0.001","9.3768","0.0004","90","","100.281","0.004","90","","5150","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H29 La N4 O10 Zn -","- C48 H29 La N4 O10 Zn -","- C192 H116 La4 N16 O40 Zn4 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0705","0.0616","","","0.1754","0.1894","","","","","","1.096","","","","has coordinates","268477","2021-09-04","02:56:16",""
"4518931","21.5757","0.0003","24.2503","0.0002","31.8735","0.0004","90","","102.464","0.001","90","","16283.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H52 La2 N8 O14 -","- C78 H52 La2 N8 O14 -","- C624 H416 La16 N64 O112 -","8","1","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0794","0.0674","","","0.1958","0.2067","","","","","","1.053","","","","has coordinates,has disorder","268477","2021-09-04","02:56:16",""
"4518932","10.2489","0.0006","10.3638","0.0005","15.0581","0.0009","105.732","0.003","96.365","0.003","114.941","0.003","1348.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[aqua(mu-4,4´-bipyridine)(mu-uracil-1-acetato)(uracil-1-acetato) copper(II)] trihydrate","","- C22 H24 Cu N6 O11 -","- C22 H18 Cu N6 O8 -","- C44 H36 Cu2 N12 O16 -","2","1","","Vegas, Verónica G; Latorre, Ana; Marcos, María Luisa; Gómez-García, Carlos J; Castillo, Óscar; Zamora, Félix; Gómez, Jacobo; Martínez-Costas, José; Vázquez López, Miguel; Somoza, Álvaro; Amo-Ochoa, Pilar","Rational Design of Copper(II)-Uracil Nanoprocessed Coordination Polymers to Improve Their Cytotoxic Activity in Biological Media.","ACS applied materials & interfaces","2021","13","31","36948","36957","10.1021/acsami.1c11612","","","0.71073","MoKα","","0.0977","0.0681","","","0.1897","0.2098","","","","","","1.063","","","","has coordinates,has disorder","268476","2021-09-04","02:55:37",""
"4518933","17.3204","0.0013","11.0969","0.0006","27.933","0.002","90","","96.92","0.004","90","","5329.7","0.6","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[aqua(mu-4,4´-bipyridine)bis(5-fluorouracil-1-acetato) copper(II)] - water (1/3.5)","","- C22 H23 Cu F2 N6 O11.5 -","- C22 H16 Cu F2 N6 O11.5 -","- C176 H128 Cu8 F16 N48 O92 -","8","1","","Vegas, Verónica G; Latorre, Ana; Marcos, María Luisa; Gómez-García, Carlos J; Castillo, Óscar; Zamora, Félix; Gómez, Jacobo; Martínez-Costas, José; Vázquez López, Miguel; Somoza, Álvaro; Amo-Ochoa, Pilar","Rational Design of Copper(II)-Uracil Nanoprocessed Coordination Polymers to Improve Their Cytotoxic Activity in Biological Media.","ACS applied materials & interfaces","2021","13","31","36948","36957","10.1021/acsami.1c11612","","","0.71073","MoKα","","0.1027","0.069","","","0.1911","0.2183","","","","","","1.03","","","","has coordinates,has disorder","268476","2021-09-04","02:55:38",""
"4518948","36.922","0.0008","39.257","0.003","42.254","0.0009","90","","90","","90","","61245","5","99.9","0.4","99.9","0.4","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","x-ray","1.54184","CuKα","","0.124","0.079","","","0.2313","0.2659","","","","","","1.05","","","","has coordinates","268383","2021-09-03","18:58:17",""
"4518949","37.1447","0.0007","38.972","0.004","42.3711","0.0012","90","","90","","90","","61337","7","100.15","","100.15","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","","1.54178","CuKα","","0.1566","0.089","","","0.26","0.317","","","","","","1.079","","","","has coordinates","268384","2021-09-03","18:58:47",""
"4518950","15.1751","0.0003","15.1751","0.0003","12.0768","0.0004","90","","90","","90","","2781.09","0.12","100","2","100.15","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C18 H10 Ni2 O15 -","- C18 H10 Ni2 O15 -","- C72 H40 Ni8 O60 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhang, Xian-Ming","<i>In Situ</i> Aliovalent Nickle Substitution and Acidic Modification of Nanowalls Promoted Proton Conductivity in InOF with 1D Helical Channel.","ACS applied materials & interfaces","2021","13","32","38289","38295","10.1021/acsami.1c09001","","","0.71073","MoKα","","0.0619","0.0575","","","0.1656","0.1711","","","","","","1.195","","","","has coordinates,has disorder","268385","2021-09-03","18:59:11",""
"4518951","16.0496","0.0008","28.0149","0.0011","35.322","0.005","90","","90","","90","","15882","2","149.99","0.1","149.99","0.1","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C78 H36 F4 N6 O2 S4 -","- C78 H36 F4 N6 O2 S4 -","- C312 H144 F16 N24 O8 S16 -","4","0.5","","Wang, Xiaodong; Lu, Hao; Zhou, Jiadong; Xu, Xiaoyun; Zhang, Cai'e; Huang, Hao; Song, Jinsheng; Liu, Yahui; Xu, Xinjun; Xie, Zengqi; Tang, Zheng; Bo, Zhishan","High-Performance Simple Nonfused Ring Electron Acceptors with Diphenylamino Flanking Groups.","ACS applied materials & interfaces","2021","13","33","39652","39659","10.1021/acsami.1c09597","","x-ray","1.54184","CuKα","","0.1841","0.1142","","","0.2983","0.3514","","","","","","0.951","","","","has coordinates","268386","2021-09-03","18:59:38",""
"4518952","10.8683","0.0005","11.6322","0.0003","17.276","0.0005","105.099","0.001","103.555","0.002","93.979","0.002","2030.04","0.12","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl2 Cu N3 O -","- C22 H19 Cl2 Cu N3 O -","- C88 H76 Cl8 Cu4 N12 O4 -","4","2","","Xiong, Kai; Zhou, Ying; Karges, Johannes; Du, Kejie; Shen, Jinchao; Lin, Mingwei; Wei, Fangmian; Kou, Junfeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Autophagy-Dependent Apoptosis Induced by Apoferritin-Cu(II) Nanoparticles in Multidrug-Resistant Colon Cancer Cells.","ACS applied materials & interfaces","2021","13","33","38959","38968","10.1021/acsami.1c07223","","","0.71073","MoKα","","0.0369","0.032","","","0.0882","0.0916","","","","","","1.067","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4518953","23.703","0.002","17.2517","0.0017","21.804","0.002","90","","110.008","0.002","90","","8377.9","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H7 Cu3 F3 N12 O7 -","- C32 H7 Cu3 F3 N12 O7 -","- C256 H56 Cu24 F24 N96 O56 -","8","1","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0525","0.0522","","","0.1465","0.1467","","","","","","1.049","","","","has coordinates","268388","2021-09-03","19:01:00",""
"4518954","24.8313","0.0003","16.5089","0.0002","22.0041","0.0003","90","","111.837","0.001","90","","8373.06","0.19","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 Cu6 F6 N26 O15 -","- C54 H32 Cu6 F6 N26 O15 -","- C216 H128 Cu24 F24 N104 O60 -","4","0.5","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0432","0.0394","","","0.1118","0.1157","","","","","","1.048","","","","has coordinates","268389","2021-09-03","19:01:29",""
"4518955","23.669","0.004","17.238","0.003","21.847","0.004","90","","109.832","0.005","90","","8385","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H7 Cu3 F3 N12 O7 -","- C27 H7 Cu3 F3 N12 O7 -","- C216 H56 Cu24 F24 N96 O56 -","8","1","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0431","0.0423","","","0.116","0.1168","","","","","","0.997","","","","has coordinates","268390","2021-09-03","19:01:54",""
"4518956","14.597","0.0014","17.6854","0.0019","7.142","0.001","90","","90","","90","","1843.7","0.4","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 N9 O -","- C19 H19 N9 O -","- C76 H76 N36 O4 -","4","1","","Meng, Peng; Han, Chenhui; Scully, Andrew D.; Xiao, Qi; Brock, Aidan J.; Hirai, Tadahiko; Skidmore, Melissa; McMurtrie, John C.; Chesman, Anthony S. R.; Xu, Jingsan","Unconventional, Gram-Scale Synthesis of a Molecular Dimer Organic Luminogen with Aggregation-Induced Emission.","ACS applied materials & interfaces","2021","13","34","40441","40450","10.1021/acsami.1c05841","","x-ray","0.71073","MoKα","","0.0926","0.0601","","","0.1242","0.1433","","","","","","1.038","","","","has coordinates","268391","2021-09-03","19:02:19",""
"4519034","37.708","0.0007","37.708","0.0007","37.708","0.0007","90","","90","","90","","53616.8","1.7","293.15","","293.15","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C40 H24 Fe3 N6 O14 -","- C40 H24 Fe3 N6 O14 -","- C960 H576 Fe72 N144 O336 -","24","0.5","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0618","0.0548","","","0.1457","0.1502","","","","","","1.138","","","","has coordinates","269461","2021-10-03","19:06:34",""
"4519035","32.5991","0.0009","32.5991","0.0009","32.5991","0.0009","90","","90","","90","","34643.1","1.7","243","","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C60 H39 Fe3 N6 O16 -","- C60 H39 Fe3 N6 O16 -","- C480 H312 Fe24 N48 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0803","0.0745","","","0.2002","0.2052","","","","","","1.116","","","","has coordinates,has disorder","269462","2021-10-03","19:07:03",""
"4519036","29.8619","0.0007","29.8619","0.0007","29.8619","0.0007","90","","90","","90","","26628.8","1.1","243","2","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C51 H30 Fe3 N6 O16 -","- C51.636 H35.904 Fe3 N6 O16 -","- C413.088 H287.232 Fe24 N48 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0757","0.0718","","","0.1986","0.2026","","","","","","1.055","","","","has coordinates,has disorder","269463","2021-10-03","19:07:41",""
"4519037","33.5266","0.0005","33.5266","0.0005","33.5266","0.0005","90","","90","","90","","37685","1","243","2","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C60 H39 Fe3 N9 O16 -","- C60 H39 Fe3 N9 O16 -","- C480 H312 Fe24 N72 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0879","0.0836","","","0.2322","0.2361","","","","","","1.292","","","","has coordinates,has disorder","269464","2021-10-03","19:08:16",""
"4519038","23.9417","0.0011","9.4035","0.0004","33.0239","0.0019","90","","107.014","0.005","90","","7109.5","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C85 H78 Cl4 N2 O3 P2 -","- C85 H78 Cl4 N2 O3 P2 -","- C340 H312 Cl16 N8 O12 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","0.71073","MoKα","","0.0868","0.069","","","0.1882","0.2038","","","","","","1.022","","","","has coordinates","269465","2021-10-03","19:08:42",""
"4519039","32.3093","0.0008","8.91065","0.00019","24.5282","0.0006","90","","98.619","0.002","90","","6981.8","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H72 Cl4 N2 O5 P2 -","- C81 H72 Cl4 N2 O5 P2 -","- C324 H288 Cl16 N8 O20 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","0.71073","MoKα","","0.0709","0.0556","","","0.1283","0.1362","","","","","","1.06","","","","has coordinates,has disorder","269466","2021-10-03","19:09:09",""
"4519040","30.9299","0.0003","8.85314","0.00006","23.8928","0.0002","90","","101.858","0.0008","90","","6402.88","0.09","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H66 N2 O7 P2 -","- C77 H66 N2 O7 P2 -","- C308 H264 N8 O28 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","1.54184","CuKα","","0.06","0.0588","","","0.1598","0.1615","","","","","","1.025","","","","has coordinates","269467","2021-10-03","19:09:34",""
"4519041","11.5887","0.0009","11.5887","0.0009","11.5887","0.0009","90","","90","","90","","1556.3","0.2","200","","200","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ba8 Ga14.89 Sn31.11 -","- Ba8 Ga14.892 Sn31.108 -","- Ba8 Ga14.892 Sn31.108 -","1","0.0208333","","Dopilka, Andrew; Childs, Amanda; Ovchinnikov, Alexander; Zhao, Ran; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Structural and Electrochemical Properties of Type VIII Ba<sub>8</sub>Ga<sub>16-δ</sub>Sn<sub>30+δ</sub> Clathrate (δ ≈ 1) during Lithiation.","ACS applied materials & interfaces","2021","13","36","42564","42578","10.1021/acsami.1c07240","","","0.71073","MoKα","","0.0216","0.0192","","","0.033","0.0335","","","","","","1.142","","","","has coordinates","269468","2021-10-03","19:10:00",""
"4519042","8.5562","0.0011","13.0648","0.0017","15.133","0.002","66.568","0.002","89.136","0.003","77.055","0.002","1507.5","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 Cu N6 O9 -","- C27 H22 Cu N6 O5 -","- C54 H44 Cu2 N12 O10 -","2","1","","Khan, Sheeba; Mandal, Sanjay K.","Luminescent 2D Pillared-Bilayer Metal-Organic Coordination Networks for Selective Sensing of ReO<sub>4</sub><sup>-</sup> in Water.","ACS applied materials & interfaces","2021","13","38","45465","45474","10.1021/acsami.1c11606","","x-ray","0.71073","MoKα","","0.0683","0.0481","","","0.1211","0.1282","","","","","","0.967","","","","has coordinates","269469","2021-10-03","19:10:38",""
"4519043","8.6078","0.001","13.3046","0.0014","15.364","0.0015","66.422","0.003","85.75","0.003","76.567","0.003","1568.2","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O9 Zn -","- C27 H22 N6 O5 Zn -","- C54 H44 N12 O10 Zn2 -","2","1","","Khan, Sheeba; Mandal, Sanjay K.","Luminescent 2D Pillared-Bilayer Metal-Organic Coordination Networks for Selective Sensing of ReO<sub>4</sub><sup>-</sup> in Water.","ACS applied materials & interfaces","2021","13","38","45465","45474","10.1021/acsami.1c11606","","x-ray","0.71073","MoKα","","0.0527","0.0404","","","0.1131","0.1193","","","","","","1.054","","","","has coordinates","269470","2021-10-03","19:11:06",""
"4519044","7.6792","0.0015","22.111","0.004","17.75","0.004","90","","90.29","0.03","90","","3013.8","1.1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35.5 H31 B Cl N O -","- C35.5 H31 B Cl N O -","- C142 H124 B4 Cl4 N4 O4 -","4","2","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0708","0.0624","","","0.1759","0.1842","","","","","","1.075","","","","has coordinates","269471","2021-10-03","19:11:37",""
"4519045","14.5452","0.0002","14.5452","0.0002","29.1039","0.0008","90","","90","","90","","6157.3","0.2","193","2","193","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C39 H34 B N O -","- C39 H34 B N O -","- C312 H272 B8 N8 O8 -","8","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0431","0.0391","","","0.0991","0.1023","","","","","","1.041","","","","has coordinates","269472","2021-10-03","19:12:10",""
"4519046","11.1392","0.0011","16.7428","0.0017","17.1634","0.0018","90","","90","","90","","3201","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0457","0.0413","","","0.1075","0.1109","","","","","","1.032","","","","has coordinates","269473","2021-10-03","19:12:34",""
"4519047","10.938","0.007","10.939","0.006","14.771","0.011","70.553","0.015","70.509","0.017","89.922","0.012","1559","1.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 Eu N5 O6 -","- C30 H17 Eu N5 O6 -","- C60 H34 Eu2 N10 O12 -","2","1","","Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.","Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.","ACS applied materials & interfaces","2021","13","38","45696","45707","10.1021/acsami.1c11018","","x-ray","0.71076","MoKα","","0.0655","0.0509","","","0.0933","0.0986","","","","","","1.138","","","","has coordinates,has disorder","269474","2021-10-03","19:13:11",""
"4519048","8.6105","0.0003","13.6163","0.0005","13.6664","0.0005","81.833","0.001","81.442","0.001","79.354","0.001","1546.32","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 N6 O9 Tb -","- C33 H20 N6 O9 Tb -","- C66 H40 N12 O18 Tb2 -","2","1","","Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.","Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.","ACS applied materials & interfaces","2021","13","38","45696","45707","10.1021/acsami.1c11018","","x-ray","0.71073","MoKα","","0.0438","0.0356","","","0.0792","0.0837","","","","","","1.116","","","","has coordinates,has disorder","269474","2021-10-03","19:13:12",""
"4519049","10.8396","0.0005","11.4532","0.0006","17.516","0.0009","99.74","0.004","97.79","0.004","108.442","0.004","1991.16","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H32.5 Co1.5 N6.5 O10 -","- C41.5 H32.5 Co1.5 N6.5 O10 -","- C83 H65 Co3 N13 O20 -","2","1","","Zhao, Jian; Jiao, Zhuo-Hao; Hou, Sheng-Li; Ma, Yue; Zhao, Bin","Anchoring Ag(I) into Nitro-Functionalized Metal-Organic Frameworks: Effectively Catalyzing Cycloaddition of CO<sub>2</sub> with Propargylic Alcohols under Mild Conditions.","ACS applied materials & interfaces","2021","13","38","45558","45565","10.1021/acsami.1c13438","","","0.71073","MoKα","","0.0724","0.0547","","","0.1497","0.1637","","","","","","1.068","","","","has coordinates,has disorder","269475","2021-10-03","19:13:41",""
"4519081","11.672","0.002","13.783","0.003","13.798","0.003","107.44","0.03","93.06","0.03","97.48","0.03","2089.7","0.8","213","2","213.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 N2 O3 S -","- C56 H42 N2 O3 S -","- C112 H84 N4 O6 S2 -","2","1","","Wang, Ruifang; Li, Zhiyi; Hu, Taiping; Tian, Lei; Hu, Xiaoxiao; Liu, Shihao; Cao, Chen; Zhu, Ze-Lin; Tan, Ji-Hua; Yi, Yuanping; Wang, Pengfei; Lee, Chun-Sing; Wang, Ying","Two-Channel Space Charge Transfer-Induced Thermally Activated Delayed Fluorescent Materials for Efficient OLEDs with Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","41","49066","49075","10.1021/acsami.1c12627","","","0.71073","MoKα","","0.0821","0.0679","","","0.1309","0.1377","","","","","","1.158","","","","has coordinates","270222","2021-11-03","19:59:59",""
"4519082","13.3772","0.0012","14.077","0.0012","15.7032","0.0015","67.135","0.004","77.482","0.005","85.123","0.004","2660","0.4","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H54 N2 O S -","- C66.5 H54 N2 O S -","- C133 H108 N4 O2 S2 -","2","1","","Wang, Ruifang; Li, Zhiyi; Hu, Taiping; Tian, Lei; Hu, Xiaoxiao; Liu, Shihao; Cao, Chen; Zhu, Ze-Lin; Tan, Ji-Hua; Yi, Yuanping; Wang, Pengfei; Lee, Chun-Sing; Wang, Ying","Two-Channel Space Charge Transfer-Induced Thermally Activated Delayed Fluorescent Materials for Efficient OLEDs with Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","41","49066","49075","10.1021/acsami.1c12627","","","1.54178","CuKα","","0.1123","0.0793","","","0.2285","0.27","","","","","","1.086","","","","has coordinates","270223","2021-11-03","20:00:24",""
"4519083","15.805","0.0006","15.805","0.0006","22.386","0.003","90","","90","","90","","5592","0.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H12 Cu2 N10 O4 -","- C14 H12 Cu2 N10 O4 -","- C112 H96 Cu16 N80 O32 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","","1.54178","CuKα","","0.1024","0.0585","","","0.152","0.1838","","","","","","1.034","","","","has coordinates","270224","2021-11-03","20:01:24",""
"4519084","15.7354","0.0003","15.7354","0.0003","22.597","0.0006","90","","90","","90","","5595.1","0.2","265.94","0.12","265.94","0.12","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H21 Cu2 N11 O5 -","- C18 H21 Cu2 N11 O5 -","- C144 H168 Cu16 N88 O40 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","x-ray","1.54184","CuKα","","0.0937","0.0665","","","0.1762","0.198","","","","","","1.084","","","","has coordinates,has disorder","270224","2021-11-03","20:01:25",""
"4519085","15.7418","0.0002","15.7418","0.0002","22.3494","0.0006","90","","90","","90","","5538.28","0.18","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H12 Cu2 N10 O11 -","- C14 H12 Cu2 N10 O11 -","- C112 H96 Cu16 N80 O88 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","","1.54178","CuKα","","0.1098","0.07","","","0.1671","0.1885","","","","","","1.083","","","","has coordinates,has disorder","270224","2021-11-03","20:01:25",""
"4519086","12.695","0.0005","9.0348","0.0003","9.2339","0.0003","90","","91.204","0.003","90","","1058.86","0.06","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Fe2 Mo2 Na O12 P -","- Fe2 Mo2 Na O12 P -","- Fe8 Mo8 Na4 O48 P4 -","4","1","","Wu, Yun; Cao, Zhenyu; Song, Limei; Gao, Jianhua","NaFe<sub>2</sub>PO<sub>4</sub>(MoO<sub>4</sub>)<sub>2</sub>: A Promising NASICON-Type Electrode Material for Sodium-Ion Batteries.","ACS applied materials & interfaces","2021","13","41","48865","48871","10.1021/acsami.1c15010","","","0.71073","MoKα","","0.0549","0.0497","","","0.1342","0.1395","","","","","","1.071","","","","has coordinates","270225","2021-11-03","20:01:57",""
"4519087","27.177","0.004","27.177","0.004","11.273","0.002","90","","90","","120","","7211","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H12 N4 O5 Zn -","- C14 H12 N4 O5 Zn -","- C252 H216 N72 O90 Zn18 -","18","1","","Zhang, You; Wang, Juping; Zhao, Shuai; Serdechnova, Maria; Blawert, Carsten; Wang, Hao; Zheludkevich, Mikhail L.; Chen, Fei","Double-Ligand Strategy to Construct an Inhibitor-Loaded Zn-MOF and Its Corrosion Protection Ability for Aluminum Alloy 2A12.","ACS applied materials & interfaces","2021","13","43","51685","51694","10.1021/acsami.1c13738","","","0.71073","MoKα","","0.1121","0.0792","","","0.1214","0.1308","","","","","","1.13","","","","has coordinates","270226","2021-11-03","20:02:45",""
"4519088","54.739","0.009","5.6219","0.0008","36.439","0.006","90","","121.647","0.004","90","","9546","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C512 H384 N32 -","16","2","","Zhou, Pan-Ke; Zong, Lu-Lu; Song, Kai-Yue; Yang, Zhen-Cong; Li, Hao-Hong; Chen, Zhi-Rong","Embedding Azobenzol-Decorated Tetraphenylethylene into the Polymer Matrix to Implement a Ternary Memory Device with High Working Temperature/Humidity.","ACS applied materials & interfaces","2021","13","42","50350","50357","10.1021/acsami.1c14686","","x-ray","0.71073","MoKα","","0.2348","0.1272","","","0.3101","0.3748","","","","","","1.056","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4519089","3.8139","0.0002","24.994","0.003","14.5959","0.0008","90","","90","","90","","1391.3","0.2","100","0.1","100","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 Li O10 -","- C9 H5 F3 Fe3 Li O10 -","- C36 H20 F12 Fe12 Li4 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.2382","0.223","","","0.5019","0.5185","","","","","","2.396","","","","has coordinates","270228","2021-11-03","20:03:48",""
"4519090","3.811","0.0005","25.004","0.005","14.585","0.0013","90","","90","","90","","1389.8","0.4","100","0.1","100","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 O10 -","- C9 H5 F3 Fe3 O10 -","- C36 H20 F12 Fe12 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.205","0.1848","","","0.4317","0.45","","","","","","1.86","","","","has coordinates","270229","2021-11-03","20:04:21",""
"4519123","18.2471","0.001","26.9246","0.0015","21.8712","0.001","90","","112.775","0.002","90","","9907.4","0.9","210","2","210","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H61.72 Cl6 N35 O16 Zn -","- C66 H61.724 Cl6 N35 O16 Zn -","- C264 H246.896 Cl24 N140 O64 Zn4 -","4","1","","Shen, Hongqun; Liu, Chun; Zheng, Jun; Tao, Zhu; Nie, Haigen; Ni, Xin-Long","Cucurbit[8]uril-Assisted Nucleophilic Reaction: A Unique Supramolecular Approach for Cyanide Detection and Removal from Aqueous Solution.","ACS applied materials & interfaces","2021","13","46","55463","55469","10.1021/acsami.1c17666","","","0.71073","MoKα","","0.0882","0.064","","","0.1889","0.2027","","","","","","1.075","","","","has coordinates,has disorder","271007","2021-12-03","20:03:02",""
"4519124","10.0953","0.0005","7.4452","0.0003","24.3942","0.0011","90","","98.071","0.002","90","","1815.34","0.14","166","2","166.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1117","0.0651","","","0.16","0.1952","","","","","","0.979","","","","has coordinates","271008","2021-12-03","20:03:38",""
"4519125","8.1275","0.0009","18.887","0.002","21.237","0.003","90","","99.453","0.004","90","","3215.7","0.7","143.15","","143.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cu1.5 N3 O6 -","- C31 H20 Cu1.5 N3 O6 -","- C124 H80 Cu6 N12 O24 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1638","0.0693","","","0.2007","0.3191","","","","","","0.9352","","","","has coordinates","271009","2021-12-03","20:04:17",""
"4519126","9.832","0.0009","7.4081","0.0006","24.865","0.002","90","","94.101","0.003","90","","1806.4","0.3","300.15","","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F N O4 -","- C19 H22 F N O4 -","- C76 H88 F4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1427","0.0622","","","0.1511","0.1993","","","","","","1.015","","","","has coordinates","271010","2021-12-03","20:04:44",""
"4519127","10.116","0.013","7.483","0.009","24.57","0.04","90","","97.88","0.06","90","","1842","4","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.3129","0.1033","","","0.2417","0.3863","","","","","","0.93","","","","has coordinates","271011","2021-12-03","20:05:20",""
"4519128","9.6487","0.0003","7.3378","0.0002","24.1782","0.0009","90","","91.972","0.001","90","","1710.81","0.1","162.15","","162.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.0895","0.0526","","","0.1221","0.1555","","","","","","1.0796","","","","has coordinates","271012","2021-12-03","20:05:49",""
"4519129","10.1138","0.0007","7.5024","0.0005","24.5925","0.0017","90","","97.092","0.003","90","","1851.7","0.2","300","2","300.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1118","0.0618","","","0.1597","0.2019","","","","","","1.019","","","","has coordinates","271013","2021-12-03","20:06:20",""
"4519130","8.8163","0.0006","9.9332","0.0007","11.4002","0.0009","90","","95.616","0.003","90","","993.57","0.13","280","2","280.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.0742","0.0555","","","0.1403","0.1581","","","","","","1.002","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4519131","7.1525","0.0009","19.669","0.002","14.3443","0.0016","90","","90.578","0.007","90","","2017.9","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O6 S2 -","- C20 H18 N4 O6 S2 -","- C80 H72 N16 O24 S8 -","4","1","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0485","0.0425","","","0.106","0.1089","","","","","","1.061","","","","has coordinates","271015","2021-12-03","20:07:18",""
"4519132","15.2513","0.0008","13.8071","0.0008","20.4803","0.0012","90","","90","","90","","4312.7","0.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C160 H176 N32 O64 S16 -","8","1","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0885","0.0519","","","0.1162","0.1354","","","","","","1.058","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519133","7.144","0.003","18.382","0.007","8.54","0.003","90","","106.523","0.005","90","","1075.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0636","0.0532","","","0.1469","0.1539","","","","","","1.057","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519134","7.552","0.004","14.641","0.008","9.837","0.005","90","","90.74","0.009","90","","1087.6","1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0396","0.0323","","","0.0931","0.0976","","","","","","1.1","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519135","20.055","0.0008","12.6443","0.0005","52.3185","0.0019","90","","90","","90","","13267","0.9","190","2","190","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C72 N2 O6 S2 -","- C72 N2 O6 S2 -","- C576 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.128","0.0817","","","0.225","0.257","","","","","","1.047","","","","has coordinates","271016","2021-12-03","20:07:52",""
"4519136","12.66","0.003","20.017","0.004","52.343","0.01","90","","90","","90","","13265","5","190","2","190","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21.5 H21.5 N21.5 O21.5 S21.5 -","- C72 H71.088 N2 O6 S2 -","- C576 H568.704 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.0969","0.0534","","","0.1298","0.1476","","","","","","1.004","","","","has coordinates,has disorder","271017","2021-12-03","20:08:41",""
"4519137","6.8606","0.0002","10.2852","0.0003","12.7298","0.0004","85.7031","0.0008","87.599","0.0008","71.4424","0.0008","848.99","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H18.12 N2 O6.06 -","- C20 H18.119 N2 O6.0595 -","- C40 H36.238 N4 O12.119 -","2","2","","Kafle, Prapti; Sanghavi, Rishabh; Khasbaatar, Azzaya; Punjani, Samdisha; Davies, Daniel W.; Diao, Ying","Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.","ACS applied materials & interfaces","2021","13","47","56519","56529","10.1021/acsami.1c08398","","","0.71073","MoKα","","0.035","0.0326","","","0.0845","0.0864","","","","","","1.048","","","","has coordinates","271018","2021-12-03","20:09:12",""
"4519138","15.118","0.003","27.648","0.006","25.134","0.005","90","","90","","90","","10506","4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H28 N4 O16 Zr3 -","- C40 H28 N4 O16 Zr3 -","- C160 H112 N16 O64 Zr12 -","4","0.25","","Wang, Xiaoning; Zhang, Yan; Shi, Zhixiong; Lu, Tingting; Wang, Qiang; Li, Bao","Multifunctional Zr-MOF Based on Bisimidazole Tetracarboxylic Acid for pH Sensing and Photoreduction of Cr(VI).","ACS applied materials & interfaces","2021","13","45","54217","54226","10.1021/acsami.1c18130","","","0.71073","MoKα","","0.0737","0.0672","","","0.2113","0.2213","","","","","","1.129","","","","has coordinates","271019","2021-12-03","20:09:38",""
"4519194","14.0151","0.0004","9.5909","0.0003","9.1204","0.0003","90","","90","","90","","1225.94","0.07","99.97","0.18","99.97","0.18","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H K2 N7 O10 -","- C5 H K2 N7 O10 -","- C20 H4 K8 N28 O40 -","4","1","","Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.","Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.","ACS applied materials & interfaces","2021","13","51","61357","61364","10.1021/acsami.1c21510","","x-ray","0.71073","MoKα","","0.0362","0.033","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","271689","2022-01-03","20:09:07",""
"4519195","8.7988","0.0003","9.7297","0.0004","9.9474","0.0005","60.694","0.005","69.675","0.004","70.204","0.004","681.4","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N11 O10 -","- C5 H11 N11 O10 -","- C10 H22 N22 O20 -","2","1","","Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.","Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.","ACS applied materials & interfaces","2021","13","51","61357","61364","10.1021/acsami.1c21510","","x-ray","1.54184","CuKα","","0.0613","0.0589","","","0.1768","0.1787","","","","","","1.106","","","","has coordinates","271690","2022-01-03","20:09:32",""
"4519196","9.3836","0.0013","9.4619","0.0011","22.005","0.003","89.869","0.004","88.915","0.004","63.123","0.003","1742.3","0.4","192","2","192","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 F3 N O2 -","- C9 H16 F3 N O2 -","- C54 H96 F18 N6 O12 -","6","3","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.0646","0.0485","","","0.1232","0.137","","","","","","1.015","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519197","8.5395","0.0005","7.3054","0.0005","17.2626","0.0012","90","","96.494","0.002","90","","1070.01","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C36 H76 N4 O8 -","4","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.054","0.0443","","","0.1233","0.1324","","","","","","1.027","","","","has coordinates","271692","2022-01-03","20:10:18",""
"4519198","8.1072","0.0008","7.8957","0.0009","20.389","0.002","90","","90","","90","","1305.1","0.2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.0634","0.0515","","","0.1385","0.15","","","","","","1.063","","","","has coordinates","271693","2022-01-03","20:10:52",""
"4519199","27.644","","7.999","","8.166","","90","","90.37","","90","","1805.66","","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H48 Ag Br8 In N4 -","- C16 H44 Ag Br8 In N4 -","- C32 H88 Ag2 Br16 In2 N8 -","2","0.25","","Chen, Da; Niu, Guangda; Hao, Shiqiang; Fan, Liubing; Zhao, Jing; Wolverton, Christopher; Xia, Mengling; Liu, Quanlin","Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.","ACS applied materials & interfaces","2021","13","51","61447","61453","10.1021/acsami.1c20234","","","0.71069","MoKα","","0.0676","0.0517","","","0.1338","0.1435","","","","","","1.06","","","","has coordinates,has disorder","271694","2022-01-03","20:11:25",""
"4519200","11.34511","0.0001","11.51794","0.00011","17.21017","0.00017","107.002","0.0009","100.938","0.0008","90.5325","0.0007","2106.5","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Ag Br8 In N4 -","- C32 H48 Ag Br8 In N4 -","- C64 H96 Ag2 Br16 In2 N8 -","2","1","","Chen, Da; Niu, Guangda; Hao, Shiqiang; Fan, Liubing; Zhao, Jing; Wolverton, Christopher; Xia, Mengling; Liu, Quanlin","Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.","ACS applied materials & interfaces","2021","13","51","61447","61453","10.1021/acsami.1c20234","","","1.54184","CuKα","","0.0346","0.0334","","","0.0975","0.0987","","","","","","1.056","","","","has coordinates","271696","2022-01-03","20:11:53",""
"4519201","16.22","0.013","8.03","0.004","20.02","0.006","90","","94.4","0.2","90","","2600","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O12 -","- C36 H14 Bi2 O12 -","- C144 H56 Bi8 O48 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2115","0.1952","","","0.4108","0.4154","","","","","","2.567","","","","has coordinates","271697","2022-01-03","20:12:15",""
"4519202","16.49","0.006","7.84","0.011","20.95","0.06","90","","98.06","0.07","90","","2682","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O13 -","- C36 H14 Bi2 O13 -","- C144 H56 Bi8 O52 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2391","0.194","","","0.4195","0.4314","","","","","","2.23","","","","has coordinates","271698","2022-01-03","20:12:39",""
"4519203","16.49","0.007","7.76","0.003","20.65","0.02","90","","96.7","0.05","90","","2624","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H40 Bi4 O29 -","- C72 H40 Bi4 O29 -","- C144 H80 Bi8 O58 -","2","0.5","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2163","0.1882","","","0.4244","0.4307","","","","","","2.851","","","","has coordinates","271699","2022-01-03","20:13:01",""
"4519204","16.51","0.03","7.79","0.01","20.59","0.05","90","","97.1","0.2","90","","2628","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O14 -","- C36 H14 Bi2 O14 -","- C144 H56 Bi8 O56 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2636","0.1848","","","0.3977","0.4153","","","","","","2.195","","","","has coordinates","271700","2022-01-03","20:13:24",""
"4519205","20.7951","0.0006","20.7951","0.0006","93.704","0.006","90","","90","","120","","35092","3","200","2","200","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C57 H56 Cu4 I4 N22 O2 S6 -","- C56.9991 H55.9992 Cu4 I4 N21.9998 O1.9998 S6 -","- C683.989 H671.99 Cu48 I48 N263.998 O23.9976 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0844","0.0713","","","0.2151","0.2247","","","","","","1.07","","","","has coordinates,has disorder","271701","2022-01-03","20:14:02",""
"4519206","20.5","0.0003","20.5","0.0003","87.071","0.003","90","","90","","120","","31689.2","1.3","110","2","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C61.5 H58.5 Cu4 I4 N18.5 O7.5 S6 -","- C64.5 H78 Cu4 I4 N21.5 O4.5 S6 -","- C774 H936 Cu48 I48 N258 O54 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0836","0.0649","","","0.1954","0.2092","","","","","","1.13","","","","has coordinates,has disorder","271702","2022-01-03","20:15:21",""
"4519207","31.8746","0.0014","31.8746","0.0014","8.8989","0.0004","90","","90","","120","","7829.9","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H10 Ca N5 O3 -","- C9 H10 Ca N5 O3 -","- C162 H180 Ca18 N90 O54 -","18","1","","Wang, Gang-Ding; Li, Yong-Zhi; Zhang, Wan-Fang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Acetylene Separation by a Ca-MOF Containing Accessible Sites of Open Metal Centers and Organic Groups.","ACS applied materials & interfaces","2021","13","49","58862","58870","10.1021/acsami.1c20533","","","0.71073","MoKα","","0.1028","0.0955","","","0.2064","0.2092","","","","","","1.031","","","","has coordinates","271703","2022-01-03","20:15:51",""
"4519208","9.856","0.002","12.359","0.003","16.757","0.006","100.074","0.011","92.094","0.01","105.761","0.011","1926.5","0.9","214","2","214","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl4 F9 Ir N9 -","- C32 H25 Cl4 F9 Ir N9 -","- C64 H50 Cl8 F18 Ir2 N18 -","2","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0371","0.0315","","","0.0755","0.0789","","","","","","1.021","","","","has coordinates,has disorder","271704","2022-01-03","20:16:32",""
"4519209","10.799","0.003","20.957","0.007","17.573","0.003","90","","105.397","0.009","90","","3834.3","1.8","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 F18 Ir N9 -","- C33 H18 F18 Ir N9 -","- C132 H72 F72 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0472","0.0313","","","0.0668","0.0734","","","","","","1.021","","","","has coordinates,has disorder","271705","2022-01-03","20:16:59",""
"4519210","12.2678","0.0005","19.0655","0.0008","17.1115","0.0006","90","","106.503","0.001","90","","3837.4","0.3","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F18 Ir N9 -","- C33 H18 F18 Ir N9 -","- C132 H72 F72 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0371","0.0261","","","0.0631","0.0687","","","","","","1.047","","","","has coordinates,has disorder","271706","2022-01-03","20:17:23",""
"4519211","10.4994","0.0004","12.6662","0.0005","16.1742","0.0006","70.579","0.001","87.756","0.001","82.335","0.001","2010.42","0.13","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H30 Cl3 F9 Ir N9 O -","- C34.5 H30 Cl3 F9 Ir N9 O -","- C69 H60 Cl6 F18 Ir2 N18 O2 -","2","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0541","0.0443","","","0.126","0.1368","","","","","","1.016","","","","has coordinates","271707","2022-01-03","20:17:45",""
"4519212","12.4899","0.0004","17.3458","0.0006","14.1587","0.0005","90","","95.328","0.001","90","","3054.19","0.18","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 F9 Ir N9 -","- C30 H21 F9 Ir N9 -","- C120 H84 F36 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.038","0.0254","","","0.0443","0.0484","","","","","","1.027","","","","has coordinates","271708","2022-01-03","20:18:07",""
"4519213","17.4501","0.0006","15.8364","0.0005","15.8064","0.0005","90","","90","","90","","4368","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 Nd O10 -","- C18 H15 Nd O10 -","- C144 H120 Nd8 O80 -","8","1","","Cui, Ruixue; Sun, Wei; Liu, Meiying; Shi, Jing; Liu, Zhiliang","Near-Infrared Emissive Lanthanide Metal-Organic Frameworks for Targeted Biological Imaging and pH-Controlled Chemotherapy.","ACS applied materials & interfaces","2021","13","49","59164","59173","10.1021/acsami.1c20817","","","1.54178","CuKα","","0.0569","0.0492","","","0.1558","0.1643","","","","","","1.102","","","","has coordinates","271709","2022-01-03","20:18:30",""
"4519214","39.602","0.002","39.602","0.002","16.44","0.001","90","","90","","120","","22329","2","298","","298","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C100 H52 Br N O38.4 S Zr6 -","- C100 H52 Br N O38.408 S Zr6 -","- C300 H156 Br3 N3 O115.224 S3 Zr18 -","3","0.125","","Mercuri, Giorgio; Moroni, Marco; Galli, Simona; Tuci, Giulia; Giambastiani, Giuliano; Yan, Tongan; Liu, Dahuan; Rossin, Andrea","Temperature-Dependent Nitrous Oxide/Carbon Dioxide Preferential Adsorption in a Thiazolium-Functionalized NU-1000 Metal-Organic Framework.","ACS applied materials & interfaces","2021","13","49","58982","58993","10.1021/acsami.1c21437","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","271710","2022-01-03","20:19:00",""
"4519215","28.383","0.005","7.78","0.005","10.692","0.005","90","0.005","91.439","0.005","90","0.005","2360.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20.5 N2 O9.25 S2 -","- C24 H20 N2 O9.25 S2 -","- C96 H80 N8 O37 S8 -","4","1","","Mercuri, Giorgio; Moroni, Marco; Galli, Simona; Tuci, Giulia; Giambastiani, Giuliano; Yan, Tongan; Liu, Dahuan; Rossin, Andrea","Temperature-Dependent Nitrous Oxide/Carbon Dioxide Preferential Adsorption in a Thiazolium-Functionalized NU-1000 Metal-Organic Framework.","ACS applied materials & interfaces","2021","13","49","58982","58993","10.1021/acsami.1c21437","","","1.54184","CuKα","","0.1089","0.0612","","","0.132","0.1706","","","","","","1.091","","","","has coordinates","271711","2022-01-03","20:19:37",""
"4519216","18.1951","0.0007","18.1951","0.0007","26.7064","0.0016","90","","90","","90","","8841.5","0.7","293","","293","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Cd-H3TATB","","- C24 H13 Cd1.5 Cl0.5 N3 O6 -","- C24 H12 Cd1.5 Cl0.5 N3 O6 -","- C192 H96 Cd12 Cl4 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.149","0.0724","","","0.1449","0.1802","","","","","","0.929","","","","has coordinates","271712","2022-01-03","20:20:20",""
"4519217","17.976","0.003","17.976","0.003","26.415","0.003","90","","90","","90","","8536","2","120","","120","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Mn-TATB(Ru(bpy)3","","- C24 H12 Cl0.5 Mn1.5 N3 O6 -","- C24 H12 Cl0.5 Mn1.5 N3 O6 -","- C192 H96 Cl4 Mn12 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.2728","0.0959","","","0.1251","0.189","","","","","","0.817","","","","has coordinates","271713","2022-01-03","20:20:52",""
"4519218","8.8079","0.0002","10.0724","0.0003","15.1907","0.0004","90","","90","","90","","1347.67","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sfjyd","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.0845","0.0771","","","0.2101","0.2223","","","","","","1.053","","","","has coordinates","271714","2022-01-03","20:21:14",""
"4519219","17.958","0.0002","17.958","0.0002","26.0252","0.0005","90","","90","","90","","8392.9","0.2","120","","120","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Zn-TATB","","- C26 H18 Cl0.25 N4 O6 Zn1.5 -","- C26 H18 Cl0.25 N4 O6 Zn1.5 -","- C208 H144 Cl2 N32 O48 Zn12 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.066","0.054","","","0.1547","0.1633","","","","","","1.072","","","","has coordinates","271715","2022-01-03","20:21:38",""
"4519220","17.9001","0.0016","17.9001","0.0016","26.387","0.005","90","","90","","90","","8454.8","1.9","120","","120","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","Co-TATB","","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C192 H96 Cl2 Co12 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.1759","0.106","","","0.2465","0.2959","","","","","","0.977","","","","has coordinates","271716","2022-01-03","20:22:05",""
"4519344","6.5842","0.0009","11.023","0.0014","8.603","0.0012","90","","101.266","0.004","90","","612.35","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D.","Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2<i>,</i>6)- and (5<i>R</i>)-Methyl-(2<i>R,</i>6<i>R</i>)-hydroxynorketamines.","ACS chemical neuroscience","2022","13","4","510","523","10.1021/acschemneuro.1c00761","","x-ray","0.71073","MoKα","","0.0298","0.027","","","0.0617","0.0638","","","","","","1.033","","","","has coordinates","273251","2022-03-03","20:31:43",""
"5000008","5.077","","6.268","","5.38","","90","","113.2","","90","","157.36","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Iitaka, Y.","The crystal structure of β-glycine","Acta Crystallographica","1960","13","1","35","45","10.1107/S0365110X60000066","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000282","7.342","0.001","6.089","0.001","9.53","0.002","90","","97.58","0.01","90","","422.32","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O3 -","- C7 H15 N O3 -","- C14 H30 N2 O6 -","2","1","","Gandour, Richard David; Colucci, William Jay; Fronczek, Frank R.","Crystal structures of carnitine and acetylcarnitine zwitterions: A structural hypothesis for mode of action","Bioorganic Chemistry","1985","13","3","197","208","10.1016/0045-2068(85)90022-7","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:31",""
"6000373","6.0039","","6.0039","","15.8203","","90","","90","","120","","493.87","","","","","","","","","","","","","4","P 63 m c","","","","","","- Li Mo2 O8 Tl3 -","","","","","","Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.","Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)","Powder Diffraction","1998","13","","244","245","10.1017/S0885715600010186","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000374","6.0348","","6.0348","","15.8176","","90","","90","","120","","498.89","","","","","","","","","","","","","4","P 63 m c","","","","","","- Li O8 Tl3 W2 -","","","","","","Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.","Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)","Powder Diffraction","1998","13","","244","245","10.1017/S0885715600010186","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000417","5.52","","5.52","","13.987","","90","","90","","120","","369.09","","","","","","","","","","","","","3","R -3","","","","","","- F6 Nb V -","","","","","","Goubard, F.; Bizot, D.; Chassaing, J.","Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6","Powder Diffraction","1998","13","","132","133","10.1017/S0885715600009969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000418","5.5403","","5.5403","","8.453","","90","","90","","90","","259.46","","","","","","","","","","","","","3","I 4/m m m","","","","","","- Cr F6 Nb -","","","","","","Goubard, F.; Bizot, D.; Chassaing, J.","Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6","Powder Diffraction","1998","13","","132","133","10.1017/S0885715600009969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000419","10.6373","","10.6373","","4.1724","","90","","90","","120","","408.86","","","","","","","","","","","","","3","P -6","","","","","","- Ba7 Cl2 F12 -","","","","","","Es-Sakhi, B.; Gravereau, P.; Fouassier, C.","Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12","Powder Diffraction","1998","13","","152","156","10.1017/S0885715600010009","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000469","8.229","","9.739","","9.754","","60.74","","72.36","","84.67","","648.47","","","","","","","","","","","","","6","P -1","","","","","","- C7 H6 K8 N O11 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000470","11.552","","17.168","","8.719","","90","","130.64","","90","","1312.14","","","","","","","","","","","","","5","C 1 c 1","","","","","","- C9 H12 N2 O8 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000619","9.9641","","9.9641","","7.207","","90","","90","","120","","619.67","","","","","","","","","","","","","4","P 63/m","","","","","","- Br O12 P3 Sr5 -","","","","","","Notzold, D.; Wulff, H.","Determining the crystal structure of Sr-5(PO4)(3)Br, a new compound in the apatite series, by powder diffraction modeling","Powder Diffraction","1998","13","","70","73","10.1017/S088571560000988X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000620","14.4856","","14.4856","","14.4856","","90","","90","","90","","3039.55","","","","","","","","","","","","","4","I -4 3 d","","","","","","- Cu2 Mo9 O36 Th4 -","","","","","","Launay, S.; Quarton, M.","Crystal data for Cu2Th4(MoO4)(9) and isostructural compounds","Powder Diffraction","1998","13","","107","112","10.1017/S0885715600009945","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000744","7.6661","","9.6212","","7.0725","","90","","106.261","","90","","500.78","","","","","","","","","","","","","5","P 1 21/m 1","","","","","","- C H16 Co5 N6 O6.5 -","","","","","","Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O","Powder Diffraction","1998","13","","32","34","10.1017/S0885715600009726","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000745","10.5623","","22.7304","","7.5174","","90","","91.35","","90","","1804.32","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C H13 Co N5 O6.5 -","","","","","","Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O","Powder Diffraction","1998","13","","32","34","10.1017/S0885715600009726","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000779","13.069","","7.559","","6.2037","","90","","90","","90","","612.85","","","","","","","","","","","","","3","P n m a","","","","","","- Fe2 Ge Se4 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Fe2GeSe4","Powder Diffraction","1998","13","","196","201","10.1017/S0885715600010101","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000780","12.847","","7.407","","12.854","","90","","109.82","","90","","1150.7","","","","","","","","","","","","","3","C 1 c 1","","","","","","- Cd4 Ge Se6 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Cd4GeSe6","Powder Diffraction","1998","13","","202","209","10.1017/S0885715600010113","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7154021","6.0469","0.0002","9.1864","0.0003","9.4011","0.0003","110.41","0.002","96.98","0.002","92.353","0.002","483.85","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F N O -","- C11 H12 F N O -","- C22 H24 F2 N2 O2 -","2","1","","Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo","Short and efficient synthesis of fluorinated δ-lactams.","Organic & biomolecular chemistry","2015","13","3","717","728","10.1039/c4ob01547a","","","0.71073","MoKα","","0.0396","0.0349","","","0.0883","0.0921","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154133","10.084","0.002","10.408","0.002","26.571","0.006","90","","90","","90","","2788.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O -","- C32 H36 Cl N O -","- C128 H144 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0562","0.0531","","","0.1128","0.1149","","","","","","1.138","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154134","9.779","0.003","10.66","0.004","26.314","0.008","90","","90","","90","","2743.1","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4ge","","- C30 H40 Cl N O -","- C30 H40 Cl N O -","- C120 H160 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0445","0.0424","","","0.098","0.0991","","","","","","1.126","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154141","10.4383","0.0004","16.5706","0.0007","18.8976","0.0009","86.399","0.004","86.024","0.004","73.657","0.004","3125.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F6 I N3 O3.5 P -","- C29 H30 F6 I N3 O3.5 P -","- C116 H120 F24 I4 N12 O14 P4 -","4","2","","Brazier, John B.; Gibbs, Timothy J. K.; Rowley, Julian H.; Samulis, Leopold; Yau, Sze Chak; Kennedy, Alan R.; Platts, James A.; Tomkinson, Nicholas C. O.","Improving catalyst activity in secondary amine catalysed transformations.","Organic & biomolecular chemistry","2015","13","1","133","141","10.1039/c4ob01916d","","","1.5418","CuKα","","0.0735","0.0564","","","0.1354","0.1501","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154142","12.174","0.002","21.206","0.004","14.57","0.003","90","","92.65","0.03","90","","3757.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.25 H32.5 Cl0.5 F6 O6 -","- C43.25 H32.5 Cl0.5 F6 O6 -","- C173 H130 Cl2 F24 O24 -","4","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1068","0.0613","","","0.1365","0.159","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154143","10.53","0.002","13.602","0.003","13.65","0.003","65.69","0.03","80.28","0.03","81.84","0.03","1750.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O10 -","- C37 H40 N2 O10 -","- C74 H80 N4 O20 -","2","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1203","0.0494","","","0.0929","0.1116","","","","","","1.006","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154147","9.7902","0.0006","11.9074","0.0007","13.2668","0.0007","77.203","0.004","73.176","0.004","71.42","0.004","1388.92","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Br Cl2 N O6 S -","- C23 H34 Br Cl2 N O6 S -","- C46 H68 Br2 Cl4 N2 O12 S2 -","2","1","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0852","0.0743","","","0.2204","0.2331","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154148","8.3521","0.0003","14.3086","0.0006","23.7793","0.0007","90","","97.573","0.002","90","","2817","0.18","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H33 Br N3 O6 S -","- C28 H33 Br N3 O6 S -","- C112 H132 Br4 N12 O24 S4 -","4","2","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0624","0.0485","","","0.1467","0.1526","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154150","24.9085","0.0009","7.8916","0.0003","16.9244","0.0007","90","","98.392","0.002","90","","3291.2","0.2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","LCLT517B","","","- C27 H56 O6 Si3 -","- C27 H56 O6 Si3 -","- C108 H224 O24 Si12 -","4","1","","Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción","Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.","Organic & biomolecular chemistry","2015","13","3","706","716","10.1039/c4ob01782j","","x-ray","0.71073","MoKα","","0.0704","0.0483","","","0.0857","0.0958","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154158","6.5036","0.0006","12.9729","0.0011","17.9702","0.0016","90","","90","","90","","1516.2","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl2 N5 -","- C15 H11 Cl2 N5 -","- C60 H44 Cl8 N20 -","4","1","","Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao","Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.","Organic & biomolecular chemistry","2015","13","2","477","486","10.1039/c4ob01758g","","","0.71073","MoKα","","0.0424","0.034","","","0.0811","0.0847","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154161","8.921","0.004","10.42","0.02","15.804","0.008","81.48","0.09","73.79","0.04","87.26","0.09","1395","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 Cl6 N7 -","- C25 H17 Cl6 N7 -","- C50 H34 Cl12 N14 -","2","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MOKa","","0.2181","0.0475","","","0.1125","0.1555","","","","","","0.819","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154162","7.1928","0.0003","13.3215","0.0006","32.7007","0.0016","90","","90","","90","","3133.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z. Fan","","- C39 H26 Cl2 N2 O -","- C39 H26 Cl2 N2 O -","- C156 H104 Cl8 N8 O4 -","4","1","","Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao","Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.","Organic & biomolecular chemistry","2015","13","2","539","548","10.1039/c4ob02061h","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1151","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154163","9.9757","0.0003","5.76438","0.00017","22.7227","0.0007","90","","91.835","0.003","90","","1305.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.7107","MoKα","","0.0623","0.0484","","","0.1136","0.1209","","","","","","1.131","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154164","5.8434","0.0017","10.203","0.003","22.194","0.006","90","","94.84","0.005","90","","1318.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F N2 -","- C16 H13 F N2 -","- C64 H52 F4 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.71073","MoKα","","0.0514","0.0393","","","0.1023","0.1112","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154165","18.378","0.003","8.8145","0.0003","14.806","0.002","90","","130.63","0.03","90","","1820.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5-methyl-1H-inden-1-one","","- C20 H12 Cl4 O2 -","- C20 H12 Cl4 O2 -","- C80 H48 Cl16 O8 -","4","0.5","","Raveendra Babu, Kaki; Khan, Faiz Ahmed","A domino reaction of tetrahalo-7,7-dimethoxybicyclo[2.2.1]heptenyl alcohols leading to indenones and a de novo synthesis of ninhydrin derivatives.","Organic & biomolecular chemistry","2015","13","1","299","308","10.1039/c4ob01977f","","","1.54184","CuKα","","0.0559","0.0465","","","0.1308","0.1428","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154166","11.546","0.0002","12.36","0.0001","12.765","0.0002","101.747","0.001","113.392","0.002","95.129","0.001","1607.29","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B F10 P -","- C35 H26 B F10 P -","- C70 H52 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0448","0.0401","","","0.1025","0.1067","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154167","23.2576","0.0005","18.1844","0.0005","16.9234","0.0005","90","","111.378","0.002","90","","6664.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H23 B Cl F10 P -","- C37.5 H23 B Cl F10 P -","- C300 H184 B8 Cl8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0563","0.0515","","","0.1358","0.1402","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154168","22.3123","0.0003","15.8067","0.0002","23.2517","0.0004","90","","106.554","0.001","90","","7860.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 B F10 P -","- C41 H38 B F10 P -","- C328 H304 B8 F80 P8 -","8","2","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.117","0.0734","","","0.1616","0.1822","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154169","21.8974","0.0005","20.212","0.0005","20.4155","0.0007","90","","108.587","0.001","90","","8564.4","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 B F10 P -","- C43 H34 B F10 P -","- C344 H272 B8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0565","0.045","","","0.1235","0.1309","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154170","10.1386","0.0002","10.9523","0.0002","16.007","0.0004","94.704","0.001","90.06","0.001","104.481","0.002","1714.74","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 B F10 P -","- C38 H30 B F10 P -","- C76 H60 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.0557","0.0499","","","0.1236","0.1291","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154171","12.0744","0.0003","28.1047","0.0006","11.3117","0.0002","90","","99.395","0.001","90","","3787.11","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B F10 P -","- C40 H26 B F10 P -","- C160 H104 B4 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.091","0.0739","","","0.1972","0.2118","","","","","","1.063","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154172","20.771","0.0009","10.2846","0.0005","18.6572","0.0009","90","","120.235","0.004","90","","3443.4","0.3","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H28 B Cl2 F10 P -","- C36 H28 B Cl2 F10 P -","- C144 H112 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0678","0.0546","","","0.1256","0.1374","","","","","","1.052","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154173","16.2406","0.0005","10.2753","0.0003","21.4263","0.0008","90","","102.915","0.002","90","","3485.1","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 B Cl2 F10 P -","- C38 H24 B Cl2 F10 P -","- C152 H96 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0741","0.0504","","","0.1215","0.137","","","","","","1.037","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154174","8.6089","0.0017","8.8898","0.0018","15.632","0.003","98.35","0.03","96.13","0.03","104.16","0.03","1135","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H4.5 Cl0.25 F0.75 N0.5 O1.25 S0.5 -","- C20 H18 Cl F3 N2 O5 S2 -","- C40 H36 Cl2 F6 N4 O10 S4 -","2","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0794","","","0.2084","0.2177","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154175","13.927","0.003","10.771","0.002","24.361","0.005","90","","93.49","0.03","90","","3647.6","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F6 N2 O P -","- C18 H15 F6 N2 O P -","- C144 H120 F48 N16 O8 P8 -","8","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0491","","","0.1107","0.1165","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154176","15.338","0.003","10.04","0.002","14.189","0.003","90","","94.34","0.03","90","","2178.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O2 P S -","- C19 H19 F6 N2 O2 P S -","- C76 H76 F24 N8 O8 P4 S4 -","4","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0776","","","0.2007","0.2033","","","","","","1.172","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154177","10.516","0.003","16.68","0.004","27.091","0.006","90","","90","","90","","4752","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C248 H184 N8 O32 -","8","1","","Liu, Xiong-Li; Pan, Bo-Wen; Zhang, Wen-Hui; Yang, Chao; Yang, Jun; Shi, Yang; Feng, Ting-Ting; Zhou, Ying; Yuan, Wei-Cheng","A highly efficient and eco-friendly method for the synthesis of 1,3-indandione ring-fused 3-oxindoles bearing two contiguous quaternary stereocenters via an aldol reaction in aqueous media.","Organic & biomolecular chemistry","2015","13","2","601","611","10.1039/c4ob02103g","","","0.71073","MoKα","","0.0753","0.0513","","","0.1302","0.147","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154178","10.736","0.0003","15.9895","0.0003","11.2155","0.0003","90","","107.652","0.001","90","","1834.64","0.08","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0307","0.0291","","","0.0825","0.084","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154179","9.3912","0.0005","10.6576","0.0004","18.9928","0.0008","90","","94.82","0.002","90","","1894.22","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0326","0.0304","","","0.0832","0.0854","","","","","","0.998","","","","has coordinates,has disorder","301861","2025-08-22","11:12:22",""
"7154180","5.6153","0.0001","14.7482","0.0003","16.9257","0.0004","90","","90","","90","","1401.71","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-(-)-4,5-Dihydroxy-3-[(phenylhydrazyl)methyl]cyclopent-2-enone acetonide","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Łukasik, Beata; Mikołajczyk, Marian; Bujacz, Grzegorz; Żurawiński, Remigiusz","Synthesis and the absolute configuration of both enantiomers of 4,5-dihydroxy-3-(formyl)cyclopent-2-enone acetonide as a new chiral building block for prostanoid synthesis.","Organic & biomolecular chemistry","2015","13","3","807","816","10.1039/c4ob01535e","","","1.5418","CuKα","","0.0615","0.0566","","","0.1588","0.1745","","","","","","1.13","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154181","53.5172","0.0016","17.0124","0.0006","7.5768","0.0002","90","","90","","90","","6898.3","0.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-{2-[(2,4-Dimethylphenyl)amino]-5-[(2-hydroxyphenyl)carbonyl]furan-3-yl}ethan-1-one","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C336 H304 N16 O64 -","16","","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0575","0.0422","","","0.0819","0.0886","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154182","9.702","0.0002","6.8943","0.0001","16.0179","0.0003","90","","91.201","0.001","90","","1071.18","0.03","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(4-Chlorophenyl)-5-[(2-hydroxy-4-methoxyphenyl)carbonyl]-2-methylfuran-3-carboxamide * dimethylsulfoxide","","- C22 H22 Cl N O6 S -","- C22 H23 Cl N O6 S -","- C44 H46 Cl2 N2 O12 S2 -","2","0.5","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0465","0.0382","","","0.1038","0.1126","","","","","","1.025","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154183","4.9114","0.0004","9.9314","0.0007","36.687","0.003","90","","90","","90","","1789.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzoyl-2-(phenylamino)-9<i>H</i>-furo[3,2-<i>b</i>]chromen-9-one","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0937","0.048","","","0.0925","0.1105","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154191","14.6","0.003","15.398","0.003","15.703","0.004","99.409","0.01","90.878","0.012","117.283","0.009","3078.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H87 N9 O24.5 S3 -","- C48 H87 N9 O24.33 S3 -","- C96 H174 N18 O48.66 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; André, Vânia; Teresa Duarte, M.","Sulfate recognition by a hexaaza cryptand receptor.","Organic & biomolecular chemistry","2015","13","3","834","842","10.1039/c4ob02027h","","","0.71069","MoKα","","0.0781","0.0609","","","0.1799","0.1968","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154193","13.141","0.005","13.962","0.005","16.15","0.006","66.89","0.03","74.79","0.04","89.89","0.03","2612.8","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S2 -","- C28 H28 N2 O4 S2 -","- C112 H112 N8 O16 S8 -","4","2","","Tian, Yu; Wang, Yuanhao; Shang, Hai; Xu, Xudong; Tang, Yefeng","Rhodium(II)-catalyzed intramolecular formal [4 + 3] cycloadditions of dienyltriazoles: rapid access to fused 2,5-dihydroazepines.","Organic & biomolecular chemistry","2015","13","2","612","619","10.1039/c4ob01910e","","","0.71073","MoKα","","0.1566","0.0533","","","0.088","0.1148","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:22",""
"7154194","12.2471","0.0006","5.6271","0.0003","13.2223","0.0006","90","","112.39","0.002","90","","842.53","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","hydroxy(3-nitrophenyl)methyl)phosphinate","","","- C15 H19 N2 O5 P -","- C15 H19 N2 O5 P -","- C30 H38 N4 O10 P2 -","2","1","","Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.","Determination of the absolute configuration of phosphinic analogues of glutamate.","Organic & biomolecular chemistry","2015","13","4","1106","1112","10.1039/c4ob01960a","","","0.71073","MoKα","","0.0576","0.0351","","","0.087","0.1123","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154195","7.29191","0.00019","16.5352","0.0004","16.003","0.0004","90","","99.499","0.003","90","","1903.08","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 O12 -","- C42 H38 O12 -","- C84 H76 O24 -","2","1","","Huang, Xin; Fu, Chunling; Ma, Shengming","Palladium(0)-catalyzed synthesis of cyclic glucosides.","Organic & biomolecular chemistry","2015","13","1","248","251","10.1039/c4ob01975j","","","1.54184","CuKα","","0.0383","0.0354","","","0.0945","0.0981","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154196","17.158","0.003","6.001","0.0012","15.681","0.003","90","","90","","90","","1614.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Guo, Jiajia; Yu, Shouyun","Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.","Organic & biomolecular chemistry","2015","13","4","1179","1186","10.1039/c4ob02227k","","","0.71073","MoKα","","0.1486","0.0643","","","0.1009","0.1261","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154197","8.5989","0.0006","16.1254","0.0013","15.4619","0.001","90","","95.125","0.006","90","","2135.4","0.3","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl F2 N O2 -","- C25 H20 Cl F2 N O2 -","- C100 H80 Cl4 F8 N4 O8 -","4","1","","Urvashi, ?; Rastogi, Gaurav K.; Ginotra, Sandeep K.; Agarwal, Alka; Tandon, Vibha","An expedient approach to 1,2-dihydroisoquinoline derivatives via cobalt catalysed 6-endo dig cyclization followed by Mannich condensation of o-alkynylarylaldimines.","Organic & biomolecular chemistry","2015","13","4","1000","1007","10.1039/c4ob02036g","","","0.71073","MoKα","","0.0708","0.0504","","","0.1069","0.1168","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154198","9.6382","0.0007","12.519","0.0009","16.1542","0.0012","90","","101.439","0.002","90","","1910.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0483","0.0374","","","0.098","0.11","","","","","","1.15","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154199","5.518","0.002","26.082","0.01","8.581","0.005","90","","94.23","0.04","90","","1231.6","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0677","0.0522","","","0.14","0.1497","","","","","","1.144","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154200","17.6306","0.0004","6.5284","0.0002","18.1875","0.0004","90","","96.701","0.001","90","","2079.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl O5 -","- C21 H27 Cl O5 -","- C84 H108 Cl4 O20 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0484","0.0395","","","0.0988","0.1038","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154201","17.1143","0.0004","20.8803","0.0006","26.8416","0.0006","90","","90","","90","","9591.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hw_c_17_2","5","","- C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6 -","- C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6 -","- C280.608 H324.608 Cl61.824 F6 N48 O76 S24 -","4","1","","Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng","The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.","Organic & biomolecular chemistry","2015","13","3","672","676","10.1039/c4ob02232g","","","1.54178","CuKα","","0.1073","0.0677","","","0.1595","0.1828","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154202","15.3554","0.0006","5.1394","0.0003","19.8167","0.0011","90","0.005","110.249","0.003","90","0.004","1467.23","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 N2 S5 -","- C14 H6 N2 S5 -","- C56 H24 N8 S20 -","4","1","","Pop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; Hauser, Andreas; Avarvari, Narcis","Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivatives.","Organic & biomolecular chemistry","2015","13","4","1040","1047","10.1039/c4ob02100b","","","0.71073","MoKα","","0.0867","0.0424","","","0.0723","0.0844","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154203","6.2637","0.0004","9.6026","0.0006","11.1057","0.0008","78.235","0.004","81.016","0.004","74.565","0.004","626.68","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Fluorophenyl)-9<i>H</i>-pyrido[2,3-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C34 H22 F2 N4 -","2","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.1111","0.0596","","","0.1181","0.1387","","","","","","1.031","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154204","13.9224","0.0007","11.0347","0.0005","16.4227","0.0009","90","","94.077","0.002","90","","2516.6","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-Fluorophenyl)-5<i>H</i>-pyrido[3,2-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C136 H88 F8 N16 -","8","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.0769","0.0432","","","0.101","0.1155","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154205","7.3662","0.0015","12.232","0.002","12.351","0.003","72.49","0.03","75.1","0.03","88.58","0.03","1023.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 O -","- C25 H16 N4 O -","- C50 H32 N8 O2 -","2","1","","Zhu, Shifa; Huang, Xiaobing; Zhao, Tian-Qi; Ma, Tongmei; Jiang, Huanfeng","Metal-catalyzed formation of 1,3-cyclohexadienes: a catalyst-dependent reaction.","Organic & biomolecular chemistry","2015","13","4","1225","1233","10.1039/c4ob01922a","","","0.71073","MoKα","","0.1181","0.0419","","","0.112","0.1693","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154206","8.9089","0.0003","14.1642","0.0004","19.4386","0.0006","95.371","0.001","96.23","0.001","101.484","0.001","2372.84","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H55 N5 -","- C62 H55 N5 -","- C124 H110 N10 -","2","1","","Hernández-Alonso, D; Zankowski, S.; Adriaenssens, L.; Ballester, P.","Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies.","Organic & biomolecular chemistry","2015","13","4","1022","1029","10.1039/c4ob02108h","","","0.71073","MoKα","","0.0547","0.0452","","","0.1235","0.1357","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154207","12.2582","0.0011","16.6588","0.0013","20.6422","0.0017","90","","101.775","0.003","90","","4126.6","0.6","122","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H100 N12 O20 S6 -","- C66 H100 N12 O20 S6 -","- C132 H200 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Nielsen, Bjarne E.; Milhøj, Birgitte O; Sauer, Stephan P. A.; Pittelkow, Michael","Anion binding by biotin[6]uril in water.","Organic & biomolecular chemistry","2015","13","2","369","373","10.1039/c4ob02211d","","","0.71073","MoKα","","0.1368","0.0804","","","0.2055","0.2307","","","","","","0.969","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154208","19.221","0.003","19.221","0.003","26.996","0.004","90","","90","","90","","9974","3","123","2","123","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C113 H99 N9 O10 -","- C113 H99 N9 O10 -","- C452 H396 N36 O40 -","4","0.25","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.1074","0.0984","","","0.2778","0.2863","","","","","","1.072","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154209","25.752","0.006","14.426","0.003","19.859","0.005","90","","123.395","0.002","90","","6160","2","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H52 I4 O8 -","- C48 H52 I4 O8 -","- C192 H208 I16 O32 -","4","0.5","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.0628","0.0544","","","0.1477","0.1521","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154210","9.4466","0.0014","12.186","0.0018","18.704","0.003","90","","90","","90","","2153.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Alcaide, Benito; Almendros, Pedro; Aragoncillo, Cristina; Callejo, Ricardo; Pilar Ruiz, M.; Rosario Torres, M.","Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications.","Organic & biomolecular chemistry","2015","13","5","1387","1394","10.1039/c4ob02289k","","","0.71073","MoKα","","0.1557","0.0526","","","0.128","0.1747","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154211","16.611","0.0016","14.92","0.002","12.644","0.002","90","","111.924","0.008","90","","2907","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Br2 N6 O7 -","- C63 H66 Br2 N6 O7 -","- C126 H132 Br4 N12 O14 -","2","0.5","","Xu, Xiao-Liang; Yu, Chun-Lei; Chen, Wen; Li, Ying-Chao; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong","Synthesis and antitumor activity of novel 2-substituted indoline imidazolium salt derivatives.","Organic & biomolecular chemistry","2015","13","5","1550","1557","10.1039/c4ob02385d","","","0.71073","MoKα","","0.1348","0.057","","","0.1446","0.1858","","","","","","0.968","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154212","10.018","0.002","13.304","0.003","13.868","0.003","90","","105.637","0.003","90","","1779.9","0.7","293","","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O6 P -","- C16 H21 N2 O6 P -","- C64 H84 N8 O24 P4 -","4","1","","Ahamad, Shakir; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Domino reaction involving the Bestmann-Ohira reagent and α,β-unsaturated aldehydes: efficient synthesis of functionalized pyrazoles.","Organic & biomolecular chemistry","2015","13","5","1492","1499","10.1039/c4ob02365j","","","0.71075","MoKα","","0.0338","0.0301","","","0.0806","0.0827","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154213","7.1637","0.0007","26.057","0.003","11.5507","0.0011","90","","95.513","0.002","90","","2146.1","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Kamal, Ahmed; Rahim, Abdul; Riyaz, Sd; Poornachandra, Y.; Balakrishna, Moku; Kumar, C. Ganesh; Hussaini, Syed Mohammed Ali; Sridhar, B.; Machiraju, Pavan Kumar","Regioselective synthesis, antimicrobial evaluation and theoretical studies of 2-styryl quinolines.","Organic & biomolecular chemistry","2015","13","5","1347","1357","10.1039/c4ob02277g","","","0.71073","MoKα","","0.1018","0.0826","","","0.1581","0.1668","","","","","","1.25","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154214","14.5655","0.0005","8.3351","0.0003","26.0998","0.001","90","","90","","90","","3168.6","0.2","223.1","0.3","223.1","0.3","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","Thiaplakortone A hydrochoride dihydrate","","","- C12 H16 Cl N3 O6 S -","- C12 H16 Cl N3 O6 S -","- C96 H128 Cl8 N24 O48 S8 -","8","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0682","0.0516","","","0.114","0.1221","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154215","10.0722","0.0006","24.9481","0.0018","7.5588","0.0005","90","","99.053","0.006","90","","1875.7","0.2","199.9","0.3","199.9","0.3","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Thiaplakortone A Propylamide DMSO","","","- C17 H21 N3 O6 S2 -","- C17 H21 N3 O6 S2 -","- C68 H84 N12 O24 S8 -","4","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0854","0.0534","","","0.1063","0.1246","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154216","9.019","0.005","9.387","0.005","9.84","0.005","103.834","0.01","111.51","0.011","104.812","0.011","696.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 B F2 N2 S -","- C15 H11 B F2 N2 S -","- C30 H22 B2 F4 N4 S2 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0747","0.0462","","","0.1386","0.1609","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154217","9.144","0.004","9.856","0.004","11.616","0.004","83.242","0.006","75.289","0.006","68.965","0.007","944.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S2 -","- C21 H15 B F2 N2 S2 -","- C42 H30 B2 F4 N4 S4 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.068","0.041","","","0.1088","0.1382","","","","","","0.747","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154218","9.462","0.003","12.722","0.004","20.648","0.006","90","","99.442","0.006","90","","2451.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 N2 S3 -","- C27 H19 B F2 N2 S3 -","- C108 H76 B4 F8 N8 S12 -","4","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0858","0.0547","","","0.1616","0.1857","","","","","","1.164","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154219","9.751","0.005","18.905","0.005","16.646","0.005","90","0.005","92.408","0.005","90","0.005","3066","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","","Saunthwal, Rakesh K.; Patel, Monika; Danodia, Abhinandan K.; Verma, Akhilesh K.","Pd-catalyzed Heck-conjoined amidation and concomitant chemoselective Michael-addition: an efficient tandem approach to highly functionalized tetrahydroquinazolines from o-haloanilines.","Organic & biomolecular chemistry","2015","13","5","1521","1530","10.1039/c4ob02286f","","","0.71073","MoKα","","0.0602","0.0418","","","0.0958","0.1018","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154220","9.095","0.004","11.415","0.004","17.22","0.006","90","","90","","90","","1787.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Cheng, Jin-Tang; Chen, Xiang-Yu; Ye, Song","N-heterocyclic carbene-catalyzed cyclocondensation of 2-aryl carboxylic acids and enones: highly enantioselective synthesis of δ-lactones.","Organic & biomolecular chemistry","2015","13","5","1313","1316","10.1039/c4ob02330g","","","1.54187","CuKα","","0.0392","0.029","","","0.0634","0.074","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154221","25.278","0.0011","7.9874","0.0003","14.5933","0.0005","90","","94.398","0.004","90","","2937.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O1.5 P -","- C17 H18 O1.5 P -","- C136 H144 O12 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0588","0.0437","","","0.094","0.1023","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154222","9.0477","0.0002","17.5321","0.0004","9.9229","0.0002","90","","93.056","0.002","90","","1571.78","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O P -","- C20 H21 O P -","- C80 H84 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0465","0.0385","","","0.0954","0.1021","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154223","20.4116","0.0008","10.1465","0.0004","15.7185","0.0008","90","","108.406","0.005","90","","3088.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br O P -","- C17 H16 Br O P -","- C136 H128 Br8 O8 P8 -","8","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0743","0.0461","","","0.1061","0.1234","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154224","11.56214","0.0001","11.41592","0.0001","21.7492","0.0002","90","","100.089","0.0009","90","","2826.34","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 P2 -","- C34 H32 O2 P2 -","- C136 H128 O8 P8 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0431","0.0382","","","0.0891","0.0929","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154225","35.515","0.002","14.5644","0.0007","5.7956","0.0004","90","","90","","90","","2997.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 O2 P -","- C17 H19 O2 P -","- C136 H152 O16 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0804","0.0679","","","0.1723","0.1799","","","","","","1.122","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154226","8.32","0.0004","8.3517","0.0005","11.5876","0.0006","96.038","0.004","90.854","0.004","100.324","0.005","787.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Br O2 P -","- C17 H18 Br O2 P -","- C34 H36 Br2 O4 P2 -","2","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0319","0.0262","","","0.0569","0.059","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154227","9.58114","0.00014","17.273","0.0002","11.63272","0.00016","90","","98.4889","0.0014","90","","1904.07","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O2 P -","- C23 H23 O2 P -","- C92 H92 O8 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0363","0.0335","","","0.0868","0.0892","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154228","10.8596","0.0004","17.6855","0.0006","18.0481","0.0007","63.547","0.004","75.76","0.003","89.15","0.003","2990","0.2","58","60","58","60","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 O4.5 P2 -","- C34 H37 O4.5 P2 -","- C136 H148 O18 P8 -","4","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.71073","MoKα","","0.0665","0.048","","","0.1151","0.1257","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154229","17.3691","0.0011","11.8081","0.0008","17.9776","0.0013","90","","118.401","0.001","90","","3243.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Cl N12 S2 -","- C27 H45 Cl N12 S2 -","- C108 H180 Cl4 N48 S8 -","4","1","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.0378","0.0314","","","0.0816","0.0854","","","","","","1.047","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154230","10.391","0.002","16.944","0.004","18.9","0.004","107.255","0.002","90.906","0.002","96.74","0.002","3151.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl N12 O0.5 S2 -","- C26 H35 Cl N12 O0.5 S2 -","- C104 H140 Cl4 N48 O2 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.6889","Synchrotron","","0.1459","0.0832","","","0.2143","0.2721","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154231","10.1456","0.0007","15.6738","0.0011","19.0361","0.0013","91.48","0.005","97.78","0.005","94.128","0.005","2989.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl N13 S2 -","- C25 H36 Cl N13 S2 -","- C100 H144 Cl4 N52 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.1201","0.0797","","","0.2159","0.2484","","","","","","1.025","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154232","12.002","0.0009","14.6553","0.001","15.1609","0.0013","79.909","0.006","70.047","0.007","81.089","0.006","2454.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Cl6 N6 Ni S -","- C56 H36 Cl6 N6 Ni S -","- C112 H72 Cl12 N12 Ni2 S2 -","2","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0964","0.0844","","","0.2479","0.2611","","","","","","1.021","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154233","13.3636","0.0013","29.0621","0.0018","12.7286","0.0011","90","","116.573","0.012","90","","4421.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Cl3 N6 Ni S -","- C54 H33 Cl3 N6 Ni S -","- C216 H132 Cl12 N24 Ni4 S4 -","4","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0894","0.0776","","","0.1907","0.1978","","","","","","1.141","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154234","7.4058","0.0006","12.3833","0.0012","18.9412","0.0018","90","","90","","90","","1737.1","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.04","0.0352","","","0.0934","0.0978","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154235","7.8797","0.0017","12.465","0.003","25.404","0.004","90","","90","","90","","2495.2","0.9","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C100 H116 Br4 N8 O16 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.0794","0.047","","","0.0948","0.1078","","","","","","0.989","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154236","10.0269","0.0003","11.0127","0.0003","19.1212","0.0005","100.996","0.002","90.025","0.002","90.667","0.001","2072.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","2","","Priya, Gowri; Kotmale, Amol S.; Chakravarty, Debamitra; Puranik, Vedavati G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational modulation of peptides using β-amino benzenesulfonic acid ((S)Ant).","Organic & biomolecular chemistry","2015","13","7","2087","2091","10.1039/c4ob02421d","","","0.71073","MoKα","","0.0487","0.036","","","0.0829","0.0893","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154237","5.83","0.003","9.556","0.004","31.119","0.014","90","","90","","90","","1733.7","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","1","","Jana, Anupam; Mondal, Sujit; Ghosh, Subrata","Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.","Organic & biomolecular chemistry","2015","13","6","1846","1859","10.1039/c4ob02182g","","","0.71073","MoKα","","0.1106","0.0596","","","0.1321","0.1866","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154238","26.4067","0.0019","8.6803","0.0006","13.9116","0.001","90","","97.632","0.003","90","","3160.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Xie, Yuanwei; Que, Yonglei; Li, Tuanjie; Zhu, Ling; Yu, Chenxia; Yao, Changsheng","N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole.","Organic & biomolecular chemistry","2015","13","6","1829","1835","10.1039/c4ob01706d","","","0.71073","MoKα","","0.0498","0.0422","","","0.1178","0.1292","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154239","8.1644","0.0009","10.198","0.0011","21.107","0.002","90","","101.151","0.001","90","","1724.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Mao, Dan; Tang, Jun; Wang, Wenbo; Liu, Xin; Wu, Shengying; Yu, Jianjun; Wang, Limin","A Sc(OTf)3-catalyzed cascade reaction of o-aminoacetophenone with methanamine: construction of dibenzo[b,h][1,6]naphthyridine derivatives.","Organic & biomolecular chemistry","2015","13","7","2122","2128","10.1039/c4ob02220c","","","0.71073","MoKα","","0.07","0.0557","","","0.1587","0.1697","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154240","7.5151","0.0002","8.3328","0.0002","13.0372","0.0004","88.341","0.002","76.984","0.002","67.407","0.001","732.89","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)malonate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","","Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.","A microwave-assisted multicomponent synthesis of substituted 3,4-dihydroquinazolinones.","Organic & biomolecular chemistry","2015","13","7","2044","2054","10.1039/c4ob02417f","","","0.71073","MoKα","","0.055","0.0447","","","0.1104","0.1175","","","","","","1.029","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154241","8.8818","0.0003","16.2625","0.0006","26.4923","0.0009","97.863","0.003","90.585","0.003","105.42","0.003","3649.8","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C128 H142 Au6 Cl4 N18 O30 P6 -","2","1","","Moro, Artur J.; Rome, Bertrand; Aguiló, Elisabet; Arcau, Julià; Puttreddy, Rakesh; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura","A coumarin based gold(i)-alkynyl complex: a new class of supramolecular hydrogelators.","Organic & biomolecular chemistry","2015","13","7","2026","2033","10.1039/c4ob02077d","","x-ray","1.54184","CuKα","","0.0492","0.0415","","","0.11","0.114","","","","","","1.036","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154242","18.306","0.004","5.603","0.0011","16.578","0.003","90","","101.41","0.03","90","","1666.8","0.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(Z)-4-(1-Fluoro-2-phenylprop-1-en-1-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole","","- C20 H20 F N3 -","- C20 H20 F N3 -","- C80 H80 F4 N12 -","4","1","","Kumar, Rakesh; Singh, Govindra; Todaro, Louis J.; Yang, Lijia; Zajc, Barbara","E- or Z-Selective synthesis of 4-fluorovinyl-1,2,3-triazoles with fluorinated second-generation Julia-Kocienski reagents.","Organic & biomolecular chemistry","2015","13","5","1536","1549","10.1039/c4ob02179g","","","0.71073","MoKα","","0.1243","0.061","","","0.1177","0.1395","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154243","11.6216","0.0006","20.8276","0.0009","11.8949","0.0007","90","","96.3419","0.0017","90","","2861.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1',1''-dimethyl-4'-(4-methylphenyl)-5''-[(4-methylphenyl)methylidene]-dispiro[3H-indole-3,2'-pyrrolidine-3',3''-piperidine]-2(1H),4''-dione","","- C32 H32 Cl N3 O2 -","- C32 H32 Cl N3 O2 -","- C128 H128 Cl4 N12 O8 -","4","1","","Girgis, Adel S.; Panda, Siva S.; Farag, I. S. Ahmed; El-Shabiny, A M; Moustafa, A. M.; Ismail, Nasser S. M.; Pillai, Girinath G.; Panda, Chandramukhi S.; Hall, C. Dennis; Katritzky, Alan R.","Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids.","Organic & biomolecular chemistry","2015","13","6","1741","1753","10.1039/c4ob02149e","","","0.71073","MoKα","","0.3533","0.0685","","0.2459","0.1331","0.1331","","","","","","1.0301","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154244","10.7927","0.0007","11.6842","0.0008","12.384","0.001","81.436","0.005","87.887","0.005","69.366","0.005","1444.99","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","Mo-Kα","","0.151","0.051","","0.239","","0.07","","","4.197","","","1.161","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154245","9.8087","0.0018","6.9137","0.0012","20.582","0.004","90","","97.156","0.005","90","","1384.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.1575","0.0588","","","0.1137","0.1432","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154246","7.8484","0.0002","19.3484","0.0004","17.9841","0.0004","90","","93.426","0.001","90","","2726.08","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.0873","0.0598","","","0.1616","0.1829","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154247","14.1867","0.0012","12.1288","0.001","34.654","0.003","90","0.004","92.316","0.004","90","0.004","5958","0.9","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H40.5 N2.5 O4.5 S -","- C30 H40.5 N2.5 O4.5 S -","- C240 H324 N20 O36 S8 -","8","2","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.064","","","","0.239","","","","","","0.92","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154248","27.834","0.01","8.119","0.003","8.839","0.003","90","","90","","90","","1997.5","1.2","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0692","","","","0.1792","","","","","","1.124","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154249","10.077","0.003","14.486","0.005","12.738","0.004","90","","91.567","0.009","90","","1858.7","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl N O2 -","- C21 H24 Cl N O2 -","- C84 H96 Cl4 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0557","","","","0.148","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154250","13.7407","0.0018","15.432","0.002","24.564","0.003","90","","90","","90","","5208.7","1.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H30 O9 -","- C28 H30 O9 -","- C224 H240 O72 -","8","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.1189","0.0756","","","0.201","0.2417","","","","","","0.792","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154251","10.9061","0.0008","13.3097","0.001","21.2966","0.0015","90","","90.467","0.001","90","","3091.2","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O12 -","- C32 H36 O12 -","- C128 H144 O48 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0683","0.0523","","","0.1332","0.1444","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154252","13.2799","0.0012","15.4053","0.0014","26.172","0.003","90","","100.352","0.002","90","","5267.1","0.9","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 O7.5 -","- C27 H26 O7.5 -","- C216 H208 O60 -","8","2","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0974","0.058","","","0.1406","0.1623","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154253","11.5941","0.0013","10.9801","0.0012","23.784","0.002","90","","112.074","0.006","90","","2805.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O10 -","- C30 H34 O10 -","- C120 H136 O40 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0912","0.0862","","","0.0952","0.0957","","","","","","2.77","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154254","9.2888","0.0002","6.043","0.0001","27.8317","0.0006","90","","90","","90","","1562.26","0.05","150","2","150.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0321","0.0309","","","0.082","0.0833","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154255","27.3686","0.0006","6.32664","0.00013","8.74746","0.00017","90","","90","","90","","1514.63","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0346","0.0343","","","0.0913","0.0915","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154256","5.3351","0.0003","10.0384","0.0005","15.6306","0.0009","106.562","0.005","98.033","0.005","95.518","0.004","786.31","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.54184","CuKα","","0.0444","0.042","","","0.1158","0.1183","","","","","","1.049","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154257","7.4735","0.0006","23.4154","0.0011","7.4325","0.0007","90","","102.242","0.003","90","","1271.07","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Xuan, Jun; Pan, Saiyong; Zhang, Yuanbao; Ye, Bin; Ding, Hanfeng","Construction of the tricyclic core of steenkrotin-type diterpenoids via intramolecular [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2015","13","6","1643","1646","10.1039/c4ob02439g","","","0.71073","MoKα","","0.0661","0.062","","","0.1505","0.1543","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154258","20.294","0.003","6.4701","0.0008","15.4757","0.0017","90","","96.306","0.004","90","","2019.7","0.4","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 O5 S -","- C23 H28 O5 S -","- C92 H112 O20 S4 -","4","1","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0768","0.0598","","","0.1608","0.172","","","","","","1.17","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154259","10.4931","0.0008","11.5171","0.001","28.284","0.002","90","","91.379","0.004","90","","3417.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 O12 S3 -","- C29 H42 O12 S3 -","- C116 H168 O48 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0843","0.0605","","","0.1574","0.1826","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154260","5.227","0.0006","25.122","0.003","16.5667","0.0018","90","","99.08","","90","","2148.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 S3 -","- C17 H24 O10 S3 -","- C68 H96 O40 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0896","0.0674","","","0.1116","0.1632","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154261","15.814","0.004","14.779","0.003","21.657","0.005","90","","96.603","0.004","90","","5028","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N2 O24 -","- C84 H90 N2 O24 -","- C168 H180 N4 O48 -","2","0.5","","Zeng, Fei; Chen, Chuan-Feng","Synthesis of a novel water-soluble cylindrical macrotricyclic host and its complexation with N-methylquinolinium and N-methylisoquinolinium salts: formation of 1 : 2 complexes in water.","Organic & biomolecular chemistry","2015","13","7","1988","1991","10.1039/c4ob02533d","","","0.71073","MoKα","","0.1401","0.1131","","","0.287","0.3004","","","","","","1.622","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154262","7.536","0.0015","15.774","0.003","14.325","0.003","90","","101.14","0.03","90","","1670.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Kumar, Tarun; Verma, Deepti; Menna-Barreto, Rubem F S; Valença, Wagner O; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of imidazoles via cascade reaction of nitroallylic acetates with amidines and studies on their trypanocidal activity.","Organic & biomolecular chemistry","2015","13","7","1996","2000","10.1039/c4ob02561j","","","0.71073","MoKα","","0.114","0.0727","","","0.1632","0.2026","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154263","5.5082","0.0017","10.112","0.002","11.961","0.002","66.024","0.017","83.58","0.03","78.23","0.02","595.6","0.3","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 N O6 S -","- C27 H25 N O6 S -","- C27 H25 N O6 S -","1","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","0.71075","MoKα","","0.0445","0.042","","","0.0936","0.0958","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154264","12.537","0.003","8.0131","0.0015","12.749","0.004","90","","111.21","0.007","90","","1194","0.5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 S -","- C26 H23 N O6 S -","- C52 H46 N2 O12 S2 -","2","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","1.54187","CuKα","","0.0492","0.0466","","","0.1152","0.1166","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154265","10.418","0.006","14.443","0.007","17.001","0.008","90","","90.66","0.04","90","","2558","2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 B2 Li2 N2 O8 S2 -","- C46 H72 B2 Li2 N2 O8 S2 -","- C92 H144 B4 Li4 N4 O16 S4 -","2","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.7107","MoKα","","0.1114","0.0522","","","0.1198","0.14","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154266","7.2904","0.0003","10.5177","0.0004","31.1288","0.001","90","","90","","90","","2386.9","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PNP Pincer Pd","PN tBuMePdCl2","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2.003 N P2 Pd -","- C68 H124 Cl8.012 N4 P8 Pd4 -","4","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","0.71073","MoKα","","0.0593","0.0531","","","0.1625","0.1701","","","","","","1.143","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154267","10.9708","0.0004","8.8036","0.0003","11.9111","0.0005","90","","101.686","0.004","90","","1126.56","0.08","171.4","","171.4","","","","","","","","","5","P 1 n 1","P -2yac","7","5o","5o","","- C27 H29 N O2 S -","- C27 H29 N O2 S -","- C54 H58 N2 O4 S2 -","2","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","1.54184","CuKα","","0.0565","0.0517","","","0.1351","0.1417","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154268","8.778","0.005","27.635","0.005","7.797","0.005","90","","105.261","0.005","90","","1824.7","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-4-(9H-carbazol-9-yl)-N'-hydroxybenzimidamide","zzq0923","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Gu, Mei; Li, Yi; Wen, Jun; Yu, Hai-Zhu; Hu, Sheng; Wang, Xiaolin","""One-pot"" synthesis of amidoxime via Pd-catalyzed cyanation and amidoximation.","Organic & biomolecular chemistry","2015","13","9","2541","2545","10.1039/c4ob02456g","","","0.71073","MoKα","","0.0952","0.0729","","","0.1903","0.1987","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154269","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154270","11.0752","0.0003","10.8473","0.0002","18.1152","0.0004","90","","103.625","0.002","90","","2115.04","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0868","0.0447","","","0.0997","0.1184","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154271","10.3767","0.0004","10.8064","0.0004","15.0426","0.0005","75.845","0.002","76.824","0.002","62.065","0.002","1432.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S -","- C32 H36 N2 O4 S -","- C64 H72 N4 O8 S2 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0545","0.0448","","","0.119","0.1289","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154272","9.2474","0.0015","21.492","0.003","8.1455","0.0013","90","","93.323","0.003","90","","1616.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 7-Methylene-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0444","0.0339","","","0.0859","0.0959","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154273","10.7866","0.0018","14.366","0.002","13.573","0.002","90","","111.734","0.003","90","","1953.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 7-(2-Ethoxy-2-oxoethylene)-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0676","0.0376","","","0.0853","0.1058","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154274","6.046","0.006","10.17","0.02","24.25","0.02","90","","90","","90","","1491","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.","Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.","Organic & biomolecular chemistry","2015","13","9","2546","2549","10.1039/c4ob02601b","","","0.71073","MoKα","","0.0712","0.0459","","","0.1114","0.1227","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154275","14.9779","0.0006","15.1104","0.0006","23.1992","0.0008","86.107","0.002","81.276","0.002","67.781","0.002","4804.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H48 Cl2 N14 O6 -","- C46 H48 Cl2 N14 O6 -","- C184 H192 Cl8 N56 O24 -","4","4","","Santos, Miguel M.; Marques, Igor; Carvalho, Sílvia; Moiteiro, Cristina; Félix, Vítor","Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties.","Organic & biomolecular chemistry","2015","13","10","3070","3085","10.1039/c4ob02283a","","","0.71073","MoKα","","0.0886","0.0606","","","0.1366","0.1507","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154276","19.9112","0.0005","4.5568","0.0002","21.2328","0.0006","90","","97.948","0.002","90","","1907.97","0.11","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-6-amino-8-(4-methoxystyryl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile","","- C20.5 H17 Cl N2 O4 -","- C20.5 H17 Cl N2 O4 -","- C82 H68 Cl4 N8 O16 -","4","2","","Adili, Alafate; Tao, Zhong-Lin; Chen, Dian-Feng; Han, Zhi-Yong","Quinine-catalyzed highly enantioselective cycloannulation of o-quinone methides with malononitrile.","Organic & biomolecular chemistry","2015","13","8","2247","2250","10.1039/c4ob02602k","","","1.54184","CuKα","","0.0562","0.0484","","","0.1371","0.1466","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154277","11.4383","0.0013","11.6596","0.0015","9.4849","0.0012","90","","104.523","0.003","90","","1224.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O2 S -","- C14 H11 F O2 S -","- C56 H44 F4 O8 S4 -","4","1","","Malwal, Satish R.; Chakrapani, Harinath","Benzosulfones as photochemically activated sulfur dioxide (SO2) donors.","Organic & biomolecular chemistry","2015","13","8","2399","2406","10.1039/c4ob02466d","","","0.71073","MoKα","","0.0422","0.0341","","","0.0999","0.1042","","","","","","1.491","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154278","5.5351","0.0006","11.2034","0.0012","21.678","0.002","90","","90","","90","","1344.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F N2 O6 -","- C12 H13 F N2 O6 -","- C48 H52 F4 N8 O24 -","4","1","","Kwiatkowski, Jacek; Lu, Yixin","Asymmetric Michael addition of α-fluoro-α-nitro esters to nitroolefins: towards synthesis of α-fluoro-α-substituted amino acids.","Organic & biomolecular chemistry","2015","13","8","2350","2359","10.1039/c4ob02486a","","","1.54178","CuKα","","0.0253","0.025","","","0.0655","0.0658","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154279","8.1432","0.0016","15.506","0.003","19.315","0.004","90","","99.992","0.003","90","","2401.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Nagaraju, Vemu; Purnachander, Dalovai; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Reaction of β-enaminones and acetylene dicarboxylates: synthesis of substituted 1,2-dihydropyridinones.","Organic & biomolecular chemistry","2015","13","10","3011","3023","10.1039/c4ob01578a","","","0.71073","MoKα","","0.0865","0.0604","","","0.1685","0.1855","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154280","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154281","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154282","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154283","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154284","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154285","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154286","29.9748","0.0004","29.9748","0.0004","29.9748","0.0004","90","","90","","90","","26932","0.6","119.8","0.6","120","","","","","","","","","4","I 2 3","I 2 2 3","197","","gamma-cyclodextrin duplex","","- C48 H78 O86.066 S2 -","- C48 H78 O86.1087 S2 -","- C576 H936 O1033.3 S24 -","12","0.5","","Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš","A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes.","Organic & biomolecular chemistry","2015","13","10","2980","2985","10.1039/c4ob02464h","","x-ray","1.54184","CuKα","","0.15","0.1089","","","0.2348","0.249","","","","3.34","3.34","2.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154287","9.5097","0.0004","10.4987","0.0004","19.3484","0.0007","90","","96.431","0.002","90","","1919.58","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I N2 O2 -","- C22 H15 I N2 O2 -","- C88 H60 I4 N8 O8 -","4","1","","Bharathiraja, Ganesan; Sengoden, Mani; Kannan, Masanam; Punniyamurthy, Tharmalingam","Expedient synthesis of tetrasubstituted pyrroles via a copper-catalyzed cascade inter-/intramolecular cyclization of 1,3-enynes carry a nitro group with amines.","Organic & biomolecular chemistry","2015","13","9","2786","2792","10.1039/c4ob02508c","","","0.71073","MoKα","","0.0561","0.0378","","","0.1179","0.1328","","","","","","0.914","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154288","12.1483","0.0004","13.9559","0.0004","13.7585","0.0004","90","","90.921","0.002","90","","2332.32","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,5R*)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate","","- C25 H29 N O7 -","- C24.195 H26.235 N O6.77 -","- C96.78 H104.94 N4 O27.08 -","4","1","","Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.","Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.","Organic & biomolecular chemistry","2015","13","9","2640","2651","10.1039/c4ob02454k","","","0.71073","MoKα","","0.0812","0.0418","","","0.089","0.0964","","","","","","0.891","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154289","6.7186","0.0002","15.8096","0.0005","26.5176","0.0007","90","","90","","90","","2816.66","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br N4 O5 S -","- C27 H33 Br N4 O5 S -","- C108 H132 Br4 N16 O20 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.1125","0.0698","","","0.1008","0.1124","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154290","18.6244","0.0011","8.4267","0.0004","16.0611","0.0008","90","","93.118","0.005","90","","2516.9","0.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N4 O6 S2 -","- C21 H32 N4 O6 S2 -","- C84 H128 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0474","0.043","","","0.1128","0.1171","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154291","8.106","0.0012","10.5928","0.0016","14.983","0.002","90","","96.273","0.008","90","","1278.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Br N4 O6 S2 -","- C23 H27 Br N4 O6 S2 -","- C46 H54 Br2 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0599","0.0355","","","0.0799","0.0875","","","","","","0.993","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154292","9.5896","0.0002","14.7665","0.0003","14.7848","0.0003","90","","90","","90","","2093.6","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0363","0.0346","","","0.0895","0.0908","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154293","7.7425","0.0004","10.0108","0.0006","13.8284","0.0008","90","","102.033","0.003","90","","1048.27","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C34 H52 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0364","0.0317","","","0.0785","0.0819","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154294","9.2942","0.001","13.9119","0.0013","15.3096","0.0017","90","","90","","90","","1979.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0868","0.0432","","","0.0801","0.0926","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154295","7.1146","0.0003","8.0387","0.0003","15.0865","0.0006","90.323","0.002","100.054","0.002","109.252","0.002","800.21","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C28 H40 N4 O10 S2 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0441","0.0386","","","0.1109","0.1169","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154296","6.0244","0.0004","11.844","0.0009","13.27","0.0013","93.58","0.02","94.51","0.02","94.85","0.05","938.26","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 F O2 -","- C25 H21 F O2 -","- C50 H42 F2 O4 -","2","2","","da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo","Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.","Organic & biomolecular chemistry","2015","13","11","3280","3287","10.1039/c4ob02611j","","","0.71073","MoKα","","0.0916","0.0788","","","0.2235","0.2343","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154297","10.1672","0.0017","6.8153","0.0014","22.813","0.005","90","","93.975","0.007","90","","1577","0.5","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C60 H84 N12 O24 -","4","1","","Ingemar Olsen, Jacob; Sauer, Stephan P. A.; Marcus Pedersen, Christian; Bols, Mikael","Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?","Organic & biomolecular chemistry","2015","13","10","3116","3121","10.1039/c4ob02630f","","","0.71073","MoKα","","0.0919","0.0461","","","0.0861","0.1019","","","","","","1.0504","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154298","6.1948","0.0003","10.9643","0.0005","11.253","0.0005","110.753","0.002","98.248","0.002","103.002","0.003","675.19","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C24 H30 Cl2 N4 O2 S2 -","2","1","","Brockmeyer, Fabian; Morosow, Valentin; Martens, Jürgen","A new multicomponent reaction: unexpected formation of derivatizable cyclic α-alkoxy isothioureas.","Organic & biomolecular chemistry","2015","13","11","3341","3346","10.1039/c4ob02608j","","","0.71073","MoKα","","0.0781","0.0508","","","0.1131","0.1253","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154299","7.9458","0.0003","12.8313","0.0005","27.3563","0.0012","101.325","0.004","93.68","0.003","101.932","0.003","2659.71","0.19","132","2","132","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 B10 O -","- C20 H48 B10 O -","- C80 H192 B40 O4 -","4","2","","Boggio, Paolo; Toppino, Antonio; Geninatti Crich, Simonetta; Alberti, Diego; Marabello, Domenica; Medana, Claudio; Prandi, Cristina; Venturello, Paolo; Aime, Silvio; Deagostino, Annamaria","The hydroboration reaction as a key for a straightforward synthesis of new MRI-NCT agents.","Organic & biomolecular chemistry","2015","13","11","3288","3297","10.1039/c4ob02291b","","","1.5418","CuKα","","0.0778","0.0534","","","0.1322","0.149","","","","","","1.026","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154300","11.644","0.003","14.685","0.002","11.1346","0.0019","90","","91.878","0.012","90","","1902.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-4H-furo[3,2-c]chromen-4-one","4c","","- C24 H13 Cl O5 -","- C24 H13 Cl O5 -","- C96 H52 Cl4 O20 -","4","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.1312","0.0676","","","0.1595","0.211","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154301","17.409","0.003","11.222","0.002","21.848","0.004","90","","90","","90","","4268.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(2-(2-Hydroxy-5-methylbenzoyl)-8-methyl-4-oxo-4H-furo[3,2-c]chromen-3-yl)benzonitrile","5c","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.0732","0.0493","","","0.128","0.1485","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154302","9.6625","0.0002","23.9818","0.0006","10.8059","0.0002","90","","115.753","0.0007","90","","2255.29","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N5 O -","- C26 H22 Br N5 O -","- C104 H88 Br4 N20 O4 -","4","1","","Kamlar, M.; Císařová, I; Veselý, J","Alkynylation of heterocyclic compounds using hypervalent iodine reagent.","Organic & biomolecular chemistry","2015","13","10","2884","2889","10.1039/c4ob02625j","","","0.71073","MoKα","","0.0701","0.0498","","","0.117","0.1257","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154303","23.59","0.003","12.9016","0.0015","18.644","0.002","90","","98.267","0.002","90","","5615.3","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-1H-inden-3-yl dicyclohexylphosphine","","- C35 H37 P -","- C35 H37 P -","- C280 H296 P8 -","8","1","","Chen, You; Peng, Hui; Pi, Yun-Xiao; Meng, Tong; Lian, Ze-Yu; Yan, Meng-Qi; Liu, Yan; Liu, Sheng-Hua; Yu, Guang-Ao","Efficient phosphine ligands for the one-pot palladium-catalyzed borylation/Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2015","13","11","3236","3242","10.1039/c4ob02436b","","","0.71073","MoKα","","0.0681","0.047","","","0.1279","0.1494","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154304","15.1668","0.0006","14.7772","0.0007","12.7612","0.0006","90","","90","","90","","2860.1","0.2","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C66 H70 N2 O4 S4 -","- C66 H70 N2 O4 S4 -","- C132 H140 N4 O8 S8 -","2","0.5","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko","The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.","Organic & biomolecular chemistry","2015","13","11","3476","3483","10.1039/c4ob02393e","","","0.6525","synchrotron","","0.0386","0.0371","","","0.0993","0.1012","","","","","","1.031","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154305","8.932","0.005","11.791","0.005","11.668","0.005","90","0.005","99.317","0.005","90","0.005","1212.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 O2 -","- C11 H8 Cl4 O2 -","- C44 H32 Cl16 O8 -","4","1","","Nageswara Rao, Chintada; Ahmed Khan, Faiz","BF3-Et2O mediated skeletal rearrangements of norbornyl appended cyclopentanediols.","Organic & biomolecular chemistry","2015","13","9","2768","2775","10.1039/c4ob02423k","","","0.71069","MoKα","","0.0657","0.0321","","","0.0809","0.0853","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154306","4.1231","0.0013","16.176","0.005","10.044","0.003","90","","94.086","0.007","90","","668.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Qiu, Jing-Wen; Hu, Bo-Lun; Zhang, Xing-Guo; Tang, Ri-Yuan; Zhong, Ping; Li, Jin-Heng","Copper-catalyzed ring expansion of 2-aminobenzothiazoles with alkynyl carboxylic acids to 1,4-benzothiazines.","Organic & biomolecular chemistry","2015","13","10","3122","3127","10.1039/c4ob02467b","","","0.71073","MoKα","","0.0755","0.0746","","","0.1705","0.1711","","","","","","1.265","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154307","26.7092","0.0014","9.0357","0.0004","17.2708","0.0009","90","","90","","90","","4168.1","0.4","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C53 H46 B2 N2 O3 -","- C53 H46 B2 N2 O3 -","- C212 H184 B8 N8 O12 -","4","0.5","","Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.","Organic & biomolecular chemistry","2015","13","11","3268","3279","10.1039/c4ob02545h","","","0.71073","MoKα","","0.093","0.0685","","0.1695","0.149","0.1694","","","","","","0.9995","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154308","27.206","0.005","6.873","0.005","10.231","0.005","90","0.005","92.155","0.005","90","0.005","1911.7","1.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Vidyasagar, Adiyala; Sureshan, Kana M.","Total syntheses of five uvacalols: structural validation of uvacalol A, uvacalol B and uvacalol C and disproval of the structures of uvacalol E and uvacalol G.","Organic & biomolecular chemistry","2015","13","13","3900","3910","10.1039/c4ob02663b","","","0.71073","MoKα","","0.038","0.0326","","","0.0939","0.1254","","","","","","1.194","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154309","19.1472","0.0017","5.7177","0.0005","22.9157","0.0019","90","","98.01","0.005","90","","2484.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromobenzoic acid 2-Ethoxycarbonyl-2-[3-methylene-1-(toluene-4-sulfonyl)-piperidin-4-yl]-ethyl ester","","- C25 H28 Br N O6 S -","- C25 H28 Br N O6 S -","- C100 H112 Br4 N4 O24 S4 -","4","1","","Pathak, Ravindra B.; Dobson, Benjamin C.; Ghosh, Nandita; Ageel, Khalid A.; Alshawish, Madeha R.; Saruengkhanphasit, Rungroj; Coldham, Iain","Synthesis of the tricyclic core of manzamine A.","Organic & biomolecular chemistry","2015","13","11","3331","3340","10.1039/c4ob02582b","","","0.71073","MoKα","","0.1169","0.044","","","0.0751","0.0951","","","","","","0.992","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154310","5.561","","6.229","","16.499","","90","","90","","90","","571.517","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0948","0.0553","","","0.1257","0.1425","","","","","","0.907","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154311","14.054","0.001","11.4353","0.0006","21.489","0.001","90","","90","","90","","3453.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F4 N2 O P -","- C17 H13 F4 N2 O P -","- C136 H104 F32 N16 O8 P8 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0992","0.0612","","","0.1561","0.1785","","","","","","0.989","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154312","23.325","0.004","6.6111","0.0011","17.954","0.003","90","","98.023","0.015","90","","2741.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F4 N3 O2 -","- C13 H9 F4 N3 O2 -","- C104 H72 F32 N24 O16 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1829","0.0614","","","0.1365","0.1769","","","","","","0.825","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154313","9.031","0.0009","22.7184","0.0015","5.5619","0.0004","90","","99.42","0.007","90","","1125.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F4 N2 O2 -","- C9 H10 F4 N2 O2 -","- C36 H40 F16 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1632","0.0545","","","0.1339","0.1713","","","","","","0.825","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154314","9.2697","0.0008","5.3382","0.0005","10.8156","0.0008","90","","96.537","0.007","90","","531.71","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F2 N O2 -","- C4 H5 F2 N O2 -","- C16 H20 F8 N4 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.068","0.0496","","","0.1336","0.1524","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154315","5.7282","0.0006","7.9911","0.0008","23.674","0.003","90","","92.336","0.01","90","","1082.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.111","0.0829","","","0.2092","0.2286","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154316","6.464","0.0004","20.721","0.003","5.7018","0.0006","90","","97.017","0.007","90","","757.98","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O5 -","- C7 H7 N O5 -","- C28 H28 N4 O20 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0487","0.0353","","","0.0838","0.0897","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154317","10.567","0.0007","20.0282","0.0012","6.842","0.0005","90","","95.652","0.002","90","","1440.99","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-6-methylindolo[1,2-<i>f</i>]phenanthridine","","- C21 H14 F N -","- C21 H14 F N -","- C84 H56 F4 N4 -","4","1","","Ngo, Thang Ngoc; Ehlers, Peter; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Synthesis of indolo[1,2-f]phenanthridines by Pd-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions.","Organic & biomolecular chemistry","2015","13","11","3321","3330","10.1039/c5ob00013k","","","0.71073","MoKα","","0.0674","0.0518","","","0.1216","0.1292","","","","","","1.095","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154318","12.04","0.004","11.834","0.003","17.361","0.005","90","","105.585","0.005","90","","2382.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F6 N2 O2 -","- C27 H24 F6 N2 O2 -","- C108 H96 F24 N8 O8 -","4","1","","Cheng, Hong-Bo; Huang, Yao-Dong; Zhao, Lina; Li, Xu; Wu, Hai-Chen","A prominent bathochromic shift effect of indole-containing diarylethene derivatives.","Organic & biomolecular chemistry","2015","13","11","3470","3475","10.1039/c4ob02619e","","","0.71073","MoKα","","0.0468","0.0384","","","0.096","0.1008","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154319","11.085","0.003","11.91","0.003","15.798","0.004","90","","103.025","0.018","90","","2032","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C42 H39 Br N3 O3 S -","- C42 H39 Br N3 O6 S -","- C84 H78 Br2 N6 O12 S2 -","2","1","","Chen, Jian-Ping; Chen, Wen-Wen; Li, Yi; Xu, Ming-Hua","A highly diastereoselective Friedel-Crafts reaction of indoles with isatin-derived N-sulfinyl ketimines towards the efficient synthesis of chiral tetrasubstituted 3-indolyl-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","11","3363","3370","10.1039/c5ob00063g","","","0.71073","MoKα","","0.1925","0.0992","","","0.2484","0.333","","","","","","0.956","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154320","8.0644","0.0006","11.5331","0.001","8.2552","0.0008","90","","95.154","0.005","90","","764.69","0.11","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O4 S -","- C14 H16 Br N O4 S -","- C28 H32 Br2 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0264","0.026","","","0.0656","0.0659","","","","","","1.166","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154321","8.079","0.002","11.113","0.003","18.417","0.005","90","","90","","90","","1653.5","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N4 O4 S -","- C14 H15 Br N4 O4 S -","- C56 H60 Br4 N16 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.024","0.0235","","","0.0567","0.0569","","","","","","1.091","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154322","8.1106","0.0016","15.869","0.003","13.458","0.003","90","","105.33","0.03","90","","1670.5","0.6","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0536","0.0481","","","0.0998","0.1043","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154323","10.9","0.002","17.232","0.003","8.4931","0.0016","90","","90","","90","","1595.2","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0296","0.0288","","","0.0716","0.0722","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154324","7.714","0.002","8.924","0.003","11.423","0.003","76.922","0.012","75.224","0.012","74.066","0.012","720.7","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0472","0.0454","","","0.1185","0.1198","","","","","","1.161","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154325","10.036","0.002","7.3432","0.0015","10.826","0.002","90","","111.23","0.03","90","","743.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C26 H42 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0278","0.0274","","","0.0668","0.0671","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154326","5.6597","0.0012","15.69","0.003","24.567","0.005","90","","90","","90","","2181.6","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O5 S2 -","- C20 H24 Br N O5 S2 -","- C80 H96 Br4 N4 O20 S8 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0546","0.0474","","","0.078","0.0809","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154327","8.116","0.002","14.954","0.005","13.474","0.004","90","","92.642","0.003","90","","1633.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0339","0.0324","","","0.0726","0.0735","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154328","7.963","0.002","11.336","0.003","20.402","0.005","90","","90","","90","","1841.7","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C76 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0326","0.0308","","","0.0611","0.062","","","","","","1.123","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154329","34.802","0.002","8.7586","0.0005","22.5029","0.0016","90","","120.418","0.009","90","","5915.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H81 N3 O12 -","- C64 H81 N3 O12 -","- C256 H324 N12 O48 -","4","1","","Ear, Alexandre; Amand, Séverine; Blanchard, Florent; Blond, Alain; Dubost, Lionel; Buisson, Didier; Nay, Bastien","Direct biosynthetic cyclization of a distorted paracyclophane highlighted by double isotopic labelling of l-tyrosine.","Organic & biomolecular chemistry","2015","13","12","3662","3666","10.1039/c5ob00114e","","","1.54187","CuKα","","0.0927","0.0658","","","0.1511","0.1897","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154330","14.222","0.005","8.925","0.005","25.35","0.005","90","0.005","90","0.005","90","0.005","3218","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N3 S -","- C17 H14 F3 N3 S -","- C136 H112 F24 N24 S8 -","8","1","","Zhu, Jiayi; Chen, Yu; Lin, Feng; Wang, Baoshuang; Chen, Zhengwang; Liu, Liangxian","NiSO4-catalyzed C-H activation/C-S cross-coupling of 1,2,3-triazole N-oxides with thiols.","Organic & biomolecular chemistry","2015","13","12","3711","3720","10.1039/c4ob02586e","","","0.71069","MoKα","","0.0677","0.0444","","","0.1188","0.1327","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154331","6.68948","0.00007","14.04389","0.00015","7.22458","0.00009","90","","93.875","0.0011","90","","677.171","0.013","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","azepinomycin","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C24 H32 N16 O8 -","4","1","","Coggins, Adam J.; Tocher, Derek A.; Powner, Matthew W.","One-step protecting-group-free synthesis of azepinomycin in water.","Organic & biomolecular chemistry","2015","13","11","3378","3381","10.1039/c5ob00210a","","","1.5418","CuKα","","0.0389","0.0383","","","0.1004","0.1007","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154332","10.9506","0.0005","19.9674","0.0009","15.2675","0.0009","90","","110.711","0.002","90","","3122.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H14 B F19 N2 -","- C33 H14 B F19 N2 -","- C132 H56 B4 F76 N8 -","4","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0719","0.0605","","","0.1506","0.1592","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154333","7.3337","0.0012","9.9719","0.0016","10.128","0.0016","93.269","0.005","99.21","0.005","110.524","0.004","679.57","0.19","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","1","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0646","0.0637","","","0.1738","0.1747","","","","","","1.095","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154334","11.7456","0.0002","13.5528","0.0003","13.0646","0.0009","90","","90","","90","","2079.7","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Br N3 O -","- C26 H18 Br N3 O -","- C104 H72 Br4 N12 O4 -","4","1","","Fang, Fang; Hua, Genghong; Shi, Feng; Li, Pengfei","Organocatalytic enantioselective Friedel-Crafts reaction: an efficient access to chiral isoindolo-β-carboline derivatives.","Organic & biomolecular chemistry","2015","13","15","4395","4398","10.1039/c5ob00175g","","","1.54187","CuKα","","0.0421","0.0362","","","0.0882","0.0967","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154335","5.414","0.006","20.283","0.019","18.171","0.017","90","","92.881","0.019","90","","1993","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C88 H80 Br4 N4 O16 -","4","1","","Jose, Anu; Jayakrishnan, A. J.; Seetha Lakshmi, K. C.; Varughese, Sunil; Nair, Vijay","Phosphine-mediated reaction of 3-methyl allenoate and isatins: a protocol for the synthesis of spirofuran oxindoles.","Organic & biomolecular chemistry","2015","13","12","3589","3592","10.1039/c5ob00123d","","","0.71073","MoKα","","0.0848","0.0685","","","0.1854","0.2142","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154336","20.0272","0.0004","10.57393","0.00019","10.07746","0.00017","90","","90","","90","","2134.07","0.07","150","2","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","4-cis-trifluoromethylproline N-acetyl methyl ester","methyl (2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate","","- C9 H12 F3 N O3 -","- C9 H12 F3 N O3 -","- C72 H96 F24 N8 O24 -","8","1","","Kubyshkin, Vladimir; Afonin, Sergii; Kara, Sezgin; Budisa, Nediljko; Mykhailiuk, Pavel K.; Ulrich, Anne S.","γ-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.","Organic & biomolecular chemistry","2015","13","11","3171","3181","10.1039/c5ob00034c","","x-ray","1.54184","CuKα","","0.0379","0.0341","","","0.0864","0.0895","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154337","3.8783","0.0005","11.1617","0.0014","15.3358","0.0019","78.727","0.002","85.961","0.002","86.336","0.002","648.58","0.14","150","2","150","2","","","","","","","Synthesis","4","P -1","-P 1","2","","ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Mohan, Darapaneni Chandra; Ravi, Chitrakar; Rao, Sadu Nageswara; Adimurthy, Subbarayappa","Copper-mediated synthesis of pyrazolo[1,5-a]pyridines through oxidative linkage of C-C/N-N bonds.","Organic & biomolecular chemistry","2015","13","12","3556","3560","10.1039/c5ob00018a","","","0.71073","MoKα","","0.0597","0.0545","","","0.1075","0.1098","","","","","","1.183","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154338","9.8145","0.0008","10.0842","0.0006","11.3461","0.0007","97.195","0.005","91.225","0.006","113.239","0.007","1020.62","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","3-(Hexylamino)-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H26 B F2 N3 O -","- C22 H26 B F2 N3 O -","- C44 H52 B2 F4 N6 O2 -","2","1","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0902","0.0504","","","0.0951","0.1157","","","","","","1.033","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154339","15.3219","0.0004","17.3301","0.0004","17.5462","0.0005","90","","110.858","0.003","90","","4353.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","3-(Hexylamino)-6-iodo-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H25 B F2 I N3 O -","- C22 H25 B F2 I N3 O -","- C176 H200 B8 F16 I8 N24 O8 -","8","4","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0483","0.0323","","","0.0602","0.0674","","","","","","1.057","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154340","10.2882","0.0001","10.0834","0.0001","17.6278","0.0002","90","","100.173","0.0004","90","","1799.96","0.03","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(cyclohexylidenemethyl)-3,3-diphenyldihydrofuran-2(3H)-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","1.54178","CuKα","","0.0349","0.0345","","","0.0841","0.0844","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154341","7.1469","0.0005","15.303","0.001","16.4534","0.001","73.124","0.001","89.797","0.001","88.864","0.001","1721.7","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-4-phenyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalen-9-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.1345","0.0626","","","0.1199","0.16","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154342","9.7954","0.0004","9.8427","0.0004","11.0909","0.0005","78.548","0.002","77.234","0.002","64.389","0.003","933.94","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-methoxy-4-phenyl-4,5,5a,6,6a,7,8,9,10,10a-decahydroacephenanthrylene- 4-carboxylic acid","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.0472","0.0431","","","0.1193","0.1243","","","","","","0.993","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154343","6.021","0.002","16.358","0.006","16.457","0.006","90","","96.874","0.004","90","","1609.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Hou, Lekai; Chen, Xiangxiang; Li, Shuang; Cai, Suxian; Zhao, Yanxia; Sun, Meng; Yang, Xiao-Juan","Palladium-catalyzed regio-selective oxidative C-H bond acylation of azoxybenzenes with alcohols.","Organic & biomolecular chemistry","2015","13","14","4160","4164","10.1039/c5ob00089k","","","0.71073","MoKα","","0.0797","0.0532","","","0.1464","0.1676","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154344","22.3006","0.0018","22.3364","0.0018","36.666","0.003","91.732","0.001","92.554","0.001","111.906","0.001","16907","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Na2[CB@ac](ac).16H2O","","- C62 H74 N12 Na4 O40 S4 -","- C61.9999 H73.9998 N12 Na3.97775 O39.9022 S4 -","- C495.999 H591.999 N96 Na31.822 O319.218 S32 -","8","4","","Gilberg, Laura; Zhang, Ben; Zavalij, Peter Y.; Sindelar, Vladimir; Isaacs, Lyle","Acyclic cucurbit[n]uril-type molecular containers: influence of glycoluril oligomer length on their function as solubilizing agents.","Organic & biomolecular chemistry","2015","13","13","4041","4050","10.1039/c5ob00184f","","","0.71073","MoKα","","0.1519","0.1228","","","0.2293","0.2422","","","","","","1.386","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154345","10.903","0.004","8.978","0.003","13.171","0.005","90","","108.452","0.012","90","","1223","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh","Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","20","5629","5635","10.1039/c5ob00182j","","","0.71073","MoKα","","0.1339","0.0702","","","0.167","0.2062","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154346","9.4408","0.0017","25.506","0.005","8.066","0.0015","90","","95.641","0.004","90","","1932.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Xiang, Jiachen; Wang, Jungang; Wang, Miao; Meng, Xianggao; Wu, Anxin","One-pot total synthesis of streptindole, arsindoline B and their congeners through tandem decarboxylative deaminative dual-coupling reaction of amino acids with indoles.","Organic & biomolecular chemistry","2015","13","14","4240","4247","10.1039/c5ob00025d","","","0.71073","MoKα","","0.0871","0.0476","","","0.1148","0.1367","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154347","28.938","0.006","11.193","0.002","16.37","0.003","90","","108.12","0.03","90","","5039.3","1.9","173","","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.0838","0.0557","","","0.1347","0.1556","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154348","14.183","0.003","11.422","0.002","17.031","0.003","90","","111.93","0.03","90","","2559.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.1549","0.0972","","","0.2368","0.3344","","","","","","1.118","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154349","12.5161","0.001","14.0082","0.0011","27.051","0.002","90","","90","","90","","4742.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F3 N2 O3 -","- C12 H9 F3 N2 O3 -","- C192 H144 F48 N32 O48 -","16","2","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0778","0.0665","","","0.1543","0.1646","","","","","","1.209","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154350","6.7929","0.0001","9.5186","0.0002","10.322","0.0002","102.643","0.003","91.759","0.003","104.107","0.003","629.09","0.02","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0528","0.0507","","","0.1256","0.1275","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154351","14.7611","0.0003","4.6408","0.0003","17.1279","0.0003","90","","90.424","0.002","90","","1173.29","0.08","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I N3 O4 -","- C10 H8 I N3 O4 -","- C40 H32 I4 N12 O16 -","4","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0384","0.032","","","0.0742","0.0774","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154352","6.3391","0.0012","7.7064","0.0015","12.819","0.002","93.164","0.006","102.778","0.006","113.261","0.006","553.93","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.1213","0.0889","","","0.2074","0.2298","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154353","10.5513","0.0006","13.4479","0.0007","21.737","0.0012","90","","90","","90","","3084.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,4R,4'S,5'S)-tert-butyl 4',5'-diphenyl-3-(phenylsulfonyl)-3,4-dihydro-1H-spiro[1,4-epiminonaphthalene-2,2'-[1,3]dioxolane]-9-carboxylate","","- C35 H33 N O6 S -","- C35 H33 N O6 S -","- C140 H132 N4 O24 S4 -","4","1","","Pandey, Ganesh; Varkhedkar, Rajesh; Tiwari, Divya","Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template.","Organic & biomolecular chemistry","2015","13","15","4438","4448","10.1039/c5ob00229j","","","0.71073","MoKα","","0.0743","0.0485","","","0.083","0.0916","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154354","13.228","0.005","9.602","0.003","17.978","0.006","90","","97.418","0.007","90","","2264.4","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.054","0.038","","","0.0781","0.0833","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154355","8.8803","0.0018","11.094","0.002","11.201","0.002","79.42","0.03","79.41","0.03","77.65","0.03","1047.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.0889","0.0476","","","0.1089","0.127","","","","","","0.997","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154356","15.5903","0.0004","18.0794","0.0005","25.8875","0.0008","90","","90","","90","","7296.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MACROCYCLE STRUCTURE 26","","","- C69 H74 N12 O7 -","- C69 H74 N12 O7 -","- C276 H296 N48 O28 -","4","1","","Chavez-Acevedo, Lizbeth; Miranda, Luis D.","Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.","Organic & biomolecular chemistry","2015","13","15","4408","4412","10.1039/c5ob00067j","","","0.71073","MoKα","","0.1778","0.0757","","","0.1597","0.2051","","","","","","0.964","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154357","9.8957","0.0003","23.4982","0.0007","8.5844","0.0003","90","","103.811","0.002","90","","1938.43","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-(<i>tert</i>-Butyl)phenyl)-10-methyl-5,10-dihydroindolo[3,2-b]indole","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MoKα","","0.0971","0.0507","","","0.1115","0.1326","","","","","","1.027","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154358","18.304","0.005","4.5035","0.0012","21.714","0.006","90","","95.318","0.003","90","","1782.2","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 I O5 -","- C19 H19 I O5 -","- C76 H76 I4 O20 -","4","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.71073","MoKα","","0.0506","0.0393","","","0.1136","0.1261","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154359","15.139","0.003","10.0225","0.0018","30.107","0.006","90","","103.866","0.003","90","","4435","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Br N2 O3 -","- C24 H25 Br N2 O3 -","- C192 H200 Br8 N16 O24 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Shannon, Jonathan; Tocher, Derek A.","Stereoselective synthesis of 1,2-diamine containing indolines by a conjugate addition nitro-Mannich reaction.","Organic & biomolecular chemistry","2015","13","1","170","177","10.1039/c4ob01793e","","","0.71073","MoKα","","0.0504","0.0358","","","0.0953","0.1023","","","","","","0.971","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154360","21.4489","0.0015","15.1178","0.0015","14.8599","0.0012","90","","120.899","0.004","90","","4134.6","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl O5 S -","- C23 H23 Cl O5 S -","- C184 H184 Cl8 O40 S8 -","8","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0898","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154361","7.3355","0.0003","27.2184","0.0011","12.3978","0.0005","90","","106.559","0.0011","90","","2372.69","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O5 S -","- C29 H28 O5 S -","- C116 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0887","0.0932","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154362","9.7206","0.0004","14.2444","0.0005","15.3744","0.0005","95.035","0.0014","95.523","0.0015","96.46","0.0015","2094.98","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","2","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0609","0.0402","","","0.091","0.1013","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154363","10.6137","0.001","15.5004","0.0014","13.2501","0.0012","90","","92.946","0.003","90","","2177","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O7 S -","- C25 H26 O7 S -","- C100 H104 O28 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0476","0.0348","","","0.0816","0.0884","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154364","9.0583","0.0006","29.646","0.002","8.5818","0.0006","90","","106.748","0.002","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 S -","- C26 H28 O5 S -","- C104 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0485","0.0374","","","0.0901","0.0957","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154365","7.053","0.004","7.478","0.004","24.426","0.014","90","","89.526","0.015","90","","1288.2","1.2","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O3 -","- C12 Br N O3 -","- C48 Br4 N4 O12 -","4","2","","Zhu, Yadong; Qian, Pengfei; Yang, Jiyang; Chen, Shaohua; Hu, Yanwei; Wu, Ping; Wang, Wei; Zhang, Wei; Zhang, Shilei","Organocatalytic enantioselective Michael addition of cyclic hemiacetals to nitroolefins: a facile access to chiral substituted 5- and 6-membered cyclic ethers.","Organic & biomolecular chemistry","2015","13","16","4769","4775","10.1039/c5ob00202h","","","0.7107","MoKα","","","0.0917","","","","0.0928","","","","","","8.877","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154366","5.834","0.016","12.53","0.04","19.7","0.05","87.16","0.04","86.36","0.04","88.79","0.04","1435","7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Ding, Zhengwei; Tan, Qitao; Gao, Mingchun; Xu, Bin","Copper-catalyzed aerobic cascade cycloamination and acyloxylation: a direct approach to 4-acyloxy-1H-pyrazoles.","Organic & biomolecular chemistry","2015","13","16","4642","4646","10.1039/c5ob00409h","","","0.71073","MoKα","","0.1325","0.0873","","","0.2588","0.3065","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154367","9.106","0.003","9.532","0.003","20.806","0.001","90","","99.034","0.012","90","","1783.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Li, Gang; Li, Li; Huang, Haihong; Yin, Dali","Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones.","Organic & biomolecular chemistry","2015","13","15","4418","4421","10.1039/c5ob00174a","","","1.54178","CuKα","","0.0518","0.0471","","","0.1431","0.1491","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154368","8.8905","0.0005","11.0671","0.0005","11.5086","0.0006","89.95","0.002","75.602","0.002","72.86","0.002","1044.87","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Guo, Shengmei; Lu, Lin; Gong, Jiuhan; Zhu, Zheng; Xu, Feng; Wei, Zhenhong; Cai, Hu","Copper-mediated tandem reaction of β-ketoesters/ketones with tertiary amines for the synthesis of 2,3-dihydrofurans.","Organic & biomolecular chemistry","2015","13","15","4426","4429","10.1039/c5ob00191a","","","0.71073","MoKα","","0.0578","0.0504","","","0.1406","0.1491","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154369","13.568","0.015","7.443","0.007","19.72","0.02","90","","105.441","0.009","90","","1920","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 Cl N6 O11 -","- C34 H55 Cl N6 O11 -","- C68 H110 Cl2 N12 O22 -","2","1","","Aillard, Boris; Kilburn, Jeremy D.; Blaydes, Jeremy P.; Tizzard, Graham J.; Findlow, Stuart; Werner, Jörn M; Bloodworth, Sally","Synthesis and evaluation of a (3R,6S,9S)-2-oxo-1-azabicyclo[4.3.0]nonane scaffold as a mimic of Xaa-trans-Pro in poly-l-proline type II helix conformation.","Organic & biomolecular chemistry","2015","13","15","4562","4569","10.1039/c5ob00180c","","x-ray","0.6889","","","0.1527","0.0833","","","0.1667","0.2067","","","","","","0.954","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154370","10.7456","0.0006","10.9466","0.0006","16.6473","0.0007","90","","97.4225","0.0014","90","","1941.78","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","2","","Okazaki, Shiho; Oishi, Shinya; Mizuhara, Tsukasa; Shimura, Kazuya; Murayama, Hiroto; Ohno, Hiroaki; Matsuoka, Masao; Fujii, Nobutaka","Investigations of possible prodrug structures for 2-(2-mercaptophenyl)tetrahydropyrimidines: reductive conversion from anti-HIV agents with pyrimidobenzothiazine and isothiazolopyrimidine scaffolds.","Organic & biomolecular chemistry","2015","13","16","4706","4713","10.1039/c5ob00301f","","","0.71075","MoKα","","","0.0398","","","","0.0796","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154371","10.9877","0.0018","10.2398","0.0016","12.339","0.002","90","","110.739","0.003","90","","1298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 Si -","- C24 H38 O6 Si -","- C48 H76 O12 Si2 -","2","1","","Shing, Tony K. M.; Cheng, Hau M.","Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.","Organic & biomolecular chemistry","2015","13","16","4795","4802","10.1039/c5ob00253b","","","0.71073","MoKα","","0.1071","0.0622","","","0.1516","0.1848","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154372","11.7351","0.0014","10.1832","0.0012","14.5872","0.0018","90","","99.078","0.002","90","","1721.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 O2 -","- C20 H18 Cl2 O2 -","- C80 H72 Cl8 O8 -","4","1","","Subba Reddy, B. V.; Prudhvi Raju, N.; Someswarao, B.; Mohan Reddy, B. Jagan; Sridhar, B.; Marumudi, Kanakaraju; Kunwar, A. C.","A novel domino cyclization for the stereoselective synthesis of indeno[2,1-c]pyran and cyclopenta[c]pyran derivatives.","Organic & biomolecular chemistry","2015","13","16","4733","4736","10.1039/c5ob00376h","","","0.71073","MoKα","","0.0637","0.0518","","","0.1188","0.1258","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154373","8.1768","0.00015","9.01871","0.00016","14.2224","0.001","90","","90","","90","","1048.82","0.08","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Fan, Lulu; Takizawa, Shinobu; Takeuchi, Yoshiki; Takenaka, Kazuhiro; Sasai, Hiroaki","Pd-catalyzed enantioselective intramolecular α-arylation of α-substituted cyclic ketones: facile synthesis of functionalized chiral spirobicycles.","Organic & biomolecular chemistry","2015","13","17","4837","4840","10.1039/c5ob00382b","","","1.54187","CuKα","","","0.0357","","","","0.119","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154374","11.9606","0.0011","21.1995","0.0017","10.6937","0.0008","90","","109.815","0.005","90","","2550.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O6 -","- C26 H25 Cl N2 O6 -","- C104 H100 Cl4 N8 O24 -","4","1","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1152","0.0575","","","0.1679","0.2007","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154375","12.3631","0.001","14.6129","0.0012","15.0199","0.0012","102.619","0.006","90.115","0.005","114.981","0.005","2386.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.09 H7.64 F1.09 N0.73 O2.18 -","- C9.09091 H7.63636 F1.09091 N0.727273 O2.18182 -","- C100 H84 F12 N8 O24 -","11","5.5","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1321","0.0742","","","0.2142","0.256","","","","","","1.067","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154376","9.3617","0.0002","13.1822","0.0002","14.7459","0.0003","90","","90","","90","","1819.76","0.06","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H17 Br N O5 S -","- C72 H68 Br4 N4 O20 S4 -","4","1","","Takechi, Ryosuke; Nishimura, Takahiro","Rhodium-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimines towards the synthesis of α,α-diaryl-α-amino acid derivatives.","Organic & biomolecular chemistry","2015","13","17","4918","4924","10.1039/c5ob00431d","","","1.54187","CuKα","","0.0383","0.0367","","","0.0906","0.0918","","","","","","1.077","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154377","7.9008","0.0016","9.2433","0.0018","12.558","0.003","90","","92.35","0.03","90","","916.3","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Li, Pei-Fang; Yi, Cheng-Bo; Qu, Jin","Hot water-promoted cyclopropylcarbinyl rearrangement facilitates construction of homoallylic alcohols.","Organic & biomolecular chemistry","2015","13","17","5012","5021","10.1039/c5ob00305a","","","0.71073","MoKα","","0.0546","0.0352","","","0.0798","0.0885","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154378","10.182","0.003","19.806","0.007","8.31","0.003","90","","126.517","0.005","90","","1346.8","0.8","100","2","298","2","","","","","","","1-naphthylamine","3","C 1 c 1","C -2yc","9","3'd","2-methyl-3-phenyl-1H-benzo[g]indole","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze","Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.","Organic & biomolecular chemistry","2015","13","17","5022","5029","10.1039/c5ob00129c","","","0.71073","MoKα","","0.0348","0.0328","","","0.0829","0.0847","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154379","9.2763","0.0002","10.2244","0.0003","19.9092","0.0005","90","","94.243","0.002","90","","1883.1","0.08","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Liu, Ren-Rong; Ye, Shi-Chun; Lu, Chuan-Jun; Xiang, Bin; Gao, Jianrong; Jia, Yi-Xia","Au-catalyzed ring-opening reactions of 2-(1-alkynyl-cyclopropyl)pyridines with nucleophiles.","Organic & biomolecular chemistry","2015","13","17","4855","4858","10.1039/c5ob00523j","","","0.71073","MoKα","","0.054","0.0422","","","0.0972","0.1051","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154380","8.5053","0.0003","18.3634","0.0005","14.5843","0.0004","90","","106.636","0.002","90","","2182.52","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N O5 -","- C26 H18 Cl N O5 -","- C104 H72 Cl4 N4 O20 -","4","2","","Molleti, Nagaraju; Singh, Vinod K.","Highly enantioselective synthesis of naphthoquinones and pyranonaphthoquinones catalyzed by bifunctional chiral bis-squaramides.","Organic & biomolecular chemistry","2015","13","18","5243","5254","10.1039/c5ob00105f","","","0.71073","MoKα","","0.0438","0.0329","","","0.0939","0.1062","","","","","","1.23","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154381","5.4941","0.0002","24.8448","0.001","12.4135","0.0005","90","","102.044","0.004","90","","1657.14","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","","0.71073","MoKα","","0.0495","0.0397","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154382","6.1174","0.0004","11.805","0.0004","12.9211","0.0004","89.082","0.003","80.227","0.005","76.501","0.005","893.89","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0662","0.0512","","","0.131","0.1452","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154383","5.6806","0.0005","12.4099","0.0009","12.5191","0.0009","89.497","0.004","79.611","0.004","78.354","0.004","849.85","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cl N -","- C22 H18 Cl N -","- C44 H36 Cl2 N2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","1.54184","CuKα","","0.0918","0.0788","","","0.2033","0.2178","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154384","6.1195","0.0005","8.1503","0.0007","34.905","0.003","93.937","0.003","93.167","0.003","95.383","0.003","1725.8","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","2","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0868","0.0644","","","0.1598","0.1784","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154385","6.04042","0.00015","11.6602","0.0003","12.1628","0.0002","99.3522","0.0019","98.908","0.0019","101.371","0.002","813.07","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0468","0.0415","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154386","15.7471","0.0004","7.1137","0.0002","15.1029","0.0003","90","","94.492","0.001","90","","1686.63","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0486","0.0349","","","0.0824","0.0896","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154387","8.7022","0.0001","21.4243","0.0003","8.404","0.0001","90","","103.488","0.001","90","","1523.61","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0361","0.0303","","","0.0745","0.0782","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154388","13.088","0.005","9.287","0.005","16.183","0.005","90","0.005","103.796","0.005","90","0.005","1910.3","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H46 O12 -","- C39 H46 O12 -","- C78 H92 O24 -","2","1","","Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.; Sureshan, Kana M.","Triazolophostins: a library of novel and potent agonists of IP3 receptors.","Organic & biomolecular chemistry","2015","13","24","6698","6710","10.1039/c5ob00440c","","","0.71073","MoKα","","0.0788","0.065","","","0.1711","0.1905","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154389","10.992","0.004","11.214","0.004","11.305","0.004","102.215","0.005","104.067","0.005","108.292","0.005","1219.1","0.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0677","0.0525","","","0.1555","0.1652","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154390","9.0418","0.0019","11.277","0.002","12.649","0.003","90","","110.94","","90","","1204.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 -","- C31 H22 N4 -","- C62 H44 N8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0469","0.038","","","0.0949","0.1191","","","","","","0.511","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154391","5.5916","0.0001","11.9281","0.0002","15.3677","0.0011","70.326","0.005","80.097","0.006","79.031","0.006","941.04","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Magpusao, Anniefer N.; Rutledge, Kelli; Mercado, Brandon Q.; Peczuh, Mark W.","Stereogenic α-carbons determine the shape and topology of [13]-macrodilactones.","Organic & biomolecular chemistry","2015","13","18","5086","5089","10.1039/c5ob00402k","","","1.54187","CuKα","","0.0317","0.0294","","","0.0735","0.0749","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154392","9.1967","0.0005","10.3931","0.0007","19.4118","0.001","90","","90","","90","","1855.42","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0679","0.0608","","","0.1705","0.1803","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154393","8.981","0.0004","11.3115","0.0005","9.4917","0.0007","90","","112.099","0.007","90","","893.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0356","0.0352","","","0.0955","0.0962","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154394","7.9598","0.0003","9.8111","0.0003","17.7241","0.0006","90","","90","","90","","1384.15","0.08","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((2R,3S,4R,5R,6S)-3,4-Dihydroxy-6-methoxy-5-(methylsulfonamido) tetrahydro-2H-pyran-2-yl)methyl sulfamate","","- C8 H18 N2 O9 S2 -","- C8 H18 N2 O9 S2 -","- C32 H72 N8 O36 S8 -","4","1","","Miller, Duncan C.; Carbain, Benoit; Beale, Gary S.; Alhasan, Sari F.; Reeves, Helen L.; Baisch, Ulrich; Newell, David R.; Golding, Bernard T.; Griffin, Roger J.","Regioselective sulfamoylation at low temperature enables concise syntheses of putative small molecule inhibitors of sulfatases.","Organic & biomolecular chemistry","2015","13","18","5279","5284","10.1039/c5ob00211g","","x-ray","0.71073","MoKα","","0.0277","0.026","","","0.0647","0.0667","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154395","4.9159","0.0005","9.8984","0.0011","11.3114","0.0013","88.785","0.009","78.349","0.009","82.913","0.009","534.94","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C24 H18 N2 O6 -","2","1","","Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro","Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.","Organic & biomolecular chemistry","2015","13","19","5467","5474","10.1039/c5ob00435g","","","1.54184","CuKα","","0.1033","0.0724","","","0.2119","0.2766","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154396","9.8399","0.0006","5.2999","0.0003","28.511","0.0016","90","","98.305","0.006","90","","1471.27","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0672","0.0483","","","0.1458","0.1651","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154397","11.0565","0.0007","25.7976","0.0011","5.1911","0.0003","90","","103.206","0.007","90","","1441.51","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0849","0.0584","","","0.1641","0.1893","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154398","5.8502","0.0003","10.6878","0.0008","11.8197","0.0008","88.055","0.006","85.254","0.005","81.792","0.005","728.77","0.08","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0687","0.0568","","","0.1625","0.177","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154399","6.9852","0.0005","8.4612","0.0007","13.1167","0.0009","73.977","0.007","81.811","0.006","78.873","0.007","727.84","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0614","0.0455","","","0.1217","0.1361","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154400","7.4859","0.0004","21.3424","0.0016","9.3008","0.0005","90","","90","","90","","1485.96","0.16","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0526","0.0437","","","0.108","0.116","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154401","11.7297","0.0005","8.2689","0.0005","34.713","0.002","90","","90","","90","","3366.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C144 H192 O40 -","8","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.1087","0.0737","","","0.1887","0.22","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154402","11.4719","0.0017","12.698","0.0019","13.003","0.0018","104.987","0.004","106.388","0.004","111.648","0.004","1543","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C68 H66 Cl2 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1682","0.0726","","","0.1897","0.2296","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154403","12.3","0.002","9.3444","0.0017","27.632","0.005","90","","104.945","0.007","90","","3068.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C136 H132 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1657","0.0763","","","0.1334","0.1662","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154404","11.583","0.002","11.842","0.002","12.658","0.002","101.756","0.005","108.305","0.005","110.254","0.005","1448.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O6 -","- C31 H28 Cl2 N2 O6 -","- C62 H56 Cl4 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.2263","0.0696","","","0.1159","0.1551","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154405","7.5714","0.001","15.502","0.002","20.241","0.003","90","","90","","90","","2375.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.0873","0.0458","","","0.0931","0.106","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154406","12.0486","0.0015","19.463","0.002","13.053","0.0016","90","","106.16","0.002","90","","2940","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 F N2 O6 -","- C33 H33 F N2 O6 -","- C132 H132 F4 N8 O24 -","4","2","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1289","0.1072","","","0.2579","0.2921","","","","","","1.134","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154407","18.95","0.007","13.964","0.006","11.122","0.005","90","","90","","90","","2943","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O7 S -","- C33 H32 N2 O7 S -","- C132 H128 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1429","0.0623","","","0.1239","0.1563","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154408","10.504","0.002","16.482","0.003","16.712","0.003","90","","90","","90","","2893.3","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl N2 O7 S -","- C30 H33 Cl N2 O7 S -","- C120 H132 Cl4 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1526","0.0726","","","0.1519","0.1832","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154409","11.703","0.0013","30.077","0.004","29.48","0.004","90","","93.181","0.003","90","","10361","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F N2 O11 -","- C37 H35 F N2 O11 -","- C444 H420 F12 N24 O132 -","12","3","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.0588","","","0.1038","0.1339","","","","","","1.001","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154410","10.5329","0.0012","10.6066","0.0011","19.252","0.002","104.723","0.003","97.305","0.003","107.595","0.003","1933.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 Cl N2 O10 -","- C34 H37 Cl N2 O10 -","- C68 H74 Cl2 N4 O20 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1233","0.0894","","","0.2795","0.2992","","","","","","1.112","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154411","15.9722","0.0018","8.9978","0.001","27.367","0.003","90","","94.485","0.004","90","","3921","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O10 -","- C44 H42 N2 O10 -","- C176 H168 N8 O40 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.067","","","0.1381","0.1756","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154412","7.9805","0.0007","23.492","0.002","9.3323","0.0008","90","","112.494","0.002","90","","1616.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Wang, Lan-Zhi; Li, Xiao-Qing; An, Ying-Shuang","1,5-Benzodiazepine derivatives as potential antimicrobial agents: design, synthesis, biological evaluation, and structure-activity relationships.","Organic & biomolecular chemistry","2015","13","19","5497","5509","10.1039/c5ob00655d","","","0.71073","MoKα","","0.1192","0.0582","","","0.1427","0.1831","","","","","","1.014","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154413","9.807","0.005","22.782","0.011","10.81","0.005","90","","114.359","0.007","90","","2200.2","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O5 -","- C23 H22 Cl N O5 -","- C92 H88 Cl4 N4 O20 -","4","2","","Xue, Zhi-Yong; Song, Zhi-Min; Wang, Chun-Jiang","Cu(i)/TF-BiphamPhos-catalyzed asymmetric Michael addition of cyclic ketimino esters to alkylidene malonates.","Organic & biomolecular chemistry","2015","13","19","5460","5466","10.1039/c5ob00591d","","","0.71073","MoKα","","0.1441","0.0706","","","0.1427","0.1677","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154414","9.043","0.002","10.807","0.002","13.279","0.003","106.641","0.005","90.549","0.005","107.25","0.005","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Cl3 N2 -","- C28 H19 Cl3 N2 -","- C56 H38 Cl6 N4 -","2","1","","Peng, Haibo; Yu, Jin-Tao; Jiang, Yan; Wang, Lei; Cheng, Jiang","Rhodium-catalyzed annulation between 2-arylimidazo[1,2-a]pyridines and alkynes leading to pyrido[1,2-a]benzimidazole derivatives.","Organic & biomolecular chemistry","2015","13","19","5354","5357","10.1039/c5ob00450k","","","0.71073","MoKα","","0.0962","0.0743","","","0.2302","0.2795","","","","","","1.135","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154415","16.9345","0.0013","22.9721","0.0013","10.3059","0.0007","90","","108.212","0.002","90","","3808.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C168 H160 F24 N8 O16 -","8","1","","Subba Reddy, B. V.; Muralikrishna, K.; Yadav, J. S.; Babu, N. Jagdeesh; Sirisha, K.; Sarma, A. V. S.","Tandem Prins/Wagner/Ritter process for the stereoselective synthesis of (3-oxabicyclo[4.2.0]octanyl)amide and (1-(5-aryltetrahydrofuran-3-yl)cyclobutyl)amide derivatives.","Organic & biomolecular chemistry","2015","13","19","5532","5536","10.1039/c5ob00031a","","","0.71073","MoKα","","0.1166","0.0978","","","0.1977","0.2084","","","","","","1.244","","","","has coordinates,has disorder","301861","2025-08-22","11:12:23",""
"7154416","8.205","0.0005","10.6112","0.0006","10.8283","0.0006","90","","90","","90","","942.76","0.09","293.15","","293.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Wu, Jie; You, Qiulin; Lan, Jingbo; Guo, Qiang; Li, Xiaoyu; Xue, Ying; You, Jingsong","Cu-catalysed direct C-H (hetero)arylation of [1,2,4]triazolo[4,3-a]pyridine to construct deep-blue-emitting luminophores.","Organic & biomolecular chemistry","2015","13","19","5372","5375","10.1039/c5ob00552c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1161","0.1197","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154417","9.958","0.002","10.5456","0.0008","11.151","0.004","72.1","0.2","84.9","0.2","69.76","0.17","1045.3","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O5 -","- C21 H17 Br2 N3 O5 -","- C42 H34 Br4 N6 O10 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective synthesis of chiral heterocycles containing both chroman and pyrazolone derivatives catalysed by a chiral squaramide.","Organic & biomolecular chemistry","2015","13","20","5636","5645","10.1039/c4ob02653e","","","0.71073","MoKα","","0.06","0.042","","","0.0988","0.105","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154418","8.7578","0.0004","10.8532","0.0006","18.2457","0.0009","90","","90","","90","","1734.26","0.15","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F4 O2 -","- C19 H16 F4 O2 -","- C76 H64 F16 O8 -","4","1","","Wang, Jingjing; Kong, Wei-Guang; Li, Feng; Liu, Jie; Shen, Qin; Liu, Lantao; Zhao, Wen-Xian","Silver salts and DBU cooperatively catalyzed nucleophilic addition/cyclization of propargylic alcohols with trifluoromethyl ketones.","Organic & biomolecular chemistry","2015","13","19","5399","5406","10.1039/c5ob00438a","","","1.54184","CuKα","","0.0438","0.039","","","0.097","0.1014","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:23",""
"7154419","10.907","0.0003","20.1115","0.0005","11.0941","0.0003","90","","99.508","0.003","90","","2400.13","0.11","180","0.14","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C108 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.","Organic & biomolecular chemistry","2015","13","22","6338","6343","10.1039/c5ob00702j","","","1.54184","CuKα","","0.063","0.0605","","","0.1619","0.1652","","","","","","1.059","","","","has coordinates,has disorder","138819","2020-10-21","18:00:00",""
"7154420","6.35","0.005","31.01","0.03","6.458","0.005","90","","112.526","0.013","90","","1174.6","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I -","- C13 H15 I -","- C52 H60 I4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0774","0.0442","","","0.0931","0.1018","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154421","6.201","0.005","30.714","0.005","6.35","0.005","90","","114.351","0.005","90","","1101.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br -","- C13 H15 Br -","- C52 H60 Br4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0519","0.036","","","0.0779","0.0865","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154422","6.3915","0.0004","6.8582","0.0005","24.6067","0.0017","90","","94.259","0.007","90","","1075.64","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl -","- C13 H15 Cl -","- C52 H60 Cl4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0706","0.0439","","","0.0821","0.0959","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154423","12.175","0.002","10.945","0.002","20.162","0.004","90","","91.26","0.03","90","","2686","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Zhu, Chunyin; Bi, Benwei; Ding, Ya; Zhang, Te; Chen, Qiu-Yun","A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts.","Organic & biomolecular chemistry","2015","13","22","6278","6285","10.1039/c5ob00630a","","","0.71073","MoKα","","0.0464","0.0386","","","0.0931","0.0978","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154424","5.3827","0.0019","7.108","0.002","20.99","0.007","90","","97.301","0.006","90","","796.6","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl F4 N O2 -","- C15 H18 Cl F4 N O2 -","- C30 H36 Cl2 F8 N2 O4 -","2","1","","Ayoup, Mohammed Salah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine containing amino acids: synthesis and peptide coupling of amino acids containing the all-cis tetrafluorocyclohexyl motif.","Organic & biomolecular chemistry","2015","13","20","5621","5624","10.1039/c5ob00650c","","","1.54187","CuKα","","0.1193","0.0966","","","0.2465","0.2711","","","","","","0.978","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154425","8.1008","0.0019","9.745","0.002","18.18","0.004","90","","90","","90","","1435.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0555","0.0463","","","0.1326","0.142","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154426","9.6858","0.0009","9.9838","0.0006","15.1087","0.001","90","","90","","90","","1461.03","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0617","0.0576","","","0.1555","0.1614","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154427","5.8099","0.001","21.073","0.004","32.234","0.006","90","","90","","90","","3946.5","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C200 H136 Cl8 O24 -","8","2","","Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.","Organic & biomolecular chemistry","2015","13","24","6694","6697","10.1039/c5ob00859j","","","0.71073","MoKα","","0.0508","0.0477","","","0.0979","0.1","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154428","32.082","0.011","9.634","0.003","22.744","0.008","90","","99.922","0.006","90","","6925","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C288 H272 Cl16 N32 O32 -","16","2","","Chandra Mohan, Darapaneni; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Copper-catalyzed aerobic oxidative amination of C(sp(3))-H bonds: synthesis of imidazo[1,5-a]pyridines.","Organic & biomolecular chemistry","2015","13","20","5602","5607","10.1039/c5ob00381d","","","0.71073","MoKα","","0.0773","0.0548","","","0.1378","0.1531","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154429","15.2039","0.0008","12.3888","0.0006","9.8162","0.0005","90","","98.113","0.002","90","","1830.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarinopyran pyrimidinedione","4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15, 17-tetraene-3,5,11-trione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan; Sivakumar, Nagappan; Malathi, Palani; Manikandan, Vasudevan","Stereoselective construction of functionalized tetracyclic and pentacyclic coumarinopyranpyrazole/pyrimidinedione/coumarin scaffolds using a solid-state melt reaction.","Organic & biomolecular chemistry","2015","13","20","5597","5601","10.1039/c5ob00442j","","","0.71073","MoKα","","0.0696","0.0479","","","0.1326","0.1598","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154430","7.1491","0.0006","9.2336","0.0009","10.4719","0.0009","91.207","0.004","97.28","0.003","90.918","0.003","685.42","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0546","0.0387","","","0.0991","0.1106","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154431","15.8518","0.001","7.2952","0.0005","13.5752","0.0007","90","","106.043","0.003","90","","1508.72","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0795","0.0535","","","0.1443","0.1642","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154432","6.3743","0.0007","10.3034","0.0013","10.5322","0.0012","80.064","0.004","72.725","0.005","76.743","0.004","638.84","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0895","0.0524","","","0.1378","0.1706","","","","","","0.854","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154433","19.554","0.003","14.799","0.0017","7.5795","0.0009","90","","101.157","0.006","90","","2151.9","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1024","0.0502","","","0.0984","0.1253","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154434","14.347","0.002","7.3632","0.0011","13.382","0.002","90","","92.25","0.007","90","","1412.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1017","0.0526","","","0.1358","0.1724","","","","","","0.825","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154435","15.617","0.008","5.565","0.003","18.62","0.01","90","","113.024","0.005","90","","1489.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1994","0.0891","","","0.2575","0.3334","","","","","","0.908","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154436","7.8554","0.0007","19.1071","0.0017","9.8166","0.0009","90","","112.458","0.002","90","","1361.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Pagar, Vinayak Vishnu; Liu, Rai-Shung","Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.","Organic & biomolecular chemistry","2015","13","22","6166","6169","10.1039/c5ob00696a","","","0.71073","MoKα","","0.0495","0.0387","","","0.0945","0.1013","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154437","15.394","0.0017","13.3282","0.0013","18.339","0.002","90","","107.045","0.004","90","","3597.4","0.7","122.15","","122.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 N O3 -","- C47 H47 N O3 -","- C188 H188 N4 O12 -","4","1","","Plesner, Malene; Hensel, Thomas; Nielsen, Bjarne E.; Kamounah, Fadhil S.; Brock-Nannestad, Theis; Nielsen, Christian B.; Tortzen, Christian G.; Hammerich, Ole; Pittelkow, Michael","Synthesis and properties of unsymmetrical azatrioxa[8]circulenes.","Organic & biomolecular chemistry","2015","13","21","5937","5943","10.1039/c5ob00676g","","","0.71073","MoKα","","0.0644","0.0423","","","0.0968","0.1084","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154438","10.2403","0.0009","12.1323","0.0011","12.4975","0.0012","90","","92.516","0.001","90","","1551.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F2 N O -","- C19 H14 B F2 N O -","- C76 H56 B4 F8 N4 O4 -","4","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.0739","0.0379","","","0.092","0.1122","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154439","9.2542","0.0008","9.8875","0.0009","14.4448","0.0013","109.354","0.002","102.882","0.001","95.386","0.001","1195.24","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 B N O -","- C31 H24 B N O -","- C62 H48 B2 N2 O2 -","2","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.1048","0.0511","","","0.1568","0.2173","","","","","","0.697","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154440","8.5374","0.0002","10.3276","0.0002","18.5918","0.0003","74.951","0.001","77.508","0.001","84.49","0.001","1544.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrrolo[3,2-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","2","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.076","0.0529","","","0.1125","0.1282","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154441","5.9896","0.0001","11.3423","0.0002","11.1347","0.0002","90","","96.311","0.001","90","","751.86","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenyl)-2-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0543","0.0462","","","0.1014","0.1097","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154442","8.9404","0.0003","19.2009","0.0005","9.662","0.0003","90","","92.373","0.001","90","","1657.19","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Naphthyl)-1-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0683","0.0512","","","0.121","0.1328","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154443","9.181","0.004","9.395","0.004","27.281","0.011","90","","90","","90","","2353.1","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 N2 O3 S -","- C24 H24 Br2 N2 O3 S -","- C96 H96 Br8 N8 O12 S4 -","4","1","","Gui, Yong-Yuan; Yang, Jian; Qi, Liang-Wen; Wang, Xiao; Tian, Fang; Li, Xiao-Nian; Peng, Lin; Wang, Li-Xin","A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters.","Organic & biomolecular chemistry","2015","13","22","6371","6379","10.1039/c5ob00774g","","","0.71073","MoKα","","0.1828","0.1472","","","0.3251","0.346","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154444","20.5153","0.0014","6.7406","0.0004","7.4148","0.0005","90","","90","","90","","1025.36","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-trichloro-1-(1H-indol-3-yl)ethan-1-one","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","0.5","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0321","0.0282","","","0.066","0.0691","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154445","9.8736","0.0005","11.2992","0.0004","10.6096","0.0005","90","","98.358","0.005","90","","1171.08","0.09","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H8 Cl3 N O -","- C11 H8 Cl3 N O -","- C44 H32 Cl12 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0413","0.0303","","","0.065","0.0715","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154446","5.9311","0.0003","10.5722","0.0004","13.4606","0.0006","90","","90","","90","","844.04","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-dichloro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one","","- C7 H7 Cl2 N O -","- C7 H7 Cl2 N O -","- C28 H28 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0231","0.0222","","","0.0559","0.0566","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154447","6.9827","0.0004","11.0753","0.0006","14.6118","0.0011","90","","111.091","0.005","90","","1054.31","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-dichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H9 Cl2 N O -","- C11 H9 Cl2 N O -","- C44 H36 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0503","0.0401","","","0.0904","0.0987","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154448","14.3029","0.0005","20.874","0.0009","20.909","0.0008","90","","90","","90","","6242.6","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-dichloro-3-hydroxy-3-(perfluorophenyl)-1-(p-tolyl)propan-1-one","","- C16 H9 Cl2 F5 O2 -","- C16 H9 Cl2 F5 O2 -","- C256 H144 Cl32 F80 O32 -","16","2","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0563","0.0387","","","0.0921","0.1044","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154449","7.3186","0.0003","9.4938","0.0006","11.797","0.0007","83.481","0.005","89.534","0.004","76.102","0.004","790.37","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C17 H8 Cl2 F5 N O2 -","- C17 H8 Cl2 F5 N O2 -","- C34 H16 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0528","0.0392","","","0.0826","0.0911","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154450","7.797","0.0006","9.7342","0.0007","12.022","0.001","91.836","0.007","97.659","0.006","109.698","0.007","848.48","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1-methyl-1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C18 H10 Cl2 F5 N O2 -","- C18 H10 Cl2 F5 N O2 -","- C36 H20 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0836","0.0481","","","0.0805","0.0945","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154451","8.4691","0.0005","9.8694","0.0006","10.0248","0.0005","87.037","0.004","87.379","0.004","65.674","0.005","762.23","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C32 H26 Cl4 N2 O8 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0502","0.0388","","","0.1011","0.1101","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154452","8.6111","0.0005","10.1757","0.0006","11.1365","0.0007","87.574","0.005","70.982","0.006","75.76","0.005","893.45","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethyl 2-(1,1-dichloro-2-(1-methyl-1H-indol-3-yl)-2-oxoethyl)-2-hydroxymalonate","","- C18 H19 Cl2 N O6 -","- C18 H19 Cl2 N O6 -","- C36 H38 Cl4 N2 O12 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0481","0.0365","","","0.0792","0.0879","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154453","8.4445","0.0004","15.4187","0.0007","17.2259","0.0008","90","","90","","90","","2242.87","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R*,3R*)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propyl 4-nitrobenzoate","","- C23 H18 Cl2 N2 O7 -","- C23 H18 Cl2 N2 O7 -","- C92 H72 Cl8 N8 O28 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0492","0.04","","","0.0819","0.0879","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154454","6.7051","0.0003","14.1443","0.0006","15.7774","0.0006","90","","101.326","0.004","90","","1467.17","0.11","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","(1R*,3R*)-1-(4-(tert-butyl)phenyl)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)propyl 4-nitrobenzoate","","- C27 H24 Cl5 N2 O7 -","- C27 H24 Cl5 N2 O7 -","- C54 H48 Cl10 N4 O14 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0388","0.0374","","","0.0925","0.0938","","","","","","1.025","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154455","8.4142","0.0004","21.2032","0.0008","8.5672","0.0004","90","","116.111","0.006","90","","1372.47","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(1-methyl-1H-pyrrol-2-yl)methanone","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0429","0.0369","","","0.0853","0.0888","","","","","","1.072","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154456","15.66","0.002","7.1579","0.001","14.548","0.002","90","","113.366","0.004","90","","1497","0.4","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C64 H48 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0302","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154457","7.323","0.00009","12.09364","0.00016","15.09304","0.00016","90","","96.2048","0.001","90","","1328.84","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(phenyl)methanone","","- C15 H10 Cl N O4 -","- C15 H10 Cl N O4 -","- C60 H40 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0447","0.0328","","","0.0724","0.0779","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154458","5.6122","0.0002","9.9184","0.0005","17.5824","0.001","102.312","0.005","94.807","0.004","102.041","0.004","926.69","0.08","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Hickey, Shane M.; Ashton, Trent D.; Khosa, Simren K.; Robson, Ryan N.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents.","Organic & biomolecular chemistry","2015","13","22","6225","6241","10.1039/c5ob00621j","","","0.7107","MoKα","","0.0563","0.0448","","","0.1025","0.111","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154459","8.772","0.006","7.482","0.004","9.64","0.006","90","","113.568","0.015","90","","579.9","0.6","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C20 H30 N2 O12 -","2","1","","Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao","Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.","Organic & biomolecular chemistry","2015","13","19","5363","5366","10.1039/c5ob00708a","","","1.54178","CuKα","","0.0424","0.0394","","","0.1053","0.1075","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154460","9.9745","0.0019","13.598","0.004","14.519","0.003","62.086","0.003","69.92","0.002","84.326","0.003","1629.8","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 N2 O7 -","- C37 H36 N2 O7 -","- C74 H72 N4 O14 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.0676","0.0519","","","0.1334","0.1475","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154461","10.251","0.008","14.38","0.011","19.976","0.016","72.13","0.009","88.557","0.01","69.446","0.009","2613","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H59 Cl3 N2 O10 -","- C55 H59 Cl3 N2 O10 -","- C110 H118 Cl6 N4 O20 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.1389","0.081","","","0.2225","0.252","","","","","","1.399","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154462","11.088","0.002","18.565","0.004","13.258","0.003","90","","90","","90","","2729.1","1","133","2","133","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0565","0.0476","","","0.115","0.1215","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154463","16.519","0.006","12.951","0.005","17.522","0.006","90","","106.652","0.007","90","","3591","2","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F8 S -","- C21 H16 F8 S -","- C168 H128 F64 S8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0636","0.0468","","","0.123","0.1411","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154464","7.7588","0.0003","5.5583","0.0002","12.2776","0.0006","90","","97.98","0.002","90","","524.35","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol","","- C11 H19 N O -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","","Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.","A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.","Organic & biomolecular chemistry","2015","13","28","7633","7642","10.1039/c5ob00525f","","","0.71073","MoKα","","0.0567","0.0445","","","0.1052","0.1097","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154465","11.8867","0.0003","12.5284","0.0006","13.0514","0.0004","79.096","0.004","89.444","0.002","77.23","0.005","1860.29","0.12","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C84 H100 N12 -","4","2","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0473","0.0452","","","0.1167","0.1186","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154466","16.449","0.0008","16.449","0.0008","8.4714","0.0004","90","","90","","90","","2292.1","0.19","223","2","223","2","","","","","","","","3","P -4","P -4","81","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0693","0.0592","","","0.1527","0.1621","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154467","12.9137","0.0005","14.1902","0.0004","14.606","0.0006","107.781","0.002","90.352","0.002","98.594","0.002","2516.23","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C126 H102 N18 O6 -","6","3","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0432","0.0381","","","0.1002","0.1046","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154468","14.6582","0.0009","17.3558","0.0012","7.0639","0.0007","90","","98.146","0.003","90","","1779","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 -","- C20 H16 Cl N3 -","- C80 H64 Cl4 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.0562","0.0411","","","0.1066","0.1121","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154469","8.9276","0.0002","9.0785","0.0002","16.8687","0.0003","90","","96.058","0.002","90","","1359.56","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.051","0.0442","","","0.1042","0.1107","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154470","7.7886","0.0002","9.935","0.0003","13.6151","0.0004","83.463","0.002","84.947","0.002","73.188","0.002","1000.26","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N3 O3 -","- C22 H22 Cl N3 O3 -","- C44 H44 Cl2 N6 O6 -","2","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0443","0.0362","","","0.0873","0.091","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154471","7.052","0.002","19.594","0.007","19.706","0.007","90","","90","","90","","2722.9","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mx3217","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C120 H80 Cl8 N24 O16 -","8","2","","Li, Gen; Feng, Xiangqing; Du, Haifeng","Palladium-catalyzed asymmetric allylic amination of racemic butadiene monoxide with isatin derivatives.","Organic & biomolecular chemistry","2015","13","20","5826","5830","10.1039/c5ob00663e","","","0.71073","MoKα","","0.0917","0.0766","","","0.1306","0.14","","","","","","1.135","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154472","11.205","0.003","11.346","0.003","13.093","0.004","108.312","0.003","90.218","0.003","112.482","0.003","1445.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 O2 S2 Si2 -","- C26 H40 O2 S2 Si2 -","- C52 H80 O4 S4 Si4 -","2","1","","Tarao, Asami; Tabuchi, Yukako; Sugimoto, Eri; Ikeda, Miki; Uchimoto, Hitomi; Arimitsu, Kenji; Kimura, Hiroyuki; Kawasaki, Ikuo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Nishide, Kiyoharu","A mechanistic investigation of anti-elimination in (Z)-1,2-bis(arylseleno)-1-alkenes and their sulfur analogs.","Organic & biomolecular chemistry","2015","13","21","5964","5971","10.1039/c5ob00490j","","","0.71073","MoKα","","0.0554","0.0411","","","0.0986","0.1064","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154473","12.939","0.003","6.3984","0.0013","11.757","0.003","90","","94.899","0.005","90","","969.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0594","0.0476","","","0.1205","0.1278","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154474","16.6489","0.0007","9.9633","0.0005","20.3053","0.0009","90","","109.201","0.0012","90","","3180.8","0.3","93","0.2","93","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKa","","0.0449","0.0356","","","0.0866","0.0921","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154475","24.3516","0.0013","7.983","0.0004","10.7485","0.0005","90","","101.346","0.0014","90","","2048.66","0.18","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0376","0.0339","","","0.0862","0.089","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154476","11.5662","0.0007","10.3707","0.0007","18.8464","0.0012","90","","106.582","0.007","90","","2166.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.7107","MoKα","","0.063","0.0481","","","0.1143","0.1244","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154477","8.265","0.0008","9.9045","0.0009","12.9392","0.0009","87.58","0.006","89.28","0.007","81.755","0.008","1047.31","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O2 -","- C26 H18 I N O2 -","- C52 H36 I2 N2 O4 -","2","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0693","0.0754","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154478","7.7849","0.0001","22.0042","0.0004","17.4037","0.0003","90","","93.534","0.001","90","","2975.59","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F10 P -","- C32 H24 B F10 P -","- C128 H96 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0865","0.058","","","0.1256","0.1444","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154479","10.8338","0.0001","16.5708","0.0002","19.0605","0.0003","90","","91.147","0.001","90","","3421.15","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F13 O3 P S -","- C33 H25 B F13 O3 P S -","- C132 H100 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0722","0.0566","","","0.1264","0.1383","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154480","9.8988","0.0001","12.2385","0.0001","13.9479","0.0001","90.586","0.001","107.262","0.001","99.498","0.001","1588.36","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 B F10 P -","- C32 H26 B F10 P -","- C64 H52 B2 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0554","0.05","","","0.1519","0.1558","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154481","13.055","0.0005","18.7048","0.0008","15.4615","0.0006","90","","103.848","0.003","90","","3665.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F13 O3 P S -","- C33 H27 B F13 O3 P S -","- C132 H108 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0919","0.0534","","","0.1359","0.1536","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154482","8.814","0.0003","24.0603","0.0008","14.3592","0.0004","90","","104.377","0.002","90","","2949.76","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 P -","- C32 H28 B F10 P -","- C128 H112 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0598","0.0574","","","0.1339","0.1352","","","","","","1.121","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154483","11.2185","0.0002","11.8258","0.0002","15.1455","0.0003","90.266","0.001","108.687","0.001","103.129","0.001","1847.1","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B Cl2 F10 P -","- C40 H34 B Cl2 F10 P -","- C80 H68 B2 Cl4 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0776","0.0604","","","0.1437","0.1582","","","","","","1.064","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154484","18.0651","0.0003","10.2032","0.0001","23.1974","0.0004","90","","107.174","0.001","90","","4085.14","0.11","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 B F13 O3 P S -","- C40 H33 B F13 O3 P S -","- C160 H132 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1025","0.072","","","0.1763","0.1941","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154485","14.7699","0.0005","16.8329","0.0005","17.5277","0.0007","90","","99.02","0.002","90","","4303.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C176 H108 B8 F80 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0569","0.0441","","","0.1168","0.1242","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154486","11.7085","0.0002","20.9557","0.0004","17.8664","0.0003","90","","107.975","0.001","90","","4169.73","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 B2 F20 O P -","- C45 H27 B2 F20 O P -","- C180 H108 B8 F80 O4 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1057","0.0669","","","0.132","0.156","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154487","8.8516","0.0003","9.08","0.0004","11.1409","0.0008","90","","108.971","0.008","90","","846.79","0.09","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Si, Debjani; Peczuh, Mark W.","Synthesis, structure and reactivity of [15]-macrodilactones.","Organic & biomolecular chemistry","2015","13","23","6463","6467","10.1039/c5ob00809c","","","1.54187","CuKα","","0.0296","0.0251","","","0.0597","0.0623","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154488","9.2824","0.0005","10.8659","0.0006","14.2839","0.0007","109.87","0.003","103.464","0.002","98.966","0.003","1273.46","0.12","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br Cl N O4 -","- C30 H21 Br Cl N O4 -","- C60 H42 Br2 Cl2 N2 O8 -","2","1","","Zhang, Shao-Yun; Ruan, Gui-Yu; Geng, Zhi-Cong; Li, Nai-Kai; Lv, Ming; Wang, Yong; Wang, Xing-Wang","Organocatalytic regioselective asymmetric Michael addition of azlactones to o-hydroxy chalcone derivatives.","Organic & biomolecular chemistry","2015","13","20","5698","5709","10.1039/c5ob00121h","","","0.71073","MoKα","","0.0717","0.046","","","0.1069","0.115","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154489","8.6637","0.0007","15.5478","0.0012","11.0472","0.0009","90","","90","","90","","1488.1","0.2","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran","An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.","Organic & biomolecular chemistry","2015","13","24","6737","6741","10.1039/c5ob00518c","","","0.71073","MoKα","","0.0509","0.0489","","","0.1088","0.1099","","","","","","1.263","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154490","23.7902","0.0019","30.832","0.002","43.42","0.003","90","","90","","90","","31849","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB7","CB7","","- C56 H103 I2 N30 O29.5 -","- C56 H92 I2 N30 O29.535 -","- C896 H1472 I32 N480 O472.56 -","16","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.053","0.0404","","","0.1026","0.1117","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154491","35.892","0.003","13.475","0.001","34.752","0.003","90","","90","","90","","16808","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","CB7-guest","CB7-guest","","- C60 H98 F6 N30 O36 S2 -","- C60 H66 F6 N30 O35.0695 S2 -","- C480 H528 F48 N240 O280.556 S16 -","8","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.0859","0.0779","","","0.1595","0.1638","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154492","5.947","0.003","7.118","0.003","32.87","0.011","90","","90","","90","","1391.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric intramolecular aza-Henry reaction: facile synthesis of trans-2,3-disubstituted tetrahydroquinolines.","Organic & biomolecular chemistry","2015","13","24","6825","6831","10.1039/c5ob00795j","","","0.71073","MoKα","","0.0801","0.0385","","","0.0949","0.1243","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154493","5.14008","0.00006","9.60877","0.00009","18.4697","0.0002","90","","90","","90","","912.216","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N O6 S -","- C6 H13 N O6 S -","- C24 H52 N4 O24 S4 -","4","1","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","x-ray","0.71073","MoKα","","0.0293","0.0266","","","0.0799","0.0819","","","","","","1.172","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154494","4.709","0.0009","38.306","0.008","11.942","0.002","90","","90.36","0.03","90","","2154.1","0.7","120","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1008","0.084","","","0.2101","0.2231","","","","","","1.127","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154495","5.094","0.001","12.212","0.002","30.472","0.006","96.75","0.03","94.01","0.03","92.39","0.03","1875.5","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C30 H66 N4 O13 S2 -","- C30 H66 N4 O13 S2 -","- C60 H132 N8 O26 S4 -","2","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1915","0.1302","","","0.3225","0.3624","","","","","","1.102","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154496","16.1194","0.0003","8.0643","0.00015","16.6212","0.0003","90","","118.785","0.0007","90","","1893.64","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-phenylthio-N-(quinolin-8-yl)benzamide","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0412","","","","0.1013","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154497","7.84222","0.00014","10.50484","0.00019","12.7128","0.0003","98.844","0.001","95.2486","0.0011","107.102","0.001","978.67","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(quinolin-8-yl)benzamide","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C48 H40 N4 O6 S2 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0438","","","","0.1903","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154498","10.2496","0.00019","10.78136","0.00019","13.5184","0.0003","65.7836","0.001","78.6515","0.0011","89.8471","0.0012","1330.66","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(5-(4-methylbenzenesulfonyl)quinolin-8-yl)benzamide","","- C31 H26 N2 O5 S2 -","- C31 H26 N2 O5 S2 -","- C62 H52 N4 O10 S4 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0403","","","","0.1212","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154499","7.2995","0.0004","8.9313","0.0004","23.2132","0.0012","90","","90.8321","0.0017","90","","1513.2","0.13","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-(methylsulfanyl)-N-(quinolin-8-yl)benzamide","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","","0.71075","MoKα","","","0.0416","","","","0.109","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154500","13.9327","0.0012","5.8545","0.0005","18.9127","0.0015","90","","109.456","0.005","90","","1454.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Nath, Utpal; Banerjee, Ankush; Ghosh, Bidhan; Pan, Subhas Chandra","Organocatalytic asymmetric Michael addition of 1-acetylcyclohexene and 1-acetylcyclopentene to nitroolefins.","Organic & biomolecular chemistry","2015","13","25","7076","7083","10.1039/c5ob00878f","","","0.71073","MoKα","","0.1735","0.0901","","","0.1455","0.1667","","","","","","1.235","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154501","7.4874","0.0006","7.3181","0.0004","15.1101","0.0013","90","","103.139","0.005","90","","806.26","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0534","0.0454","","","0.1092","0.1164","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154502","7.9192","0.0002","14.304","0.0009","14.6004","0.0009","90","","90","","90","","1653.88","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0431","0.0399","","","0.0998","0.1029","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154503","9.1457","0.0004","21.3132","0.0009","9.5797","0.0004","90","","111.479","0.0012","90","","1737.63","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6b","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0398","0.0337","","","0.0879","0.0911","","","","","","1.116","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154504","10.3443","0.0005","9.3521","0.0004","17.9838","0.0008","90","","96.879","0.0015","90","","1727.25","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2a","","- C19 H17 N O S2 -","- C19.003 H17.006 N1.001 O S2 -","- C76.012 H68.024 N4.004 O4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0488","0.0375","","","0.0949","0.1039","","","","","","1.108","","","","has coordinates,has disorder","143737","2020-10-21","18:00:00",""
"7154505","12.8835","0.0011","13.3978","0.0011","15.0065","0.0012","74.581","0.004","88.333","0.004","85.714","0.004","2490","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F20 N5 O -","- C46 H15 F20 N5 O -","- C92 H30 F40 N10 O2 -","2","1","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.092","0.057","","","0.1443","0.1585","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154506","16.142","0.002","16.546","0.002","18.655","0.002","72.9","0.007","88.417","0.007","85.613","0.006","4748.2","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F18 N5 O -","- C46 H15 F18 N5 O -","- C184 H60 F72 N20 O4 -","4","2","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.128","0.0706","","","0.1919","0.2129","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154507","9.835","0.004","10.412","0.004","10.568","0.004","90","","97.195","0.006","90","","1073.7","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B N O2 -","- C25 H30 B N O2 -","- C50 H60 B2 N2 O4 -","2","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.0909","0.0537","","","0.0798","0.0903","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154508","13.048","0.002","10.7891","0.0019","12.787","0.002","90","","112.161","0.002","90","","1667.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B N O4 -","- C18 H20 B N O4 -","- C72 H80 B4 N4 O16 -","4","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.074","0.0634","","","0.1492","0.1547","","","","","","1.098","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154509","21.3422","0.0005","8.1975","0.0002","8.0145","0.0002","90","","90","","90","","1402.16","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Dichloro-3,5-diphenylpyridine","","- C17 H11 Cl2 N -","- C17 H11 Cl2 N -","- C68 H44 Cl8 N4 -","4","0.5","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0269","0.0255","","","0.0683","0.07","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154510","14.577","0.0003","10.7855","0.0003","7.6172","0.0002","90","","102.298","0.001","90","","1170.1","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2,6-dichloro-5-(4-tolyl)pyridine","","- C12 H8 Br Cl2 N -","- C12 H8 Br Cl2 N -","- C48 H32 Br4 Cl8 N4 -","4","1","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0264","0.0212","","","0.0528","0.0547","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154511","8.5739","0.0012","8.8346","0.0011","12.8819","0.0017","85.544","0.003","78.226","0.003","80.599","0.003","941.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Probe5","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C42 H40 N12 O2 -","2","1","","Mishra, Pratryush Kumar; Saha, Tanmoy; Talukdar, Pinaki","Hydrogen sulfide mediated cascade reaction forming an iminocoumarin: applications in fluorescent probe development and live-cell imaging.","Organic & biomolecular chemistry","2015","13","27","7430","7436","10.1039/c5ob00785b","","","0.71073","MoKα","","0.0672","0.0424","","","0.1241","0.1429","","","","","","0.947","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154512","7.9698","0.0013","11.8816","0.0019","18.669","0.003","92.975","0.002","96.585","0.002","104.742","0.002","1692.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N O2 S2 -","- C42 H35 N O2 S2 -","- C84 H70 N2 O4 S4 -","2","1","","Li, Ziyong; Han, Xie; Chen, Haiyan; Wu, Di; Hu, Fang; Liu, Sheng Hua; Yin, Jun","Construction of photoswitchable rotaxanes and catenanes containing dithienylethene fragments.","Organic & biomolecular chemistry","2015","13","26","7313","7322","10.1039/c5ob00864f","","","0.71073","MoKα","","0.0593","0.0475","","","0.1466","0.177","","","","","","1.085","","","","has coordinates,has disorder","301861","2025-08-22","11:12:24",""
"7154513","9.4761","0.0003","6.4856","0.0002","19.7055","0.0006","90","","113.13","0.002","90","","1113.71","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","1.54178","CuKα","","0.0725","0.0697","","","0.1829","0.1866","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154514","13.5756","0.0009","6.3249","0.0002","21.7126","0.0014","90","","103.223","0.002","90","","1814.91","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 2 allyl","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1676","0.0905","","","0.1933","0.24","","","","","","1.116","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154515","12.237","0.01","13.706","0.011","10.137","0.008","90","","110.864","0.016","90","","1589","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 1 CH3 allyl COPh PG RB","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1561","0.076","","","0.1989","0.2321","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154516","6.59","0.001","14.579","0.001","25.484","0.001","90","","90","","90","","2448.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Lenci, Elena; Innocenti, Riccardo; Menchi, Gloria; Faggi, Cristina; Trabocchi, Andrea","Two-step one-pot synthesis of dihydropyrazinones as Xaa-Ser dipeptide isosteres through morpholine acetal rearrangement.","Organic & biomolecular chemistry","2015","13","25","7013","7019","10.1039/c5ob00783f","","","1.54178","CuKα","","0.1352","0.108","","","0.2858","0.3385","","","","","","1.176","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154517","12.699","0.0004","9.0798","0.0003","16.4608","0.0005","90","","101.323","0.001","90","","1861.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-fluorophenyl)-8-methyl-4-(phenylamino)pyrano[3',4':5,6]pyrano[2,3-d]pyrimidin-6(5H)-one","","- C23 H16 F N3 O3 -","- C23 H16 F N3 O3 -","- C92 H64 F4 N12 O12 -","4","1","","Suresh, Lingala; Poornachandra, Y.; Kanakaraju, S.; Ganesh Kumar, C.; Chandramouli, G. V. P.","One-pot three-component domino protocol for the synthesis of novel pyrano[2,3-d]pyrimidines as antimicrobial and anti-biofilm agents.","Organic & biomolecular chemistry","2015","13","26","7294","7306","10.1039/c5ob00693g","","","0.71073","MoKα","","0.0736","0.0443","","","0.1191","0.1442","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154518","10.476","0.0001","8.883","0.0001","18.154","0.0002","90","","90","","90","","1689.38","0.03","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C68 H56 Br4 N4 O20 S4 -","4","1","","De Munck, Lode; Monleón, Alicia; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective alkynylation of benzo[e][1,2,3]-oxathiazine 2,2-dioxides catalysed by (R)-VAPOL-Zn complexes: synthesis of chiral propargylic cyclic sulfamidates.","Organic & biomolecular chemistry","2015","13","27","7393","7396","10.1039/c5ob01012h","","","0.71073","MoKα","","0.0404","0.0285","","","0.0799","0.1","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154519","28.643","0.006","11.259","0.002","19.703","0.004","90","","90.2","0.03","90","","6354","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H39.5 Cl N2 O1.25 -","- C39 H39 Cl N2 O1.25 -","- C312 H312 Cl8 N16 O10 -","8","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0919","0.0672","","","0.1703","0.187","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154520","11.315","0.002","11.329","0.002","17.137","0.003","77.58","0.03","83.63","0.03","66.83","0.03","1971.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H45 Cl4 N2 Rh -","- C44.5 H42 Cl4 N2 Rh -","- C89 H84 Cl8 N4 Rh2 -","2","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0965","0.0594","","","0.1428","0.2094","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154521","15.6931","0.0003","21.8725","0.0004","5.0383","0.0001","90","","90","","90","","1729.38","0.06","133","2","133","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0881","0.0946","","","","","","1.164","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154522","5.7917","0.0003","15.4852","0.0007","18.6976","0.0009","90","","90","","90","","1676.91","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0309","0.0296","","","0.0749","0.0759","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154523","19.775","0.006","18.874","0.008","16.723","0.004","90","","114.545","0.015","90","","5678","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-DEM-3NO2-TtBuPCorrCu","","","- C57.65 H57.65 Cl4.94 Cu N5 O6 -","- C57.647 H57.647 Cl4.941 Cu N5 O6 -","- C230.588 H230.588 Cl19.764 Cu4 N20 O24 -","4","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.1248","0.0742","","","0.1916","0.2211","","","","","","1.026","","","","has coordinates,has disorder","138463","2020-10-21","18:00:00",""
"7154524","10.989","0.003","12.217","0.0018","18.019","0.003","95.03","0.01","107.036","0.015","91.279","0.007","2301.1","0.8","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl3 Cu N5 O3 -","- C52 H51 Cl3 Cu N5 O3 -","- C104 H102 Cl6 Cu2 N10 O6 -","2","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.0936","0.0676","","","0.1878","0.2056","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154525","20.3839","0.0014","6.2114","0.0003","25.511","0.0016","90","","97.442","0.006","90","","3202.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.54184","CuKα","","0.0773","0.0649","","","0.173","0.1856","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154526","6.2083","0.0002","12.6788","0.0005","21.052","0.0009","90","","91.476","0.003","90","","1656.53","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","0.71073","MoKα","","0.1318","0.0781","","","0.1221","0.1385","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154527","8.744","0.0003","10.4501","0.0004","20.1688","0.0006","100.027","0.003","98.395","0.003","104.657","0.003","1720.44","0.11","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C76 H100 N4 O12 -","2","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.5418","CuKα","","0.0451","0.0417","","","0.1187","0.1229","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154528","7.071","0.003","30.185","0.011","12.789","0.005","90","","93.497","0.006","90","","2724.6","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-phenylpyridine derived five-membered manganacycle","","- C15 H8 Mn N O4 -","- C15 H8 Mn N O4 -","- C120 H64 Mn8 N8 O32 -","8","2","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.0666","0.0557","","","0.1381","0.145","","","","","","1.112","","","","has coordinates","143756","2020-10-21","18:00:00",""
"7154529","7.77818","0.00014","13.158","0.0003","16.9759","0.0003","90","","90","","90","","1737.4","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bypro179a","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.034","","","","0.0671","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154530","7.63463","0.00014","11.4385","0.0002","19.919","0.0004","90","","90","","90","","1739.5","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","179","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.0455","","","","0.0952","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154531","11.917","0.003","15.959","0.004","25.657","0.005","72.399","0.015","76.618","0.015","71.646","0.012","4364.2","1.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Br2 O2 Si2 -","- C46 H42 Br2 O2 Si2 -","- C184 H168 Br8 O8 Si8 -","4","2","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.0906","0.0741","","","0.1773","0.1898","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154532","11.361","0.005","12.402","0.005","15.056","0.005","72.031","0.018","82.67","0.02","89.49","0.03","2000.4","1.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 O3 Si2 -","- C49 H44 O3 Si2 -","- C98 H88 O6 Si4 -","2","1","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.148","0.1175","","","0.3062","0.3362","","","","","","1.114","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154533","8.6074","0.0005","9.9108","0.0005","15.7203","0.0009","80.998","0.003","89.343","0.003","78.842","0.003","1299.24","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C64 H56 N8 O4 -","2","1","","Sun, Yan-Hua; Xiong, Yu; Peng, Chu-Qin; Li, Wu; Xiao, Jun-An; Yang, Hua","Highly stereoselective construction of novel dispirooxindole-imidazolidines via self-1,3-dipolar cyclization of ketimines.","Organic & biomolecular chemistry","2015","13","29","7907","7910","10.1039/c5ob00954e","","","0.71073","MoKα","","0.0586","0.0482","","","0.1324","0.1422","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154534","9.2098","0.0001","8.357","0.0001","14.8849","0.0002","90","","105.378","0.001","90","","1104.62","0.02","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C56 H56 N4 -","2","1","","Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng","Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.","Organic & biomolecular chemistry","2015","13","29","7993","8000","10.1039/c5ob00815h","","","1.54178","CuKα","","0.0446","0.044","","","0.1186","0.1193","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154535","6.6012","0.0004","8.1654","0.0006","19.8307","0.0013","84.197","0.005","84.853","0.005","85.592","0.005","1056.66","0.12","190","2","190","2","","","","","","","fungus Chaunopycnis sp.","4","P 1","P 1","1","","chaunolidine C","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","2","","Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.","Organic & biomolecular chemistry","2015","13","28","7795","7802","10.1039/c5ob01058f","","x-ray","1.54184","CuKα","","0.092","0.0658","","","0.1664","0.1858","","","","","","1.031","","","","has coordinates","143758","2020-10-21","18:00:00",""
"7154536","10.554","0.002","12.782","0.003","12.959","0.003","79.295","0.004","67.9","0.004","76.462","0.004","1565.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O3 P2 -","- C34 H26 O3 P2 -","- C68 H52 O6 P4 -","2","1","","Hu, Gaobo; Zhang, Yun; Su, Jue; Li, Zezhou; Gao, Yuxing; Zhao, Yufen","Ag-mediated cascade decarboxylative coupling and annulation: a convenient route to 2-phosphinobenzo[b]phosphole oxides.","Organic & biomolecular chemistry","2015","13","30","8221","8231","10.1039/c5ob00959f","","","0.71073","MoKα","","0.0576","0.0519","","","0.1347","0.1387","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154537","9.8463","0.0002","9.1987","0.0002","18.7908","0.0005","90","","92.473","0.001","90","","1700.36","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O5 S Si -","- C15 H17 N O5 S Si -","- C60 H68 N4 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0402","0.0358","","","0.0977","0.1011","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154538","13.5825","0.0003","10.5322","0.0002","12.858","0.0003","90","","101.968","0.002","90","","1799.4","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O7 S Si -","- C15 H16 N2 O7 S Si -","- C60 H64 N8 O28 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0437","0.0367","","","0.0961","0.1016","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154539","5.3555","0.0006","12.807","0.0014","16.0563","0.0015","90","","96.773","0.008","90","","1093.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.5418","CuKα","","0.0968","0.0703","","","0.1827","0.2202","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154540","20.5236","0.0009","7.6948","0.0003","18.8253","0.0009","90","","96.529","0.002","90","","2953.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C144 H108 N12 O36 -","12","3","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0465","0.0441","","","0.1187","0.1211","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154541","13.2148","0.0002","10.9938","0.0002","12.0527","0.0002","90","","111.879","0.001","90","","1624.91","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 S Si -","- C14 H16 N2 O5 S Si -","- C56 H64 N8 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0313","0.0289","","","0.0791","0.0807","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154542","15.6137","0.0004","7.7484","0.0002","21.2252","0.0005","90","","110.192","0.001","90","","2410.03","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","2","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0475","0.0448","","","0.1116","0.1131","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154543","7.4947","0.0011","13.0618","0.0018","21.098","0.003","90","","90","","90","","2065.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-methyl-3-nitropyrazolo[1,5-a]quinoline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0876","0.084","","","0.1622","0.1637","","","","","","1.399","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154544","7.1508","0.001","9.6154","0.0014","10.0654","0.0014","82.965","0.002","70.019","0.002","87.23","0.002","645.5","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,10-dimethyl-3-nitro-10H-pyrazolo[1',5':1,6]pyrido[2,3-b]indole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0666","0.0568","","","0.1339","0.1411","","","","","","1.155","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154545","8.7342","0.0002","12.9336","0.0003","27.4037","0.0005","90","","90","","90","","3095.65","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AntValA2DNS","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","","Saura, A. Vanessa; Marín, María J; Burguete, M. Isabel; Russell, David A.; Galindo, Francisco; Luis, Santiago V.","The synthesis of new fluorescent bichromophoric compounds as ratiometric pH probes for intracellular measurements.","Organic & biomolecular chemistry","2015","13","28","7736","7749","10.1039/c5ob00704f","","x-ray","1.54184","CuKα","","0.0321","0.0312","","","0.0838","0.0847","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154546","8.42","0.0012","10.1497","0.0007","11.203","0.0017","66.531","0.011","88.054","0.012","88.057","0.01","877.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 4-((2-bromophenyl)amino)quinoline-2,3-dicarboxylate","","- C19 H16 Br N2 O4 -","- C19 H16 Br N2 O4 -","- C38 H32 Br2 N4 O8 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","0.71073","MoKα","","0.0717","0.0453","","","0.1068","0.1224","","","","","","1.032","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154547","19.3579","0.0011","10.6509","0.0006","16.8297","0.0014","90","","94.958","0.007","90","","3456.9","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminoquinoline","dimethyl 4-(benzylamino)quinoline-2,3-dicarboxylate","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","1.5418","CuKα","","0.0888","0.0564","","","0.1409","0.1702","","","","","","0.934","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154548","17.4761","0.0005","8.0976","0.0002","22.1564","0.0007","90","","111.715","0.001","90","","2912.95","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F2 N5 O8 S -","- C31 H24 B F2 N5 O8 S -","- C124 H96 B4 F8 N20 O32 S4 -","4","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.0448","0.0434","","","0.1142","0.1156","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154549","14.8291","0.0004","12.6719","0.0003","21.3493","0.0006","90","","90","","90","","4011.81","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H17 B Br Cl2 F2 N3 O2 -","- C19 H17 B Br F2 N3 O2 -","- C152 H136 B8 Br8 F16 N24 O16 -","8","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.2562","0.2522","","","0.6214","0.6287","","","","","","6.502","","","","has coordinates","153261","2020-10-21","18:00:00",""
"7154550","8.1907","0.0016","9.4346","0.0019","32.024","0.006","90","","93.32","0.03","90","","2470.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.114","0.0756","","","0.146","0.1663","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154551","11.299","0.002","11.724","0.002","14.051","0.003","104.1","0.03","103.64","0.03","108.92","0.03","1604","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C72 H72 N8 O6 S2 -","2","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.064","0.0554","","","0.1522","0.1607","","","","","","1.051","","","","has coordinates","153263","2020-10-21","18:00:00",""
"7154552","10.1192","0.0002","11.3017","0.0002","25.1913","0.0005","90","","97.8403","0.0009","90","","2854.05","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol","","- C37 H36 O3 S -","- C36.154 H34.308 O2.718 S -","- C144.616 H137.232 O10.872 S4 -","4","1","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0874","0.0522","","","0.1261","0.1429","","","","","","1.036","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154553","11.9644","0.0003","12.3239","0.0004","13.9643","0.0005","86.2826","0.001","65.3443","0.0012","88.544","0.003","1867.35","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,1'-(4,4'-(2-(Hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))diethanone","","- C23 H20 O5 S -","- C22.6625 H19.325 O4.7795 S -","- C90.65 H77.3 O19.118 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0955","0.0585","","","0.1405","0.1575","","","","","","1.022","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154554","10.864","0.002","10.911","0.002","30.296","0.006","86.07","0.03","88.87","0.03","62.68","0.03","3182.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-((5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)acetic acid","","- C39 H38 O5 S -","- C39 H38 O5 S -","- C156 H152 O20 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.1368","0.1028","","","0.2286","0.2503","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154555","7.8734","0.0002","17.4148","0.0005","14.5347","0.0004","90","","91.013","0.003","90","","1992.59","0.09","125","30","125","30","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H38 N O15 -","- C43 H38 N4 O15 -","- C86 H76 N8 O30 -","2","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","","0.71073","MoKα","","0.0554","0.0454","","","0.1004","0.1087","","","","","","1.131","","","","has coordinates","204143","2020-10-21","18:00:00",""
"7154556","9.3233","0.0006","10.2871","0.0008","26.846","0.002","90","","90","","90","","2574.8","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O5 -","- C29 H34 O5 -","- C116 H136 O20 -","4","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","x-ray","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1273","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154557","7.4496","0.0001","11.1966","0.0001","26.6185","0.0002","90","","90","","90","","2220.25","0.04","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-((S,E)-4-iodobut-3-en-2-yl)-3-methoxy-5-methyltetrahydro-2H-pyran-2-one","","- C17 H16 I O4 Si -","- C17 H16 I O4 Si -","- C68 H64 I4 O16 Si4 -","4","1","","Lu, Hai-Hua; Hinkelmann, Bettina; Tautz, Thomas; Li, Jun; Sasse, Florenz; Franke, Raimo; Kalesse, Markus","Paleo-soraphens: chemical total syntheses and biological studies.","Organic & biomolecular chemistry","2015","13","29","8029","8036","10.1039/c5ob01249j","","","1.54187","CuKα","","0.0636","0.0524","","","0.1471","0.154","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154558","7.73264","0.00017","8.92045","0.00017","20.1079","0.0004","90","","90","","90","","1387.02","0.05","173","0.3","173","0.3","","","","","","","Curcuma phaeocaulis Valeton","3","P 21 21 21","P 2ac 2ab","19","(1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione","phasalvione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng","Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.","Organic & biomolecular chemistry","2015","13","30","8349","8358","10.1039/c5ob00964b","","x-ray","1.54184","CuKα","","0.0296","0.029","","","0.0775","0.0781","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:24",""
"7154559","16.4668","0.001","19.1843","0.0012","21.8267","0.0013","90","","110.312","0.002","90","","6466.4","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cl4 N26 O23 Zn -","- C42 H56 Cl4 N26 O17 Zn -","- C168 H224 Cl16 N104 O68 Zn4 -","4","1","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.0953","0.0751","","","0.2273","0.2428","","","","","","1.02","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7154560","23.4746","0.0018","10.5039","0.0008","15.455","0.002","90","","129.108","0.002","90","","2957","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H58 Cl4 N26 O18 Zn -","- C42 H44 Cl4 N26 O12 Zn -","- C84 H88 Cl8 N52 O24 Zn2 -","2","0.25","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.1063","0.093","","","0.2908","0.3129","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154561","6.8274","0.0002","8.3498","0.0002","14.5138","0.0004","90.1471","0.001","101.323","0.001","107.632","0.0009","771.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C34 H30 Br2 N4 O2 -","2","1","","Manna, Susanta Kumar; Mandal, Arabinda; Mondal, Suresh Kumar; Adak, Arup Kr; Jana, Akash; Das, Somnath; Chattopadhyay, Sourav; Roy, Somenath; Ghorai, Shyamal Kr; Samanta, Shubhankar; Hossain, Maidul; Baidya, Mahiuddin","Pyrido[1,2-a]pyrimidinium ions - a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties.","Organic & biomolecular chemistry","2015","13","29","8037","8047","10.1039/c5ob01082a","","","0.71073","MoKα","","0.0406","0.0394","","","0.1194","0.1211","","","","","","1.135","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154562","7.4871","0.0008","12.1721","0.0012","16.4565","0.0017","90","","94.653","0.002","90","","1494.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(8-dimethylaminonaphth-1-yl)aminoacetic acid hydrobromide","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.058","0.0448","","","0.1157","0.1213","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154563","7.0938","0.0003","11.5502","0.0005","18.1965","0.0009","90","","90","","90","","1490.93","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,1,3-Trimethyl-2,3-dihydro-1H-perimidin-1-ium bromide","","","- C14 H21 Br N2 O2 -","- C14 H21 Br N2 O2 -","- C56 H84 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.0275","0.0228","","","0.046","0.0476","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154564","10.919","0.002","21.054","","21.054","0.004","90","","90","","90","","4840.1","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","2","","Huang, Zhimei; Hu, Junhao; Gong, Yuefa","Formation and aromatization of strained bicyclic pyrazolidines via tandem reaction of alkyl 2-aroyl-1-chlorocyclopropanecarboxylates with acylhydrazones.","Organic & biomolecular chemistry","2015","13","31","8561","8566","10.1039/c5ob01199j","","","0.71073","MoKα","","0.0723","0.0392","","","0.0861","0.1016","","","","","","1.011","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154565","4.4366","0.0004","7.095","0.0007","14.0927","0.0014","91.198","0.003","95.948","0.002","97.185","0.002","437.49","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","1","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","","0.71073","MoKα","","0.0247","0.0218","","","0.0673","0.084","","","","","","1.269","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154566","8.369","0.003","10.336","0.002","21.421","0.007","90","","90","","90","","1853","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 N2 S6 -","- C18 H10 N2 S6 -","- C72 H40 N8 S24 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0847","0.0614","","","0.1344","0.1443","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154567","6.8237","0.0005","8.5474","0.0007","22.3448","0.0015","90","","90","","90","","1303.26","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0556","0.0328","","","0.0721","0.0798","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154568","9.8293","0.0005","10.139","0.0005","15.9153","0.0007","90","","90","","90","","1586.11","0.13","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N S4 Ti -","- C15 H15 N S4 Ti -","- C60 H60 N4 S16 Ti4 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0271","0.0259","","","0.0663","0.0676","","","","","","0.722","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154569","10.4066","0.0003","7.3334","0.0002","12.2408","0.0004","90","","104.422","0.002","90","","904.73","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H5 N O S4 -","- C6 H5 N O S4 -","- C24 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0282","0.0256","","","0.0616","0.0627","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154570","9.5493","0.0005","8.4524","0.0005","14.3009","0.0008","90","","104.898","0.003","90","","1115.49","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N O S4 -","- C10 H5 N O S4 -","- C40 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.037","0.0315","","","0.075","0.0782","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154571","8.5086","0.0016","9.106","0.003","11.589","0.002","90","","110.442","0.008","90","","841.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 S3 -","- C6 H5 N O2 S3 -","- C24 H20 N4 O8 S12 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0384","0.033","","","0.0787","0.0816","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154572","7.3417","0.001","10.0649","0.0014","10.3982","0.0014","75.006","0.004","89.015","0.004","78.726","0.004","727.42","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F4 N O -","- C17 H13 F4 N O -","- C34 H26 F8 N2 O2 -","2","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.0819","0.0481","","","0.1194","0.1373","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154573","12.8017","0.0008","9.6398","0.0006","15.4464","0.001","90","","105.362","0.004","90","","1838.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1246","0.0563","","","0.1264","0.1525","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154574","16.972","0.003","11.3201","0.0016","18.722","0.003","90","","98.676","0.005","90","","3555.8","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C176 H128 F24 N8 O8 -","8","2","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1296","0.0842","","","0.2066","0.2331","","","","","","1.149","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154575","12.1151","0.0006","11.4278","0.0005","18.5077","0.0009","90","","93.294","0.002","90","","2558.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","OBR-C15H18N3O6P","","- C17 H20 Cl6 N3 O6 P -","- C17 H20 Cl6 N3 O6 P -","- C68 H80 Cl24 N12 O24 P4 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","An efficient one pot regioselective synthesis of a 3,3'-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones.","Organic & biomolecular chemistry","2015","13","32","8669","8675","10.1039/c5ob01020a","","","0.71073","MoKα","","0.0999","0.0776","","","0.1672","0.1794","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154576","9.0122","0.0004","10.2941","0.0006","10.6266","0.0006","75.079","0.005","73.655","0.004","75.04","0.005","895.6","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C44 H40 O8 S2 -","2","1","","Barrett, Matthew J.; Davies, Paul W.; Grainger, Richard S.","Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation.","Organic & biomolecular chemistry","2015","13","32","8676","8686","10.1039/c5ob01241d","","","1.54184","CuKα","","0.0309","0.029","","","0.0722","0.0733","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154577","11.8946","0.0017","9.771","0.0006","14.6459","0.0014","90","","94.988","0.009","90","","1695.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F3 -","- C22 H17 F3 -","- C88 H68 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.71073","MoKα","","0.1158","0.0605","","","0.0984","0.1186","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154578","9.335","0.0004","10.6357","0.0005","11.4303","0.0005","73.153","0.004","87.926","0.004","76.728","0.004","1056.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Cl F3 -","- C26 H24 Cl F3 -","- C52 H48 Cl2 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0428","0.0396","","","0.1067","0.1099","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154579","9.177","0.0004","10.3545","0.0006","11.2833","0.0005","76.862","0.004","87.228","0.003","75.716","0.004","1011.8","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 F3 -","- C26 H25 F3 -","- C52 H50 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.7107","MoKα","","0.0572","0.0435","","","0.1002","0.1075","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154580","10.5842","0.0004","9.2772","0.0003","17.8208","0.0006","90","","90.018","0.003","90","","1749.86","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C88 H64 Cl4 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0442","0.0356","","","0.0894","0.0983","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154581","8.9801","0.0003","11.8644","0.0005","12.6622","0.0006","64.998","0.004","71.043","0.004","80.66","0.003","1155.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl F3 O4 -","- C26 H24 Cl F3 O4 -","- C52 H48 Cl2 F6 O8 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.053","0.0424","","","0.1067","0.1106","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154582","14.1449","0.0003","7.958","0.00016","16.5726","0.0004","90","","99.274","0.002","90","","1841.11","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 O Si -","- C19 H21 F3 O Si -","- C76 H84 F12 O4 Si4 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.5418","CuKα","","0.0363","0.0327","","","0.0887","0.0933","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154583","12.6814","0.0015","5.7264","0.0006","27.718","0.003","90","","99.174","0.005","90","","1987.1","0.4","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","2","","Veits, Gesine K.; Wenz, Donald R.; Palmer, Leoni I.; St Amant, André H; Hein, Jason E.; Read de Alaniz, Javier","Cascade rearrangement of furylcarbinols with hydroxylamines: practical access to densely functionalized cyclopentane derivatives.","Organic & biomolecular chemistry","2015","13","31","8465","8469","10.1039/c5ob00944h","","","0.71073","MoKα","","0.1211","0.0649","","","0.1268","0.1506","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154584","15.3927","0.0007","11.141","0.0005","18.1915","0.0009","90","","104.29","0.0016","90","","3023.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 S2 -","- C34 H32 Br2 S2 -","- C136 H128 Br8 S8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0381","0.0292","","","0.0718","0.0758","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154585","8.3105","0.0007","9.161","0.0008","17.2363","0.0015","90","","91.798","0.002","90","","1311.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0487","0.0453","","","0.1133","0.116","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154586","9.016","0.0009","12.6459","0.0013","12.1727","0.0012","90","","96.21","0.002","90","","1379.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0518","0.0451","","","0.1184","0.1235","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154587","8.629","0.002","10.44","0.003","12.379","0.004","80.505","0.011","76.238","0.011","65.983","0.009","986.5","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","2","","Dai, Jie; Ren, Wenlong; Wang, Haining; Shi, Yian","A facile approach to β-amino acid derivatives via palladium-catalyzed hydrocarboxylation of enimides with formic acid.","Organic & biomolecular chemistry","2015","13","31","8429","8432","10.1039/c5ob01304f","","","0.71073","MoKα","","0.0553","0.0492","","","0.1175","0.1215","","","","","","1.127","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154588","15.407","0.0007","17.9","0.0009","22.8419","0.0011","95.841","0.001","109.235","0.001","99.182","0.001","5790.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N O5 S2 -","- C33 H28 N O5 S2 -","- C264 H224 N8 O40 S16 -","8","4","","Bounar, Haniya; Liu, Zhenhua; Zhang, Lin; Guan, Xiaoxue; Yang, Zonglian; Liao, Peiqiu; Bi, Xihe; Li, Xingqi","Silver-catalyzed cascade reaction of tosylmethyl isocyanide (TosMIC) with propargylic alcohols to (E)-vinyl sulfones: dual roles of TosMIC.","Organic & biomolecular chemistry","2015","13","32","8723","8728","10.1039/c5ob01129a","","","0.71073","MoKα","","0.1198","0.0711","","","0.1751","0.2115","","","","","","1.01","","","","has coordinates","153284","2020-10-21","18:00:00",""
"7154589","8.788","0.003","17.421","0.006","11.688","0.004","90","","109.885","0.004","90","","1682.7","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,5-dimethylphenyl)-2-(phenyldiazenyl)benzamide","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.1021","0.08","","","0.1504","0.1615","","","","","","1.24","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154590","24.909","0.002","9.2315","0.0008","6.9138","0.0006","90","","90","","90","","1589.8","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.","Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.","Organic & biomolecular chemistry","2015","13","32","8729","8733","10.1039/c5ob01077b","","","0.71073","MoKα","","0.0427","0.0404","","","0.1063","0.1087","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154591","7.6266","0.0008","18.5193","0.0018","10.0793","0.001","90","","108.801","0.005","90","","1347.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.054","0.0405","","","0.1216","0.1389","","","","","","0.882","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154592","8.1792","0.0003","8.2361","0.0003","11.9209","0.0004","91.062","0.002","95.422","0.002","119.402","0.002","694.53","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.0551","0.0445","","","0.1168","0.1311","","","","","","0.639","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154593","14.356","0.004","8.145","0.002","16.636","0.004","90","","96.488","0.004","90","","1932.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br N3 O -","- C21 H22 Br N3 O -","- C84 H88 Br4 N12 O4 -","4","1","","Itoh, Kennosuke; Kato, Ryo; Kinugawa, Daito; Kamiya, Hideaki; Kudo, Ryuki; Hasegawa, Masayuki; Fujii, Hideaki; Suga, Hiroyuki","Photochemically-induced C-C bond formation between tertiary amines and nitrones.","Organic & biomolecular chemistry","2015","13","33","8919","8924","10.1039/c5ob01277e","","","0.71073","MoKα","","0.0445","0.0303","","","0.0712","0.0748","","","","","","1.204","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154594","10.8982","0.0005","37.3563","0.0016","17.593","0.0008","90","","99.613","0.002","90","","7061.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C420 H252 -","14","3.5","","Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I.; Girichev, Georgiy V.","1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.","Organic & biomolecular chemistry","2015","13","33","8893","8905","10.1039/c5ob01078k","","","1.54178","CuKα","","0.0416","0.0361","","","0.0923","0.0964","","","","","","1.012","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154595","10.3258","0.0009","17.5826","0.0015","13.7351","0.0012","90","","101.789","0.001","90","","2441.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Sudhakar, Gangarajula; Reddy, Karla Janardhan; Nanubolu, Jagadesh Babu","Nazarov cyclization of dienylaziridines: synthesis of cyclopentadienyl/hydrinedienyl/indenyl glycines.","Organic & biomolecular chemistry","2015","13","33","8875","8885","10.1039/c5ob01219h","","","0.71073","MoKα","","0.0531","0.0481","","","0.1402","0.1481","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154596","11.1245","0.001","11.5825","0.0011","14.9885","0.0014","90","","107.083","0.003","90","","1846.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 O3 -","- C24 H15 F N2 O3 -","- C96 H60 F4 N8 O12 -","4","1","","Liao, Fu-Min; Liu, Yun-Lin; Yu, Jin-Sheng; Zhou, Feng; Zhou, Jian","An efficient catalyst-free Mukaiyama-aldol reaction of fluorinated enol silyl ethers with tryptanthrin.","Organic & biomolecular chemistry","2015","13","33","8906","8911","10.1039/c5ob01125f","","","0.71073","MoKα","","0.0844","0.0412","","","0.0819","0.1011","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154597","10.687","0.0004","9.1043","0.0003","21.0968","0.0006","90","","98.623","0.003","90","","2029.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tert-butyl)-1-(4-chlorophenethyl)-5-oxo-2-(pyridin-3-yl)pyrrolidine-2-carboxamide","","- C22 H26 Cl N3 O2 -","- C22 H26 Cl N3 O2 -","- C88 H104 Cl4 N12 O8 -","4","1","","Polindara-García, Luis A; Montesinos-Miguel, Dario; Vazquez, Alfredo","An efficient microwave-assisted synthesis of cotinine and iso-cotinine analogs from an Ugi-4CR approach.","Organic & biomolecular chemistry","2015","13","34","9065","9071","10.1039/c5ob01170a","","x-ray","1.54184","CuKα","","0.0532","0.0409","","","0.1056","0.1276","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154598","13.1515","0.0008","9.4791","0.0004","14.8569","0.0008","90","","90","","90","","1852.13","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4aR*,8aS*)-8-hydroxy-2-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6(2H,8aH)-dione","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Medvedev, J. J.; Meleshina, M. V.; Panikorovskii, T. L.; Schneider, C.; Nikolaev, V. A.","Domino reactions of diazodicarbonyl compounds with α,β-unsaturated δ-amino esters: a convenient way towards 2-oxopiperidines, dihydropyridinones and isoquinolinediones.","Organic & biomolecular chemistry","2015","13","34","9107","9117","10.1039/c5ob01197c","","","0.7107","MoKα","","0.0518","0.0446","","","0.106","0.1129","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154599","7.9798","0.0013","8.2157","0.0014","11.2639","0.0018","91.83","0.002","96.597","0.003","110.961","0.002","682.9","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 I N2 S -","- C14 H11 I N2 S -","- C28 H22 I2 N4 S2 -","2","1","","Liu, Shan; Xi, Hailing; Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Wu, Anxin","Organopromoted direct synthesis of 6-iodo-3-methylthioimidazo[1,2-a]pyridines via convergent integration of three self-sorting domino sequences.","Organic & biomolecular chemistry","2015","13","33","8807","8811","10.1039/c5ob01313e","","","0.71073","MoKα","","0.0316","0.0296","","","0.0943","0.0967","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154600","10.412","0.003","7.85","0.003","17.427","0.006","90","","105.304","0.006","90","","1373.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C58 H82 N2 O4 Se2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0342","0.032","","","0.0835","0.0902","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154601","5.8067","0.0018","13.672","0.004","13.807","0.004","90","","90.852","0.006","90","","1096","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0302","0.0281","","","0.0747","0.0774","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154602","8.5898","0.0017","10.768","0.002","28.159","0.006","90","","90","","90","","2604.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O2 Se -","- C28 H37 N O2 Se -","- C112 H148 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.044","0.0394","","","0.1064","0.1096","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154603","12.295","0.002","13.5593","0.0019","15.728","0.003","90","","90","","90","","2622","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O2 Se -","- C26 H41 N O2 Se -","- C104 H164 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0582","0.0356","","","0.0706","0.08","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154604","6.517","0.003","12.303","0.005","12.943","0.005","90","","100.402","0.007","90","","1020.7","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C44 H70 N2 O4 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0287","0.0278","","","0.0728","0.0739","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154605","8.8571","0.0008","15.0597","0.0014","15.5921","0.0014","90","","90","","90","","2079.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O2 -","- C22 H32 Cl N O2 -","- C88 H128 Cl4 N4 O8 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0268","0.0249","","","0.0633","0.0649","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154606","8.7862","0.0003","20.9598","0.0007","8.5716","0.0003","90","","117.059","0.002","90","","1405.73","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,2-dioxo-6-phenyl-1H,3H-pyrazolo[1,5-c][1,3]thiazole-7-carboxylate","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.0561","0.0408","","","0.1048","0.1105","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154607","12.8055","0.0017","14.5445","0.0019","14.594","0.002","98.06","0.006","99.289","0.007","115.517","0.006","2352.7","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4aR,7aR,8aR)-Dimethyl 8-benzyl-5,7-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-1H,3H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyridine-2,3-dicarboxylate","","- C26 H23 N3 O6 -","- C26 H23 N3 O6 -","- C104 H92 N12 O24 -","4","2","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.1744","0.0614","","","0.1206","0.1581","","","","","","0.872","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154608","17.0052","0.0007","17.3045","0.0008","19.3461","0.0008","74.882","0.004","64.37","0.004","64.823","0.004","4624.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N6 O4 -","- C20 H14 N6 O4 -","- C200 H140 N60 O40 -","10","5","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","x-ray","0.71073","MoKα","","0.0904","0.053","","","0.1011","0.1183","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154609","23.897","0.017","6.42","0.005","8.292","0.006","90","","95.275","0.011","90","","1266.8","1.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H9 N3 O2 -","- C16 H9 N3 O2 -","- C64 H36 N12 O8 -","4","1","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","","0.71073","MoKα","","0.0784","0.0462","","","0.1095","0.1313","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154610","16.3644","0.0006","15.9689","0.0006","12.8284","0.0005","90","","90","","90","","3352.3","0.2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N O9 P S -","- C34 H36 N O9 P S -","- C136 H144 N4 O36 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71073","MoKα","","0.0741","0.0494","","0.052","0.0512","0.0511","","","","","","1.0721","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154611","10.2628","0.0005","8.9164","0.0004","18.5939","0.0009","90","","105.023","0.005","90","","1643.32","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H40 N O9 P S -","- C31 H40 N O9 P S -","- C62 H80 N2 O18 P2 S2 -","2","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.0738","0.0511","","0.0546","0.0436","0.0406","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154612","11.8008","0.0005","14.3566","0.0008","16.6799","0.0011","90","","90","","90","","2825.9","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N O8 P S -","- C27 H28 N O8 P S -","- C108 H112 N4 O32 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.1498","0.0788","","0.0806","0.0595","0.0536","","","","","","1.1191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154613","6.9629","0.0013","10.231","0.003","14.781","0.002","102.726","0.018","97.404","0.016","94.658","0.018","1012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O4 S2 -","- C18 H21 N3 O4 S2 -","- C36 H42 N6 O8 S4 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Singh, Manish Kumar; Upadhyay, K. K.","A radical approach for fluorescent turn 'on' detection, differentiation and bioimaging of methanol.","Organic & biomolecular chemistry","2015","13","33","8822","8826","10.1039/c5ob01333j","","","0.71073","MoKα","","0.1294","0.0574","","","0.0556","0.0712","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154614","7.621","0.002","13.163","0.004","23.299","0.007","90","","90","","90","","2337.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O5 Se Si -","- C17 H28 N2 O5 Se Si -","- C68 H112 N8 O20 Se4 Si4 -","4","1","","Kogami, Masakazu; Koketsu, Mamoru","An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).","Organic & biomolecular chemistry","2015","13","36","9405","9417","10.1039/c5ob01316j","","","0.71075","MoKα","","0.1599","0.1062","","","0.2754","0.3156","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154615","12.239","0.002","15.019","0.003","20.059","0.003","90","","101.801","0.011","90","","3609.3","1.1","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,15,22-Tri-tert-butyl-9,18,25-trimethoxy[3.3.1]metacyclophane-2,11- dione","","- C40 H52 O5 -","- C40 H52 O5 -","- C160 H208 O20 -","4","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0485","0.0414","","","0.1096","0.1124","","","","","","1.05","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154616","25.2718","0.0005","13.4859","0.0003","17.4972","0.0004","90","","90","","90","","5963.3","0.2","123","","123","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","15,35,55-tri-tert-butyl-12-hydroxy-1-(1,3)-benzena-3,5(2,7) benzofuranacyclohexaphane","","- C37 H42 O3 -","- C37 H42 O3 -","- C296 H336 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0651","0.0444","","","0.0938","0.1018","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154617","17.5245","0.0003","13.6997","0.0003","26.7366","0.0005","90","","104.033","0.007","90","","6227.4","0.3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15,35,55-tri-tert-butyl-12-methoxy-1-(1,3)- benzena-3,5-(2,7)benzofurana-cyclohexaphane","","- C38 H44 O3 -","- C38 H44 O3 -","- C304 H352 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0777","0.0629","","","0.1541","0.1638","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154618","9.661","0.01","18.921","0.019","35.7","0.04","90","","90","","90","","6526","12","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 O2 Si5 -","- C26 H50 O2 Si5 -","- C208 H400 O16 Si40 -","8","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.1718","0.0578","","","0.1258","0.1735","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154619","11.587","0.009","12.882","0.01","13.076","0.01","89.35","0.009","65.871","0.009","74.849","0.009","1709","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O Si5 -","- C30 H50 O Si5 -","- C60 H100 O2 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0523","0.0407","","","0.1271","0.1422","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154620","9.7059","0.0011","12.3889","0.0014","14.2286","0.0016","93.485","0.002","91.21","0.002","97.443","0.002","1692.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O3 Si5 -","- C27 H50 N2 O3 Si5 -","- C54 H100 N4 O6 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.059","0.0418","","","0.126","0.1423","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154621","14.925","0.012","11.801","0.008","18.571","0.014","90","","110.765","0.016","90","","3058","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H50 N2 Si6 -","- C20 H50 N2 Si6 -","- C80 H200 N8 Si24 -","4","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0768","0.0451","","","0.1153","0.134","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154622","10.2089","0.0008","6.5207","0.0006","13.9304","0.0011","90","","98.383","0.007","90","","917.43","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6aR,7S,10aS)-2-bromo-7-(4-chlorophenyl)-6a-nitro-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C38 H30 Br2 Cl2 N2 O8 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective cascade double Michael addition of 3-nitro-2H-chromenes and acyclic enones: efficient synthesis of functionalized tricyclic chroman derivatives.","Organic & biomolecular chemistry","2015","13","37","9600","9609","10.1039/c5ob01211b","","","1.54184","CuKα","","0.1151","0.0687","","","0.1488","0.1798","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154623","6.4981","0.0019","11.985","0.004","23.813","0.007","90","","90","","90","","1854.5","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sa3912","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic base-promoted enantioselective electrophilic cyanation of β-keto esters by using chiral phase-transfer catalysts.","Organic & biomolecular chemistry","2015","13","33","8812","8816","10.1039/c5ob01301a","","","0.71073","MoKα","","0.0445","0.0407","","","0.0733","0.0747","","","","","","1.131","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154624","13.3258","0.0003","12.8123","0.0003","14.6052","0.0004","90","","116.613","0.0008","90","","2229.42","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B2 F3 N2 O2 -","- C23 H29 B2 F3 N2 O2 -","- C92 H116 B8 F12 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0507","0.0398","","","0.103","0.1098","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154625","7.202","0.0009","39.014","0.004","13.9823","0.0017","90","","90.614","0.004","90","","3928.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H66 B2 N2 O2 -","- C43 H66 B2 N2 O2 -","- C172 H264 B8 N8 O8 -","4","2","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0855","0.0639","","","0.1648","0.1817","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154626","16.4632","0.0013","10.963","0.0009","13.1045","0.0009","90","","99.031","0.003","90","","2335.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 N2 O2 -","- C26 H36 B2 N2 O2 -","- C104 H144 B8 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0975","0.0476","","","0.1135","0.148","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154627","7.871","0.005","11.094","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","1354","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H10 Br2 O3 -","- C14 H10 Br2 O3 -","- C56 H40 Br8 O12 -","4","1","","Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed","Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols.","Organic & biomolecular chemistry","2015","13","37","9686","9696","10.1039/c5ob01287b","","","0.71069","MoKα","","0.0828","0.0471","","","0.1135","0.1563","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154628","14.39","0.003","9.587","0.0016","14.773","0.003","90","","107.651","0.002","90","","1942.1","0.7","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N3 O5 P -","- C19 H20 N3 O5 P -","- C76 H80 N12 O20 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.0441","0.0387","","","0.1107","0.114","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154629","8.955","0.002","9.519","0.002","12.242","0.003","90.177","0.003","94.21","0.003","116.002","0.004","934.7","0.4","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C19 H15 F N3 O5 P -","- C19 H15 F N3 O5 P -","- C38 H30 F2 N6 O10 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.048","0.0414","","","0.1193","0.1235","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154630","8.2681","0.0005","7.5543","0.0005","23.4201","0.0017","90","","96.148","0.003","90","","1454.4","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N O9 -","- C31 H33 N O9 -","- C62 H66 N2 O18 -","2","1","","Zhou, M.-J.; Bouazzaoui, S.; Jones, L. E.; Goodrich, P.; Bell, S. E. J.; Sheldrake, G. N.; Horton, P. N.; Coles, S. J.; Fletcher, N. C.","Isolation and structural determination of non-racemic tertiary cathinone derivatives.","Organic & biomolecular chemistry","2015","13","37","9629","9636","10.1039/c5ob01306b","","","0.71075","MoKα","","0.1535","0.0865","","","0.192","0.231","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154631","6.306","0.004","8.935","0.006","13.518","0.009","90","","96.662","0.008","90","","756.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C28 H36 N4 O6 S2 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0672","0.0442","","","0.0982","0.104","","","","","","0.912","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154632","11.651","0.004","5.9117","0.0018","14.797","0.005","90","","96.518","0.004","90","","1012.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br2 F O4 -","- C20 H17 Br2 F O4 -","- C40 H34 Br4 F2 O8 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0514","0.0379","","","0.0932","0.0979","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154633","9.603","0.0015","5.6386","0.0009","19.96","0.003","90","","92.827","0.002","90","","1079.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br2 O4 S2 -","- C20 H24 Br2 O4 S2 -","- C40 H48 Br4 O8 S4 -","2","0.5","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0307","0.0266","","","0.0646","0.0666","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154634","11.34","0.014","16.33","0.02","16.93","0.02","90","","99.38","0.02","90","","3093","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl3 O5 P S2 -","- C27 H30 Cl3 O5 P S2 -","- C108 H120 Cl12 O20 P4 S8 -","4","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0791","0.0518","","","0.1389","0.1577","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154635","3.7349","0.001","10.508","0.003","12.512","0.003","90","","96.366","0.004","90","","488","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H4 O3 S2 -","- C11 H4 O3 S2 -","- C22 H8 O6 S4 -","2","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0439","0.0417","","","0.1019","0.1035","","","","","","1.136","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154636","8.104","0.0016","17.252","0.004","9.486","0.0019","90","","106.24","0.03","90","","1273.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Liu, Wei; Wang, Haining; Shi, Yian","A palladium-catalyzed enantioselective hydroesterification of alkenylphenols with phenyl formate. A facile approach to optically active dihydrocoumarins.","Organic & biomolecular chemistry","2015","13","41","10341","10347","10.1039/c5ob01431j","","","0.71073","MoKα","","0.1354","0.0968","","","0.2209","0.242","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154637","12.6131","0.0005","26.049","0.001","8.1912","0.0004","90","","108.884","0.002","90","","2546.43","0.19","156","2","155.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl3 N7 O10 -","- C19 H18 Cl3 N7 O10 -","- C76 H72 Cl12 N28 O40 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.2858","0.2697","","","0.667","0.6748","","","","","","3.511","","","","has coordinates,has disorder","162150","2020-10-21","18:00:00",""
"7154638","10.0324","0.0006","5.2469","0.0002","16.142","0.0009","90","","101.826","0.003","90","","831.66","0.08","152","2","152","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.04","0.0322","","","0.0831","0.0889","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154639","13.823","0.004","7.673","0.002","27.213","0.007","90","","90","","90","","2886.3","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Nostodione A methyl ether","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C152 H104 N8 O24 -","8","1","","McNulty, James; Keskar, Kunal; Jenkins, Hilary A.; Werstiuk, Nick H.; Bordón, Claudia; Yolken, Robert; Jones-Brando, Lorraine","Synthesis of the cyanobacterial metabolite nostodione A, structural studies and potent antiparasitic activity against Toxoplasma gondii.","Organic & biomolecular chemistry","2015","13","39","10015","10024","10.1039/c5ob01506e","","","0.71073","MoKα","","0.1062","0.0557","","","0.1127","0.1316","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154640","8.5794","0.0006","12.6291","0.0016","22.1208","0.0017","90","","91.615","0.007","90","","2395.8","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F3 N O4 P S -","- C21 H27 F3 N O4 P S -","- C84 H108 F12 N4 O16 P4 S4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","1.5418","CuKα","","0.0592","0.049","","","0.1367","0.1454","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154641","16.654","0.004","5.0589","0.0013","21.395","0.006","90","","94.15","0.02","90","","1797.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N O4 P -","- C15 H21 F3 N O4 P -","- C60 H84 F12 N4 O16 P4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","0.7107","MoKα","","0.2337","0.081","","","0.1727","0.2214","","","","","","0.882","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154642","6.3711","0.0001","12.1422","0.0003","27.2294","0.0007","90","","90","","90","","2106.44","0.08","100","2","100.15","","","","101.3","","","","synthetic","6","P 21 21 21","P 2ac 2ab","19","thymidine-LNA-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","thymin-1-yl-2'-O,4'-C-methylene-β-D-ribofuranosyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","","- C18 H25 N2 O7 P S2 -","- C18 H25 N2 O7 P S2 -","- C72 H100 N8 O28 P4 S8 -","4","1","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Bujacz, Grzegorz; Guga, Piotr","Thermal stability and conformation of antiparallel duplexes formed by P-stereodefined phosphorothioate DNA/LNA chimeric oligomers with DNA and RNA matrices.","Organic & biomolecular chemistry","2015","13","39","10032","10040","10.1039/c5ob01474c","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0726","0.075","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154643","8.7847","0.001","10.1017","0.0009","17.1281","0.001","89.731","0.006","88.638","0.007","69.689","0.006","1425","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.0681","0.0497","","","0.1287","0.1477","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154644","8.3651","0.0017","10.416","0.002","21.073","0.004","103.176","0.013","92.751","0.015","74.496","0.015","1722.6","0.6","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 N O4 -","- C37 H53 N O4 -","- C74 H106 N2 O8 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","1.54178","CuKα","","0.1091","0.0617","","","0.169","0.2104","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154645","10.274","0.002","25.257","0.005","26.703","0.005","90","","90","","90","","6929","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N O3 -","- C37 H55 N O3 -","- C296 H440 N8 O24 -","8","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.1599","0.099","","","0.2408","0.2808","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154646","11.3455","0.0012","10.2153","0.001","14.3393","0.0013","90","","94.725","0.005","90","","1656.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 B Br F7 N2 O -","- C16 H7 B Br F7 N2 O -","- C64 H28 B4 Br4 F28 N8 O4 -","4","1","","Raja Sekhar, Adiki; Kaloo, Masood Ayoub; Sankar, Jeyaraman","Dual-mode chemodosimetric response of dibromo-BODIPY with anions.","Organic & biomolecular chemistry","2015","13","40","10155","10161","10.1039/c5ob01386k","","","0.71073","MoKα","","0.041","0.0354","","","0.0898","0.0944","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154647","12.036","0.005","10.533","0.005","12.239","0.005","90","","94.749","0.01","90","","1546.3","1.2","100","2","100.15","","","","","","","","N/A","4","P 1 21 1","P 2yb","4","Fluoroalkene 11","3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene","","- C37 H39 F O5 -","- C37 H39 F O5 -","- C74 H78 F2 O10 -","2","1","","Altiti, Ahmad S.; Bachan, S.; Alrowhani, W.; Mootoo, D. R.","An organocatalytic strategy for the stereoselective synthesis of C-galactosides with fluorine at the pseudoanomeric carbon.","Organic & biomolecular chemistry","2015","13","41","10328","10335","10.1039/c5ob01471a","","","0.71095","MoKα","","0.0928","0.0655","","","0.1604","0.1831","","","","","","0.9821","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154648","18.6725","0.0014","9.6689","0.0007","19.3848","0.0014","90","","90","","90","","3499.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C168 H112 Cl8 N8 O24 -","8","2","","Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun","Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.","Organic & biomolecular chemistry","2015","13","40","10236","10243","10.1039/c5ob01359c","","","0.71073","MoKα","","0.046","0.04","","","0.1021","0.1088","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154649","8.3589","0.0001","20.9131","0.0003","17.1468","0.0004","90","","97.582","0.001","90","","2971.23","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F10 N -","- C33 H27 B F10 N -","- C132 H108 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0849","0.0581","","","0.1067","0.1195","","","","","","1.083","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154650","8.9201","0.0002","10.7594","0.0003","25.6057","0.0007","90","","90.619","0.001","90","","2457.36","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B F10 N O -","- C27 H24 B F10 N O -","- C108 H96 B4 F40 N4 O4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0682","0.0516","","","0.1123","0.1212","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154651","10.0839","0.0003","10.3125","0.0003","11.7098","0.0003","93.787","0.0013","92.769","0.0012","102.949","0.0012","1181.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.045","0.0387","","","0.0984","0.103","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154652","9.0475","0.0002","10.2558","0.0002","14.7499","0.0005","84.788","0.001","79.791","0.001","76.629","0.002","1308.68","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 B F10 N -","- C28 H26 B F10 N -","- C56 H52 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1011","0.0705","","","0.1356","0.156","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154653","8.3829","0.0002","18.0928","0.0005","18.0057","0.0006","90","","95.814","0.001","90","","2716.88","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C116 H96 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1102","0.0707","","","0.1269","0.1488","","","","","","1.133","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154654","8.626","0.0005","18.2872","0.0012","21.3911","0.0014","90","","91.102","0.002","90","","3373.7","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F10 N O -","- C16 H8 B F10 N O -","- C128 H64 B8 F80 N8 O8 -","8","2","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.3246","0.1902","","","0.2615","0.3268","","","","","","1.247","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154655","8.0677","0.0003","9.7095","0.0004","18.3172","0.0007","81.567","0.002","85.147","0.001","70.608","0.001","1337.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.0488","0.0423","","","0.1151","0.119","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154656","9.0935","0.0005","9.5304","0.0005","11.4509","0.0007","70.278","0.002","74.54","0.002","65.394","0.002","840.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 B F10 N -","- C17 H10 B F10 N -","- C34 H20 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0493","0.0362","","","0.0845","0.092","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154657","11.4534","0.0008","11.6801","0.0009","14.4308","0.0011","96.466","0.005","102.806","0.004","90.975","0.004","1868.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cbz-(rac)-(αMe)ValAib4OtBu","racemic CbzMeValAib4OtBu","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C68 H110 N10 O16 -","2","1","","Pike, Sarah J.; Jones, Jennifer E.; Raftery, James; Clayden, Jonathan; Webb, Simon J.","Helical peptaibol mimics are better ionophores when racemic than when enantiopure.","Organic & biomolecular chemistry","2015","13","37","9580","9584","10.1039/c5ob01652e","","","1.54178","CuKα","","0.0631","0.0524","","","0.1417","0.1505","","","","","","1.09","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154658","8.7294","0.0017","9.0226","0.0018","13.246","0.003","89.48","0.03","79.49","0.03","89.81","0.03","1025.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.0615","0.0463","","","0.1254","0.1379","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154659","20.9391","0.0005","19.6321","0.0004","19.0212","0.0005","90","","99.008","0.002","90","","7722.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C400 H320 O16 -","16","4","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0778","0.0555","","","0.147","0.1639","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154660","40.689","0.0012","7.9939","0.0002","15.8777","0.0007","90","","101.669","0.003","90","","5057.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0747","0.0653","","","0.1978","0.2091","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154661","9.648","0.004","12.704","0.005","13.199","0.005","118.354","0.005","94.509","0.006","101.854","0.006","1363.9","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O4 -","- C33 H30 O4 -","- C66 H60 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.1462","0.1102","","","0.3182","0.3477","","","","","","1.215","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154662","10.0941","0.0005","12.7419","0.0005","13.2345","0.0008","117.981","0.005","94.366","0.005","104.498","0.004","1417.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C68 H64 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0602","0.0497","","","0.1435","0.1563","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154663","9.999","0.003","16.21","0.005","16.317","0.005","90","","90","","90","","2644.7","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Zheng, Danqing; Kuang, Yunyan; Wu, Jie","A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.","Organic & biomolecular chemistry","2015","13","41","10370","10375","10.1039/c5ob01765c","","","0.71073","MoKα","","0.0721","0.0446","","","0.101","0.1077","","","","","","0.911","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154664","29.2646","0.0012","9.4866","0.0004","15.7986","0.0007","90","","103.661","0.002","90","","4262","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl2 N2 O2 -","- C24 H19 Cl2 N2 O2 -","- C192 H152 Cl16 N16 O16 -","8","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.0913","0.0749","","","0.1293","0.1314","","","","","","3.455","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154665","9.4773","0.0019","9.4856","0.0015","12.418","0.003","82.847","0.009","79.354","0.01","76.208","0.009","1061.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.1102","0.0544","","","0.144","0.1737","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154666","15.8707","0.0003","37.2414","0.0007","21.2432","0.0004","90","","131.683","0.001","90","","9377.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H73.5 N O3 Si2 -","- C49.5 H73.5 N O3 Si2 -","- C396 H588 N8 O24 Si16 -","8","2","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0998","0.0619","","","0.1528","0.1738","","","","","","1.027","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154667","9.644","0.004","12.021","0.006","18.923","0.006","86.145","0.014","85.326","0.01","85.326","0.019","2175.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl-2-hydroxy-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O5 Si2 -","- C43 H67 N O5 Si2 -","- C86 H134 N2 O10 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1103","0.0763","","","0.1937","0.2167","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154668","8.7","0.0007","15.359","0.001","17.871","0.0011","67.097","0.004","89.688","0.004","79.278","0.004","2155.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl cis-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O4 Si2 -","- C43 H67 N O4 Si2 -","- C86 H134 N2 O8 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1068","0.0748","","","0.1908","0.2104","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154669","15.518","0.0004","12.321","0.0005","9.057","0.0008","90","","106.742","0.003","90","","1658.27","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman12","methyl 3-isopropyl-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0573","0.047","","","0.1232","0.1301","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154670","9.081","0.0006","11.092","0.0006","20.597","0.001","90","","94.188","0.004","90","","2069.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl cis-4,7-dihydroxy-1-methyl-3-(naphthalen-1-yl)isoindoline-1-carboxylat","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0531","0.0442","","","0.1168","0.1229","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154671","11.171","0.0003","8.589","0.0003","19.728","0.0007","90","","95.532","0.0011","90","","1884.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman9","ethyl 3-(tert-butyl)-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0845","0.0577","","","0.1357","0.1491","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154672","7.736","0.002","12.285","0.002","14.643","0.003","71.82","0.02","88.31","0.02","73.55","0.02","1265.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Szpilman13 (Sukanta)","","","- C32 H34 N O -","- C32 H34 N O -","- C64 H68 N2 O2 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1133","0.0494","","","0.1239","0.1399","","","","","","0.842","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154673","7.2796","0.0001","27.9338","0.0006","10.3113","0.0002","90","","106.824","0.001","90","","2007.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 I2 Mn N5 O2 -","- C13 H23 I2 Mn N5 O2 -","- C52 H92 I8 Mn4 N20 O8 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0566","0.0497","","","0.1199","0.1233","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154674","14.5669","0.0009","18.4411","0.001","15.6178","0.0007","90","","90.728","0.002","90","","4195.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C128 H224 Cl16 Mn8 N56 O6 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.117","0.0597","","","0.1166","0.1351","","","","","","0.975","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154675","33.9815","0.0007","12.1081","0.0003","25.8046","0.0005","90","","117.073","0.001","90","","9454","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C312 H504 Cl56 Mn16 N80 O8 -","16","2","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0385","0.0313","","","0.0804","0.0843","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154676","10.2636","0.0018","10.7862","0.0018","11.475","0.002","96.25","0.003","98.454","0.003","104.549","0.003","1202.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(?)-(3aR,9aR)-rel-3a,4,9,9a-tetrahydro-4-[(1R)-1-N-benzylaminoethyl]-2-methyl-,4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0633","0.0535","","","0.1572","0.1655","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154677","15.275","0.003","14.422","0.002","17.487","0.003","90","","90","","90","","3852.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-trifluoroacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H18 F3 N2 O3 -","- C23 H18 F3 N2 O3 -","- C184 H144 F24 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.15","0.0652","","","0.1398","0.1705","","","","","","0.81","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154678","14.954","0.0012","9.4917","0.0008","16.5072","0.0013","90","","107.913","0.005","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-tert-butylcarbamato]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.1228","0.0517","","","0.1162","0.1555","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154679","17.583","0.002","11.5915","0.0014","17.893","0.002","90","","90","","90","","3646.8","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethylacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0897","0.0506","","","0.118","0.147","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154680","12.173","0.003","17.375","0.004","18.275","0.004","61.92","0.003","71.547","0.003","87.263","0.003","3211.2","1.3","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","C18Pycage","","","- C70 H116 Si2 -","- C70 H116 Si2 -","- C140 H232 Si4 -","2","1","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0688","0.0575","","","0.1454","0.1553","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154681","6.354","0.0012","16.626","0.003","9.3688","0.0017","90","","100.456","0.002","90","","973.3","0.3","100","2","100","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","2,7-TMSpyrene","2,7-bis(trimethylsilyl)pyrene","","- C22 H26 Si2 -","- C22 H26 Si2 -","- C44 H52 Si4 -","2","0.5","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0375","0.0331","","","0.0875","0.0905","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154682","7.5806","0.0003","14.495","0.0005","6.3109","0.0002","90","","90","","90","","693.45","0.04","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H5 N5 S -","- C5 H5 N5 S -","- C20 H20 N20 S4 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0292","0.0261","","","0.0624","0.0641","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154683","3.9589","0.0003","10.9827","0.0008","15.3508","0.0012","90","","93.0963","0.0019","90","","666.47","0.09","132","2","132","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C20 H24 N24 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0435","0.0358","","","0.1078","0.1149","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154684","13.1418","0.001","5.9625","0.0005","6.768","0.0006","90","","90","","90","","530.33","0.08","132","2","132","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N5 O -","- C4 H3 N5 O -","- C16 H12 N20 O4 -","4","0.5","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0674","0.0429","","","0.0993","0.1109","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154685","9.528","0.003","7.509","0.002","11.706","0.004","90","","99.729","0.007","90","","825.5","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin; Cheng, Jin-Pei","Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins.","Organic & biomolecular chemistry","2015","13","39","9943","9947","10.1039/c5ob01691f","","","0.71075","MoKα","","0.0225","0.0197","","","0.0366","0.0368","","","","","","0.874","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154686","15.973","0.003","8.5673","0.0015","28.865","0.005","90","","93.316","0.004","90","","3943.4","1.2","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","1","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1148","0.1218","","","","","","1.119","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154687","23.99","0.03","16.08","0.03","10.433","0.015","90","","102.51","0.07","90","","3929","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","0.5","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.1023","0.0895","","","0.2083","0.216","","","","","","1.195","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154688","22.4744","0.0009","49.168","0.002","12.4218","0.0005","90","","90","","90","","13726.4","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C624 H624 N144 O48 -","48","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","1.54178","CuKα","","0.0892","0.0601","","","0.1599","0.21","","","","","","0.833","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154689","9.1046","0.0002","10.2134","0.0002","19.7287","0.0005","90","","90.687","0.001","90","","1834.42","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C84 H84 N12 O6 -","6","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0421","0.0367","","","0.0841","0.0931","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154690","14.2584","0.0005","14.3343","0.0005","11.7845","0.0004","90","","90","","90","","2408.57","0.14","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1018","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154691","16.085","0.0012","15.4499","0.0015","25.045","0.002","90","","101.694","0.004","90","","6094.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H67 Br N8 O8 -","- C65 H67 Br N8 O8 -","- C260 H268 Br4 N32 O32 -","4","0.5","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0943","0.0701","","","0.1978","0.2204","","","","","","1","","","","has coordinates","171345","2020-10-21","18:00:00",""
"7154692","9.858","0.005","10.06","0.005","15.468","0.008","107.265","0.015","98.346","0.015","94.368","0.016","1437.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl N2 O3 S -","- C33 H25 Cl N2 O3 S -","- C66 H50 Cl2 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1205","0.0569","","","0.1365","0.1599","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154693","9.769","0.0011","13.1644","0.0013","14.4577","0.0014","68.08","0.003","77.97","0.003","75.448","0.003","1655.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Cl2 N2 O3 S -","- C39 H28 Cl2 N2 O3 S -","- C78 H56 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.096","0.0519","","","0.1239","0.1466","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154694","9.7111","0.001","13.1409","0.0015","14.4778","0.0016","68.243","0.003","77.852","0.003","74.805","0.003","1642.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cl3 N2 O3 S -","- C38 H25 Cl3 N2 O3 S -","- C76 H50 Cl6 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1022","0.0534","","","0.1174","0.1357","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154695","10.008","0.0012","13.0276","0.0014","14.4607","0.0016","69.088","0.003","75.86","0.003","75.069","0.003","1677.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cl N2 O4 S -","- C40 H31 Cl N2 O4 S -","- C80 H62 Cl2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.0849","0.0482","","","0.1164","0.1362","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154696","10.6152","0.0019","12.5567","0.0019","15.206","0.002","70.076","0.004","71.09","0.005","65.406","0.005","1692.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl4 N2 O4 S -","- C35 H28 Cl4 N2 O4 S -","- C70 H56 Cl8 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1815","0.0781","","","0.1723","0.2204","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154697","10.8287","0.0012","12.2767","0.0012","14.9417","0.0016","70.307","0.003","71.694","0.003","64.943","0.003","1659.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl3 F N2 O4 S -","- C35 H28 Cl3 F N2 O4 S -","- C70 H56 Cl6 F2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.101","0.0599","","","0.1586","0.1849","","","","","","1.036","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154698","10.1987","0.0013","12.6875","0.0015","13.8047","0.0018","102.851","0.004","96.021","0.004","101.52","0.004","1685.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N2 O3 S -","- C35 H26 Cl2 N2 O3 S -","- C70 H52 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1356","0.065","","","0.1658","0.1865","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154699","17.53","0.003","9.8","0.002","26.749","0.005","90","","92.39","0.03","90","","4591.3","1.5","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C157 H59 Cl3 N2 -","- C157 H59 Cl3 N2 -","- C314 H118 Cl6 N4 -","2","1","","Zhang, Bolong; White, Jonathan M.; Jones, David J.; Wong, Wallace W. H.","Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2015","13","42","10505","10510","10.1039/c5ob01630d","","","0.71073","Synchrotron","","0.1687","0.1435","","","0.3772","0.4076","","","","","","1.579","","","","has coordinates","171354","2020-10-21","18:00:00",""
"7154700","7.467","0.0013","13.272","0.002","16.898","0.003","90","","90","","90","","1674.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0852","0.0889","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154701","9.8536","0.0002","23.1341","0.0005","8.1728","0.0002","90","","91.599","0.0011","90","","1862.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C88 H72 O16 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0694","0.0438","","","0.1087","0.1216","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154702","15.1983","0.0006","7.2853","0.0003","14.9398","0.0005","90","","98.879","0.002","90","","1634.37","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.045","0.0351","","","0.096","0.1041","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154703","16.8761","0.0006","16.8184","0.0006","7.2259","0.0003","90","","90","","90","","2050.92","0.13","304","2","304","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Cl N O2 S -","- C25 H18 Cl N O2 S -","- C100 H72 Cl4 N4 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0343","0.0291","","","0.0739","0.0774","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154704","16.864","0.003","7.2505","0.0013","32.735","0.006","90","","90","","90","","4002.6","1.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 Cl N O2 S -","- C25 H16 Cl N O2 S -","- C200 H128 Cl8 N8 O16 S8 -","8","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.2009","0.1412","","","0.3957","0.4273","","","","","","1.14","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154705","6.1577","0.001","7.3665","0.0013","11.253","0.002","90","","91.935","0.005","90","","510.15","0.15","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(thiophen-3-yl)-1,3-dihydro-2-benzofuran-1-one","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C24 H16 O4 S2 -","2","1","","Yohda, Masaaki; Yamamoto, Yasunori","Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.","Organic & biomolecular chemistry","2015","13","44","10874","10880","10.1039/c5ob01661d","","","0.71075","MoKα","","","0.0442","","","","0.1171","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154706","9.0781","0.0003","15.5615","0.0006","12.3439","0.0005","90","","95.119","0.001","90","","1736.85","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1 R,3a S,4 S,7 R,7a R)-2-benzoyl-N-(tert-butyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindole-1-carboxamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","de Graaff, C.; Bensch, L.; van Lint, Matthijs J.; Ruijter, E.; Orru, R. V. A.","IBX-mediated oxidation of unactivated cyclic amines: application in highly diastereoselective oxidative Ugi-type and aza-Friedel-Crafts reactions.","Organic & biomolecular chemistry","2015","13","40","10108","10112","10.1039/c5ob01519g","","","1.54184","CuKα","","0.0338","0.033","","","0.0809","0.0817","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154707","13.5456","0.0013","10.4106","0.001","27.394","0.003","90","","96.946","0.002","90","","3834.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-MeOH","","- C40 H35 Cl N10 O8.5 -","- C40 H35 Cl N10 O8.5 -","- C160 H140 Cl4 N40 O34 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1096","0.0893","","","0.2289","0.2431","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154708","13.4052","0.0015","10.3199","0.0012","28.307","0.003","90","","94.87","0.002","90","","3901.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","21-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39.001 H34.002 Cl2.002 N10 O9 -","- C156.004 H136.008 Cl8.008 N40 O36 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1001","0.0845","","","0.2178","0.228","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154709","13.4675","0.0016","10.3791","0.0012","13.7432","0.0016","90","","95.61","0.002","90","","1911.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","22-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0616","0.0532","","","0.1398","0.1496","","","","","","1.072","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154710","13.5062","0.0016","10.3752","0.0012","13.7885","0.0016","90","","95.675","0.003","90","","1922.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","23-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0561","0.0517","","","0.135","0.139","","","","","","1.039","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154711","13.4731","0.0013","10.3806","0.001","13.7581","0.0014","90","","95.674","0.002","90","","1914.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","24-H2O","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0586","0.0535","","","0.1419","0.1465","","","","","","1.027","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154712","6.8637","0.001","11.7729","0.0016","13.271","0.0019","64.589","0.007","84.416","0.008","82.273","0.009","958.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0612","0.044","","","0.1393","0.1513","","","","","","1.041","","","","has coordinates","171331","2020-10-21","18:00:00",""
"7154713","17.682","","10.244","","11.523","","90","","97.04","","90","","2071.48","","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0856","0.0389","","","0.0803","0.0898","","","","","","0.82","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154714","9.895","0.003","11.505","0.005","14.869","0.004","71.806","0.005","80.889","0.002","82.139","0.005","1580.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F6 N5 O2 P -","- C36 H28 F6 N5 O2 P -","- C72 H56 F12 N10 O4 P2 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0756","0.0564","","","0.1374","0.149","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154715","9.816","0.004","11.381","0.004","13.411","0.006","99.225","0.019","92.06","0.02","100.585","0.019","1450.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3 -","- C32 H23 N3 O3 -","- C64 H46 N6 O6 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0611","0.0431","","","0.1047","0.1103","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154716","10.2728","0.0012","10.8678","0.0013","11.397","0.0013","110.392","0.005","108.076","0.005","91.105","0.005","1122.1","0.2","301.5","","301.5","","","","","","","","","4","P -1","-P 1","2","","methyl 3-(morpholino(phenyl)methyl)-2-phenylindolizine-1-carboxylate","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Jung, Youngeun; Kim, Ikyon","C3 functionalization of indolizines via In(iii)-catalyzed three-component reaction.","Organic & biomolecular chemistry","2015","13","45","10986","10994","10.1039/c5ob01657f","","","0.71073","MoKα","","0.0787","0.0479","","","0.1152","0.1309","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154717","6.707","0.0001","9.455","0.0002","12.934","0.0003","110.616","0.001","95.007","0.001","95.594","0.001","757.49","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","BODIPY1","1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinolin-8-yl]ethanone","","- C16 H10 B Br F2 N2 O2 -","- C16 H10 B Br F2 N2 O2 -","- C32 H20 B2 Br2 F4 N4 O4 -","2","1","","Papalia, T.; Lappano, R.; Barattucci, A.; Pisano, A.; Bruno, G.; Santolla, M. F.; Campagna, S.; De Marco, P.; Puntoriero, F.; De Francesco, E. M.; Rosano, C.; Maggiolini, M.; Bonaccorsi, P.","A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER).","Organic & biomolecular chemistry","2015","13","42","10437","10441","10.1039/c5ob01827g","","","0.71073","MoKα","","0.0345","0.0265","","","0.0608","0.0638","","","","","","1.016","","","","has coordinates","171359","2020-10-21","18:00:00",""
"7154718","10.6388","0.0003","9.0437","0.0003","24.8594","0.0008","90","","90","","90","","2391.83","0.13","99.97","0.1","99.97","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0707","0.072","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154719","21.3381","0.0009","10.9654","0.0003","25.5553","0.0009","90","","113.186","0.005","90","","5496.5","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H61.56 Cl4.5 N4 O10 -","- C57.5 H61.561 Cl4.5 N4 O10 -","- C230 H246.244 Cl18 N16 O40 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.082","0.0504","","","0.1071","0.1225","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154720","8.7569","0.0006","17.2402","0.0013","12.0556","0.0009","90","","103.439","0.004","90","","1770.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Fe N3 O -","- C18 H14 Cl2 Fe N3 O -","- C72 H56 Cl8 Fe4 N12 O4 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0647","0.0375","","","0.1098","0.1315","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154721","8.5037","0.0011","8.8542","0.0013","13.785","0.002","90.32","0.007","103.174","0.006","101.734","0.006","988","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Fe N3 O -","- C22 H16 Cl2 Fe N3 O -","- C44 H32 Cl4 Fe2 N6 O2 -","2","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.06","0.0405","","","0.1143","0.1382","","","","","","1.153","","","","has coordinates","171348","2020-10-21","18:00:00",""
"7154722","9.942","0.005","16.486","0.005","22.002","0.005","90","0.005","102.222","0.005","90","0.005","3524","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl3 Fe N6 O6 -","- C37 H30 Cl3 Fe N6 O6 -","- C148 H120 Cl12 Fe4 N24 O24 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.1034","0.0623","","","0.1638","0.1898","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154723","28.134","0.008","12.016","0.004","20.69","0.007","90","","97.965","0.011","90","","6927","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Fe N7 O6 -","- C38 H34 Fe N7 O6 -","- C304 H272 Fe8 N56 O48 -","8","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0986","0.0623","","","0.1792","0.2055","","","","","","1.209","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154724","8.708","0.004","6.286","0.003","17.049","0.008","90","","92.583","0.007","90","","932.3","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Zhang, Chun-Lin; Wang, Dong-Ling; Chen, Kun-Quan; Ye, Song","N-Heterocyclic carbene-catalyzed [3 + 3] cyclocondensation of bromoenals with hydrazones: highly enantioselective synthesis of dihydropyridazones.","Organic & biomolecular chemistry","2015","13","46","11255","11262","10.1039/c5ob01748c","","","0.71073","MoKα","","0.0494","0.0452","","","0.1359","0.1396","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154725","5.2823","0.0003","10.763","0.0007","27.6349","0.0017","90","","90","","90","","1571.14","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R)-1-phenyl-3-(phenylamino)hexane-1,2-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Luo, Lan; Yamamoto, Hisashi","Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening.","Organic & biomolecular chemistry","2015","13","42","10466","10470","10.1039/c5ob01808k","","","1.54178","CuKα","","0.0661","0.051","","","0.1063","0.1134","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154727","8.59","0.0006","9.4711","0.0007","12.6798","0.001","107.793","0.003","92.053","0.003","114.166","0.003","880.65","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","1","0.5","","Zhu, Jianan; Wei, Ying; Lin, Dongqing; Ou, Changjin; Xie, Linghai; Zhao, Yu; Huang, Wei","One-pot synthesis of benzoxaborole derivatives from the palladium-catalyzed cross-coupling reaction of alkoxydiboron with unprotected o-bromobenzylalcohols.","Organic & biomolecular chemistry","2015","13","46","11362","11368","10.1039/c5ob01781e","","","0.71073","MoKα","","0.127","0.0531","","","0.0993","0.1261","","","","","","1.012","","","","has coordinates,has disorder","301861","2025-08-22","11:12:25",""
"7154728","12.2189","0.001","5.8949","0.0004","18.2917","0.0013","90","","105.995","0.002","90","","1266.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br N5 -","- C10 H16 Br N5 -","- C40 H64 Br4 N20 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.1608","0.1344","","","0.4046","0.4318","","","","","","1.711","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154729","10.7823","0.0004","11.5658","0.0003","11.9326","0.0004","90","","90.08","0.003","90","","1488.06","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 I N5 O -","- C11 H18 I N5 O -","- C44 H72 I4 N20 O4 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.0337","0.0276","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154730","7.0673","0.0014","14.647","0.003","15.48","0.003","90","","90","","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Disetti, Paolo; Moccia, Maria; Salazar Illera, Diana; Suresh, Surisetti; Adamo, Mauro F. A.","Catalytic enantioselective addition of isocyanoacetate to 3-methyl-4-nitro-5-styrylisoxazoles under phase transfer catalysis conditions.","Organic & biomolecular chemistry","2015","13","43","10609","10612","10.1039/c5ob01880c","","","0.71073","MoKα","","0.0338","0.0333","","","0.0928","0.0932","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154731","19.1544","0.0007","28.1718","0.0011","19.2631","0.0007","90","","104.865","0.001","90","","10046.8","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cl2 N6 S2 -","- C53 H48 Cl2 N6 S2 -","- C424 H384 Cl16 N48 S16 -","8","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","0.71073","MoKα","","0.0982","0.0784","","","0.2188","0.2358","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154732","12.3573","0.0005","13.8029","0.0001","17.2234","0.0013","71.455","0.015","82.166","0.016","64.049","0.014","2504.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.58 H68.68 Cl0.95 N2 O4 S2 -","- C58.542 H68.598 Cl0.972 N2 O4 S2 -","- C117.084 H137.196 Cl1.944 N4 O8 S4 -","2","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","1.54187","CuKα","","0.0678","0.0584","","","0.1655","0.172","","","","","","1.052","","","","has coordinates,has disorder","171324","2020-10-21","18:00:00",""
"7154734","15.2618","0.0006","13.0327","0.0005","17.7452","0.0008","90","","108.078","0.0012","90","","3355.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 Cu N2 O3 -","- C40 H26 Cu N2 O5.5 -","- C160 H104 Cu4 N8 O22 -","4","2","","Naganawa, Yuki; Aoyama, Tomotaka; Nishiyama, Hisao","Cu(ii)-catalyzed enantioselective oxygen atom transfer from oxaziridine to oxindole derivatives with chiral phenanthroline.","Organic & biomolecular chemistry","2015","13","47","11499","11506","10.1039/c5ob01840d","","","0.71073","MoKa","","0.0603","0.0577","","","0.1798","0.1826","","","","","","1.507","","","","has coordinates","171350","2020-10-21","18:00:00",""
"7154735","9.123","0.0018","14.399","0.003","15.26","0.003","90","","90","","90","","2004.6","0.7","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O9 -","- C17 H23 N O9 -","- C68 H92 N4 O36 -","4","1","","Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier","Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.","Organic & biomolecular chemistry","2015","13","47","11529","11538","10.1039/c5ob01870f","","x-ray","1.54184","Cukα","","0.0789","0.0456","","","0.1032","0.116","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154736","10.3759","0.0006","5.9408","0.0003","37.263","0.003","90","","90","","90","","2296.9","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 N12 -","- C22 H28 N12 -","- C88 H112 N48 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.0589","0.0496","","","0.1208","0.1286","","","","","","1.041","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7154737","5.8503","0.0009","11.3224","0.0012","24.444","0.004","90","","90.072","0.013","90","","1619.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N15 O2 -","- C30 H39 N15 O2 -","- C60 H78 N30 O4 -","2","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.1158","0.0719","","","0.1638","0.183","","","","","","0.926","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154738","9.1205","0.0007","22.1481","0.0018","11.2162","0.001","90","","100.14","0.008","90","","2230.3","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","0.71073","MoKα","","0.1176","0.0641","","","0.1317","0.1605","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154739","9.398","0.002","9.776","0.002","24.059","0.006","90","","90","","90","","2210.4","0.9","296","2","296","2","","","","","","","synthatic","6","P 21 21 21","P 2ac 2ab","19","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","","- C24 H18 Cl N3 O3 S -","- C24 H18 Cl N3 O3 S -","- C96 H72 Cl4 N12 O12 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","1.54178","CuKα","","0.09","0.0573","","","0.1529","0.1969","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154748","18.151","0.004","9.375","0.002","20.204","0.004","90","","95.666","0.004","90","","3421.2","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N3 O6 -","- C39 H35 N3 O6 -","- C156 H140 N12 O24 -","4","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.0951","0.0666","","","0.2","0.2365","","","","","","0.913","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154749","8.685","0.003","14.214","0.004","14.72","0.004","90.883","0.004","105.896","0.004","100.876","0.003","1711.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Br N3 O6 -","- C35 H26 Br N3 O8 -","- C70 H52 Br2 N6 O16 -","2","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.1335","0.1213","","","0.3624","0.3775","","","","","","1.779","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154750","23.3264","0.0013","8.0732","0.0005","10.6434","0.0006","90","","92.206","0.005","90","","2002.9","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Methyl 5-ethoxy-1-(4-fluorobenzyl)-3-(4-methoxyphenyl) -pyrrole-2-carboxylate","","- C22 H22 F N O4 -","- C22 H22 F N O4 -","- C88 H88 F4 N4 O16 -","4","1","","de la Cruz, Fabiola N.; López, Julio; Jiménez-Halla, J Óscar C; Flores-Álamo, Marcos; Tamaríz, Joaquín; Delgado, Francisco; Vázquez, Miguel A","Synthesis of novel polysubstituted N-benzyl-1H-pyrroles via a cascade reaction of alkynyl Fischer carbenes with α-imino glycine methyl esters.","Organic & biomolecular chemistry","2015","13","48","11753","11760","10.1039/c5ob01655j","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1156","0.1308","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154751","14.9722","0.0005","15.3987","0.0005","21.4056","0.0006","96.271","0.002","101.891","0.002","99.527","0.002","4709.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","2","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0682","0.0458","","","0.1126","0.1264","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154752","14.4979","0.0013","12.8321","0.0012","30.827","0.003","90","","99.131","0.004","90","","5662.3","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cl2 N4 O2 Ti -","- C62 H70 Cl2 N4 O2 Ti -","- C248 H280 Cl8 N16 O8 Ti4 -","4","1","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0616","0.0427","","","0.0949","0.1044","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154753","21.982","0.001","12.4352","0.0006","19.3445","0.0013","90","","123.724","0.001","90","","4398","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O2 -","- C50 H60 N4 O2 -","- C200 H240 N16 O8 -","4","0.5","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0781","0.0705","","","0.208","0.2185","","","","","","0.984","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154756","5.927","0.005","8.999","0.005","13.598","0.005","106.549","0.005","97.092","0.005","94.09","0.005","685.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dimethyl 5-chloro-2-(2-diazoacetyl)phenylphosphoramidate","","- C10 H11 Cl N3 O4 P -","- C10 H11 Cl N3 O4 P -","- C20 H22 Cl2 N6 O8 P2 -","2","1","","Pramanik, Mukund M. D.; Rastogi, Namrata","Synthesis of α-diazo-β-keto esters, phosphonates and sulfones via acylbenzotriazole-mediated acylation of a diazomethyl anion.","Organic & biomolecular chemistry","2015","13","47","11567","11571","10.1039/c5ob01975c","","","0.71069","MoKα","","0.1159","0.0565","","","0.1252","0.1463","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154784","5.391","0.0006","5.4434","0.0006","11.1433","0.0012","84.283","0.008","78.772","0.009","68.545","0.007","298.37","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid","","- C6 H7 F O2 -","- C6 H7 F O2 -","- C12 H14 F2 O4 -","2","1","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0884","0.0567","","","0.1333","0.1499","","","","","","1.041","","","","has coordinates","171330","2020-10-21","18:00:00",""
"7154785","18.9983","0.0006","11.2142","0.0003","20.2881","0.0007","90","","90","","90","","4322.4","0.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-butyl (3-fluorobicyclo[1.1.1]pentan-1-yl)carbamate","","- C10 H16 F N O2 -","- C10 H16 F N O2 -","- C160 H256 F16 N16 O32 -","16","2","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0755","0.0456","","","0.1013","0.1183","","","","","","1.019","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154786","20.8723","0.0011","5.5406","0.0003","9.5443","0.0005","90","","90","","90","","1103.75","0.1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-bis(3-fluorobicyclo[1.1.1]pentan-1-yl)urea","","- C11 H14 F2 N2 O -","- C11 H14 F2 N2 O -","- C44 H56 F8 N8 O4 -","4","0.5","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0712","0.0428","","","0.0958","0.1129","","","","","","1.037","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154841","12.5638","0.0005","13.9738","0.0005","18.3524","0.0006","87.76","0.002","87.387","0.002","89.741","0.002","3216.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H46 N9 O0.5 -","- C33 H46 N9 O0.5 -","- C132 H184 N36 O2 -","4","2","","Lippe, Jan; Seichter, Wilhelm; Mazik, Monika","Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues.","Organic & biomolecular chemistry","2015","13","48","11622","11632","10.1039/c5ob01757b","","","0.71073","MoKα","","0.065","0.0475","","","0.1178","0.1298","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154842","9.7878","0.0008","10.215","0.0008","12.0649","0.001","93.455","0.002","95.974","0.002","109.227","0.002","1127.05","0.16","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","18b","","- C21 H29 F3 N2 O5 -","- C21 H29 F3 N2 O5 -","- C42 H58 F6 N4 O10 -","2","1","","Lesma, Giordano; Bassanini, Ivan; Bortolozzi, Roberta; Colletto, Chiara; Bai, Ruoli; Hamel, Ernest; Meneghetti, Fiorella; Rainoldi, Giulia; Stucchi, Mattia; Sacchetti, Alessandro; Silvani, Alessandra; Viola, Giampietro","Complementary isonitrile-based multicomponent reactions for the synthesis of diversified cytotoxic hemiasterlin analogues.","Organic & biomolecular chemistry","2015","13","48","11633","11644","10.1039/c5ob01882j","","x-ray","0.71073","MoKα","","0.0604","0.0527","","","0.153","0.1633","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7157216","9.1475","0.0003","22.3413","0.0007","12.6753","0.0004","90","","100.559","0.001","90","","2546.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H97 N7 O6 S -","- C43 H97 N7 O6 S -","- C86 H194 N14 O12 S2 -","2","1","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0308","0.0306","","","0.0811","0.0813","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157217","22.1618","0.0009","23.5118","0.0009","26.7043","0.0011","95.763","0.002","102.319","0.002","108.227","0.002","12701","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H107.75 N10 O8.5 S -","- C56 H107.75 N10 O8.5 S -","- C448 H862 N80 O68 S8 -","8","4","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.1426","0.1141","","","0.3157","0.3477","","","","","","1.041","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7157218","59.086","0.002","9.0002","0.0004","18.4644","0.0006","90.05","0.002","105.8","0.002","89.986","0.002","9448.1","0.6","100","2","100","2","","","","","","","","5","C 1","C 1","1","","","","- C57 H109 N11 O8 S -","- C57 H108.999 N11 O8 S -","- C342 H653.992 N66 O48 S6 -","6","","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0596","0.0534","","","0.1353","0.1418","","","","","","1.017","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7204482","14.7856","0.0014","14.7856","0.0014","33.637","0.009","90","","90","","120","","6368.3","1.9","293","2","293","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C144 H360 Ag18 I24 Mo6 N18 O6 S18 -","6","0.333333","","Zhang, Chi; Song, Yinglin; Wang, Xin; Kühn, Fritz E.; Wang, Yuxiao; Xu, Yan; Xin, Xinquan","Large third-order optical nonlinearity of two cubane-like clusters containing oxotrithiometalate anions and silver: synthesis, characterization, reactivity, and NLO properties‒structure correlation","Journal of Materials Chemistry","2003","13","3","571","","10.1039/b205450g","","","0.71073","MoKα","","0.0495","0.0404","","","0.1013","0.1075","","","","","","1.004","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204487","8.915","0.0005","10.6693","0.0007","11.0624","0.0007","107.456","0.001","97.5","0.001","114.034","0.001","877.33","0.09","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C42 H34 N6 O4 -","2","1","","Liang, Yongchao; Dvornikov, A. S.; Rentzepis, P. M.","New near infrared-sensitive photochromic fluorescing molecules","Journal of Materials Chemistry","2003","13","2","286","","10.1039/b206577k","","","0.71073","MoKα","","0.0993","0.0526","","","0.1169","0.1446","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204491","7.2582","0.0002","7.3697","0.0002","11.8514","0.0003","90","","99.4053","0.0019","90","","625.42","0.03","150","","150","","","","","","","","?","6","P 1 2/c 1","-P 2yc","13","","","","- C3 H14 N2 O11 S2 U -","- C3 H14 N2 O11 S2 U -","- C6 H28 N4 O22 S4 U2 -","2","0.5","","Thomas, Paul M.; Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot","Organically templated uranium(vi) sulfates: understanding phase stability using composition space","Journal of Materials Chemistry","2003","13","1","88","","10.1039/b206694g","","","0.71073","MoKα","","","0.0185","","","","0.0434","","","","","","0.8569","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204492","10.7391","0.0003","10.3791","0.0003","18.0265","0.0007","90","","106.942","0.0012","90","","1922.07","0.11","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N2 O17 S3 U2 -","- C3 H14 N2 O17 S3 U2 -","- C12 H56 N8 O68 S12 U8 -","4","1","","Thomas, Paul M.; Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot","Organically templated uranium(vi) sulfates: understanding phase stability using composition space","Journal of Materials Chemistry","2003","13","1","88","","10.1039/b206694g","","","0.71073","MoKα","","","0.0343","","","","0.0825","","","","","","0.9884","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204516","14.0654","0.0004","6.8771","0.0002","6.9255","0.0003","90","","90","","90","","669.9","0.04","","","295","","","","","","","","","4","C m c 21","C 2c -2","36","Vanadyl diacetate","","","- C8 H12 O10 V2 -","- C8 O10 V2 -","- C16 O20 V4 -","2","0.25","","Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/","Journal of Materials Chemistry","2003","13","6","1420","","10.1039/b208100h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204517","9.2707","0.0008","9.7345","0.0009","9.9132","0.0008","90","","106.029","0.003","90","","859.84","0.13","","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Vanadyl glycolate","","","- C8 H16 O12 V4 -","- C8 H16 O12 V4 -","- C16 H32 O24 V8 -","2","0.25","","Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/","Journal of Materials Chemistry","2003","13","6","1420","","10.1039/b208100h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204520","8.7507","0.0002","9.4424","0.0002","13.7058","0.0002","74.0139","0.0009","86.8875","0.001","81.312","0.001","1076.09","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F12 N2 O4 Pd -","- C16 H16 F12 N2 O4 Pd -","- C32 H32 F24 N4 O8 Pd2 -","2","1","","Liu, Yan-Hsiu; Cheng, Yi-Ching; Tung, Yung-Liang; Chi, Yun; Chen, Yao-Lun; Liu, Chao-Shiuan; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and characterization of fluorinated β-ketoiminate and imino-alcoholate Pd complexes: precursors for palladium chemical vapor deposition","Journal of Materials Chemistry","2003","13","1","135","142","10.1039/b208535f","","","0.71073","MoKα","","0.0428","0.0323","","","0.0792","0.0859","","","","","","1.087","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204521","5.8906","0.0001","10.274","0.0002","10.9422","0.0001","77.307","0.001","89.906","0.001","75.714","0.001","625.091","0.018","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 F12 N2 O4 Pd -","- C18 H24 F12 N2 O4 Pd -","- C18 H24 F12 N2 O4 Pd -","1","0.5","","Liu, Yan-Hsiu; Cheng, Yi-Ching; Tung, Yung-Liang; Chi, Yun; Chen, Yao-Lun; Liu, Chao-Shiuan; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and characterization of fluorinated β-ketoiminate and imino-alcoholate Pd complexes: precursors for palladium chemical vapor deposition","Journal of Materials Chemistry","2003","13","1","135","142","10.1039/b208535f","","","0.71073","MoKα","","0.0273","0.0262","","0.0636","0.063","","","","1.061","1.064","1.064","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204528","14.627","0.0006","15.1447","0.0007","16.6446","0.0007","90","","90","","90","","3687.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H O8.5 Rb2 Si2 U -","- O8.5 Rb2 Si2 U -","- O136 Rb32 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0577","0.0346","","","0.1037","0.1092","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204529","7.6989","0.0008","20.974","0.002","12.05","0.0012","90","","97.919","0.002","90","","1927.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H2 O9 Rb2 Si2 U -","- O9 Rb2 Si2 U -","- O72 Rb16 Si16 U8 -","8","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0704","0.0509","","","0.1264","0.1366","","","","","","1.001","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7204530","15.0472","0.0008","15.4265","0.0008","16.7315","0.0009","90","","90","","90","","3883.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cs2 H O8.5 Si2 U -","- Cs2 O8.5 Si2 U -","- Cs32 O136 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0514","0.0291","","","0.0691","0.0738","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204531","6.8437","0.0017","8.314","0.002","11.273","0.003","72.794","0.005","88.741","0.005","77.95","0.004","598.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- O24 Rb4 Si8 U2 -","- O24 Rb4 Si8 U2 -","- O24 Rb4 Si8 U2 -","1","0.5","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.1087","0.0688","","","0.152","0.1734","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204539","17.725","0.005","10.149","0.003","9.547","0.003","90","","120.72","0.002","90","","1476.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F2 Ge4 N2 O10 Zr -","- C4 F2 Ge4 N2 O10 Zr -","- C16 F8 Ge16 N8 O40 Zr4 -","4","0.5","","Liu, Zhicheng; Weng, Linhong; Zhou, Yaming; Chen, Zhenxia; Zhao, Dongyuan","Synthesis of a new organically templated zeolite-like zirconogermanate (C4N2H12)[ZrGe4O10F2] with cavansite topologyElectronic supplementary information (ESI) available: tables of crystal data, including atomic coordinates, selected bond lengths and angles, and thermal parameters, and also a SEM image of FDZG-1. See http://www.rsc.org/suppdata/jm/b2/b209801f/","Journal of Materials Chemistry","2003","13","2","308","","10.1039/b209801f","","","0.71073","MoKα","","0.0298","0.0284","","","0.0772","0.078","","","","","","1.171","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204540","3.4762","0.0007","3.4762","0.0007","15.342","0.002","90","","90","","120","","160.55","0.05","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium diselenide","","","- Na0.5 Nb Se2 -","- Na0.498 Nb Se2 -","- Na0.996 Nb2 Se4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.023","0.0191","","","0.0474","0.0487","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204541","3.3533","0.0004","3.3533","0.0004","14.547","0.003","90","","90","","120","","141.66","0.04","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium disulfide","","","- Na0.51 Nb S2 -","- Na0.5 Nb S2 -","- Na Nb2 S4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.0206","0.0191","","","0.0639","0.065","","","","","","0.983","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204542","10.616","0.002","18.141","0.003","18.628","0.003","90","","103.23","0.02","90","","3492.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Ag O2 P2 -","- C41 H37 Ag O2 P2 -","- C164 H148 Ag4 O8 P8 -","4","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.046","0.0245","","0.0646","0.0548","","","","1.045","1.02","1.02","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204543","12.806","0.005","12.996","0.004","13.056","0.006","66.26","0.03","62.4","0.03","72.79","0.03","1746.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H18.5 Ag0.5 O P -","- C20.5 H18.5 Ag0.5 O P -","- C82 H74 Ag2 O4 P4 -","4","2","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.0442","0.0325","","0.1109","0.0993","","","","1.061","1.07","1.07","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204544","12.689","0.003","12.85","0.002","13.351","0.003","65.16","0.01","61.89","0.02","72.21","0.02","1726.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 Ag N O2 P2 -","- C39 H32 Ag N O2 P2 -","- C78 H64 Ag2 N2 O4 P4 -","2","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.0365","0.0249","","0.0724","0.0639","","","","0.92","0.892","0.892","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204545","5.965","0.001","8.956","0.002","10.292","0.002","90","","91.51","0.02","90","","549.63","0.19","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H7 Ag O2 -","- C5 H7 Ag O2 -","- C20 H28 Ag4 O8 -","4","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.04","0.0357","","0.1024","0.0947","","","","1.154","1.159","1.159","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204553","8.244","0.004","8.244","0.004","8.244","0.004","90","","90","","90","","560.3","0.5","295","","295","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Björk, Helen; Gustafsson, Torbjörn; Thomas, John O.; Lidin, Sven; Petříček, Václav","Long-range ordering during delithiation of LiMn2O4 cathode material","Journal of Materials Chemistry","2003","13","3","585","","10.1039/b210265j","","x-ray","0.71073","MoKα","","0.0307","0.0207","","","0.0256","0.0262","","","","2.26","2.26","2.03","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204554","8.9755","0.0015","16.22","0.003","23.691","0.007","90","","90","","90","","3449","1.3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","0.5","","Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten","Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/","Journal of Materials Chemistry","2003","13","4","778","","10.1039/b210271d","","","0.71073","MoKα","","0.1691","0.0547","","","0.0914","0.1237","","","","","","0.83","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204556","4.0502","0.0001","11.6459","0.0006","20.9044","0.0011","102.059","0.001","90.274","0.005","91.559","0.005","963.85","0.07","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","1","","Liang, Fushun; Chen, Jiangshan; Cheng, Yanxiang; Wang, Lixiang; Ma, Dongge; Jing, Xiabin; Wang, Fosong","Synthesis, characterization, photoluminescent and electroluminescent properties of new conjugated 2,2?-(arylenedivinylene)bis-8-substituted quinolines","Journal of Materials Chemistry","2003","13","6","1392","","10.1039/b210408c","","","0.71073","MoKα","","0.0733","0.0541","","","0.1584","0.1696","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204557","15.47","0.02","7.797","0.014","18.86","0.03","90","","90","","90","","2275","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O4 -","- C13 H10 O4 -","- C104 H80 O32 -","8","1","","Davidson, Louise; Blencowe, Anton; Drew, Michael G. B.; Freebairn, Keith W.; Hayes, Wayne","Synthesis and evaluation of a solid supported molecular tweezer type receptor for cholesterolElectronic supplementary information (ESI) available: synthetic procedures and analytical data for compounds 3‒8. See http://www.rsc.org/suppdata/jm/b2/b210427j/","Journal of Materials Chemistry","2003","13","4","758","","10.1039/b210427j","","","0.71073","MoKα","","0.1766","0.0764","","","0.2277","0.26","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204558","9.3592","0.001","10.577","0.004","24.232","0.003","78.042","0.017","83.862","0.007","76.41","0.014","2276.7","1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H36 F6 N3 O P -","- C8.5 H16 F3 N1.5 O0.5 P0.5 -","- C34 H64 F12 N6 O2 P2 -","4","4","","Lee, Kwang-Ming; Lee, Yi-Ting; Lin, Ivan J. B.","Supramolecular liquid crystals of amide functionalized imidazolium saltsElectronic supplementary information (ESI) available: IR, proton and carbon NMR data for all compounds. See http://www.rsc.org/suppdata/jm/b2/b210562d/","Journal of Materials Chemistry","2003","13","5","1079","","10.1039/b210562d","","","0.71073","MoKα","","0.1817","0.0958","","","0.2523","0.3117","","","","","","1.011","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204567","10.889","0.003","10.52","0.003","12.412","0.003","90","","115.7","0.02","90","","1281.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F2 H18 N4 O9 P2 Zr -","- F2 H18 N4 O9 P2 Zr -","- F8 H72 N16 O36 P8 Zr4 -","4","1","","Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo","Dimensional reduction in zirconium phosphate; from layers to ribbons to chains","Journal of Materials Chemistry","2003","13","5","1215","","10.1039/b211004k","","","0.71069","MoKα","","0.1019","0.0548","","","0.0821","0.0948","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204568","5.3511","0.0002","9.2466","0.0003","22.6443","0.0007","90","","90","","90","","1120.43","0.07","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- F H13 N3 O8.5 P2 Zr -","- F N3 O8.5 P2 Zr -","- F4 N12 O34 P8 Zr4 -","4","1","","Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo","Dimensional reduction in zirconium phosphate; from layers to ribbons to chains","Journal of Materials Chemistry","2003","13","5","1215","","10.1039/b211004k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.069","","4.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204569","9.4054","0.0002","10.8386","0.0002","14.5913","0.0004","70.143","0.001","73.789","0.001","89.673","0.001","1336.84","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17.5 N0.5 O4 -","- C30 H35 N O8 -","- C60 H70 N2 O16 -","2","1","","Bushby, Richard J.; Boden, Neville; Kilner, Colin A.; Lozman, Owen R.; Lu, Zhibao; Liu, Quanying; Thornton-Pett, Mark A.","Helical geometry and liquid crystalline properties of 2,3,6,7,10,11-hexaalkoxy-1-nitrotriphenylenesElectronic supplementary information (ESI) available: calculation of dipolar interactions, details of syntheses and analytical data, DSC data, and full details of the single-crystal structure factors plus projections along the crystallographic axes. See http://www.rsc.org/suppdata/jm/b2/b211133k/","Journal of Materials Chemistry","2003","13","3","470","","10.1039/b211133k","","","0.71073","MoKα","","0.061","0.0536","","","0.1427","0.1497","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204578","12.3225","0.0011","17.9157","0.0015","13.8165","0.0013","90","","105.553","0.001","90","","2938.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cd N2 O8 P2 -","- C10 H12 Cd N2 O8 P2 -","- C80 H96 Cd8 N16 O64 P16 -","8","1","","Lin, Zhi-En; Sun, Yan-Qiong; Zhang, Jie; Wei, Qiao-Hua; Yang, Guo-Yu","Cd(2,2'-bipy)(H2PO4)2: the first cadmium phosphate with an organic amine acting as a ligandElectronic supplementary information (ESI) available: IR spectrum, X-ray powder diffraction patterns (experimental and simulated) and TGA curve for Cd(2,2'-bipy)(H2PO4)2, and table of hydrogen bond lengths and angles. See http://www.rsc.org/suppdata/jm/b2/b211928e/","Journal of Materials Chemistry","2003","13","3","447","","10.1039/b211928e","","","0.71073","MoKα","","0.0809","0.0539","","","0.1064","0.1206","","","","","","1.096","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204579","9.8453","0.0016","16.53","0.003","7.2587","0.0009","90","","96.531","0.011","90","","1173.6","0.3","298.2","","298.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C44 H64 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.0783","0.0445","","","0.1241","0.1335","","","","","","1.016","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204580","9.925","0.002","9.317","0.002","12.972","0.003","90","","107.905","0.004","90","","1141.4","0.4","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C44 H64 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71073","MoKα","","0.0606","0.0479","","","0.1509","0.1588","","","","","","1.051","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204581","13.0654","0.0013","14.4171","0.0019","12.874","0.0017","90","","90","","90","","2425","0.5","298.2","","298.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C88 H128 N24 O16 -","8","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.0674","0.0414","","","0.1172","0.1254","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204582","12.284","0.004","12.657","0.005","10.953","0.004","90","","111.72","0.02","90","","1582.1","1","298.2","","298.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4-(1'-pyrrolyl)phenylNN","","","- C17 H20 N3 O2 -","- C17 H20 N3 O2 -","- C68 H80 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.1775","0.0588","","","0.1097","0.1276","","","","","","0.855","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204583","14.2727","0.0016","14.2727","0.0016","14.2727","0.0016","88.309","0.017","88.309","0.017","88.309","0.017","2903.8","0.6","301","2","301","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C44 H8.67 F20 N4 O0.33 Pt -","- C44 H8 F20 N4 O0.333333 Pt -","- C132 H24 F60 N12 O Pt3 -","3","0.5","","Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue","[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodes","Journal of Materials Chemistry","2003","13","6","1362","1366","10.1039/b212204a","","","0.71073","MoKα","","0.0466","0.0336","","","0.0848","0.0989","","","","","","0.994","","","","has coordinates","297179","2025-01-07","15:13:37",""
"7204587","7.1367","0.0006","10.6154","0.0009","11.0626","0.0009","85.541","0.001","83.15","0.001","70.652","0.001","784.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu2 N6 O18 P2 -","- C24 H28 Cu2 N6 O18 P2 -","- C24 H28 Cu2 N6 O18 P2 -","1","0.5","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic–inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.0426","0.0347","","","0.0832","0.0865","","","","","","0.95","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204588","7.3914","0.0017","9.863","0.002","10.311","0.002","107.03","0.004","105.119","0.004","98.158","0.004","674.2","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H9 Cu N3 O6 P V -","- C10 H9 Cu N3 O6 P V -","- C20 H18 Cu2 N6 O12 P2 V2 -","2","1","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.1393","0.057","","","0.0888","0.108","","","","","","0.765","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204589","13.9768","0.0016","22.157","0.003","9.1984","0.001","90","","103.165","0.002","90","","2773.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 O5.63 P0.5 V -","- C10 H8 N2 O5.57 P0.5 V -","- C80 H64 N16 O44.56 P4 V8 -","8","1","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.0863","0.0668","","","0.2009","0.2228","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204590","7.413","0.001","12.9922","0.0005","14.9682","0.0005","87.8","0.1","78.85","0.1","78.09","0.1","1383.9","0.7","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N8 O29 P5 V4 -","- C40 H32 Cu4 N8 O29 P5 V4 -","- C40 H32 Cu4 N8 O29 P5 V4 -","1","0.5","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71069","MoKα","","0.0682","0.0682","","","0.0887","0.0887","","","","0.95","0.95","0.95","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204592","12.725","0.0003","12.8573","0.0001","21.6933","0.0004","90","","90","","90","","3549.22","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Ga N O5 S4 -","- C34 H36 Ga N O4.99 S3.99 -","- C136 H144 Ga4 N4 O19.96 S15.96 -","4","1","","Deivaraj, Theivanayagam C.; Lin, Ming; Loh, Kian Ping; Yeadon, Mark; Vittal, Jagadese J.","Trialkylammonium salts of [M(SC{O}R)4]‒ (M = Ga3+ and In3+) as precursors for metal sulfide thin films","Journal of Materials Chemistry","2003","13","5","1149","","10.1039/b212856j","","","0.71073","MoKα","","0.1299","0.0691","","","0.1265","0.1482","","","","","","1.033","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204593","8.703","0.002","13.522","0.001","8.3084","0.0007","96.493","0.009","91.11","0.01","76.89","0.01","946.1","0.2","298.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 I N5 -","- C20 H19 I N5 -","- C40 H38 I2 N10 -","2","1","","Mukai, Kazuo; Jinno, Syunsuke; Shimobe, Yasuo; Azuma, Nagao; Taniguchi, Masateru; Misaki, Yohji; Tanaka, Kazuyoshi; Inoue, Katsuya; Hosokoshi, Yuko","Genuine organic magnetic semiconductors: electrical and magnetic properties of the TCNQ and iodide salts of methylpyridinium-substituted verdazyl radicals","Journal of Materials Chemistry","2003","13","7","1614","","10.1039/b300029j","","","1.5418","CuKα","","","0.0409","","","","0.1265","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204598","7.7805","0.0008","9.2982","0.0011","12.251","0.002","74.53","0.013","83.433","0.013","75.538","0.011","826","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F6 O6 Ru -","- C12 H8 F6 O6 Ru -","- C24 H16 F12 O12 Ru2 -","2","1","","Lai, Ying-Hui; Chen, Yao-Lun; Chi, Yun; Liu, Chao-Shiuan; Carty, Arthur J.; Peng, Shie-Ming; Lee, Gene-Hsiang","Deposition of Ru and RuO2 thin films employing dicarbonyl bis-diketonate ruthenium complexes as CVD source reagents","Journal of Materials Chemistry","2003","13","8","1999","","10.1039/b300517h","","","0.71073","MoKα","","0.03","0.0267","","0.0756","0.0741","","","","1.089","1.118","1.118","","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204599","9.625","0.008","10.143","0.009","11.18","0.009","103.44","0.08","80.97","0.09","111.88","0.09","982.1","1.6","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H62 Cd2 N2 P4 Se4 -","- C26 H62 Cd2 N2 P4 Se4 -","- C26 H62 Cd2 N2 P4 Se4 -","1","0.5","","Afzaal, Mohammmad; Crouch, David; Malik, Mohammad A.; Motevalli, Majid; O'Brien, Paul; Park, Jin-Ho","Deposition of CdSe thin films using a novel single-source precursor; [MeCd{(SePiPr2)2N}]2","Journal of Materials Chemistry","2003","13","4","639","","10.1039/b300608p","","","0.71073","MoKα","","0.0409","0.0283","","","0.0705","0.0745","","","","","","1.038","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204600","13.4902","0.001","13.4902","0.0009","14.7578","0.0011","90","","90","","120","","2325.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","R -3 m :H","-R 3 2""","166","","","","- C39 H24 F3 N3 O72 Si36 -","- C39 F2.88 N3 O72 Si36 -","- C39 F2.88 N3 O72 Si36 -","1","0.0277778","","Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.","The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA","Journal of Materials Chemistry","2003","13","8","1978","","10.1039/b300728f","","","0.6984","synchrotron","","0.062","0.058","","","0.1658","0.1689","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204601","7.3952","0.0015","14.099","0.003","18.761","0.004","90","","90","","90","","1956.1","0.7","210","2","210","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C20 H24 F4 N4 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","1","0.125","","Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.","The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA","Journal of Materials Chemistry","2003","13","8","1978","","10.1039/b300728f","","","0.6942","Synchrotron","","0.0539","0.0465","","","0.1281","0.1338","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204605","20.223","0.002","7.0107","0.0005","19.581","0.002","90","","90","","90","","2776.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Cl O4 S5 -","- C9 H8 Cl O4 S5 -","- C72 H64 Cl8 O32 S40 -","8","1","","Philippe Leriche; Jean-Manuel Raimundo; Mathieu Turbiez; Vincent Monroche; Magali Allain; François-Xavier Sauvage; Jean Roncali; Pierre Frère; Peter J. Skabara","Linearly extended tetrathiafulvalene analogues with fused thiophene units as π-conjugated spacers","J. Mater. Chem.","2003","13","6","1324","1332","10.1039/b301149f","","","0.71073","MoKα","","0.1226","0.0502","","","0.0947","0.1117","","","","","","0.798","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204606","5.1167","","10.4646","","17.6228","","90","","90","","90","","943.599","","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li2 Mg2 Mo3 O12 -","- Li2.001 Mg1.999 Mo3 O12 -","- Li8.004 Mg7.996 Mo12 O48 -","4","0.5","","Sebastian, Litty; Piffard, Y.; Shukla, A. K.; Taulelle, F.; Gopalakrishnan, J.","Synthesis, structure and lithium-ion conductivity of Li2?2xMg2+x(MoO4)3 and Li3M(MoO4)3 (MIII = Cr, Fe)Electronic supplementary information (ESI) available: anisotropic displacement parameters and XRPD data for Li2Mg2(MoO4)3. See http://www.rsc.org/suppdata/jm/b3/b301189e/","Journal of Materials Chemistry","2003","13","7","1797","","10.1039/b301189e","","x-ray","0.71073","MoKα","","0.066","0.0308","","0.0251","0.024","","","","1.7","1.43","1.43","","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7204609","11.937","0.001","10.53","0.001","16.956","0.002","90","","90.32","0.01","90","","2131.3","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Pd S4 -","- C16 H13 Cl2 Pd S4 -","- C64 H52 Cl8 Pd4 S16 -","4","1","","Mucci, Adele; Parenti, Francesca; Pigani, Laura; Seeber, Renato; Zanardi, Chiara; Pilo, Maria I.; Spano, Nadia; Manassero, Mario","The effect of Pd(ii) coordination on the properties of an alkylsulfanyl substituted polythiophene. Comparison with the corresponding monomer","Journal of Materials Chemistry","2003","13","6","1287","","10.1039/b301932m","","","0.7107","Mo-Kα","","0.046","0.046","","","0.071","","","","1.021","1.021","1.021","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204613","28.324","0.011","13.313","0.005","16.721","0.006","90","","113.7","0.4","90","","5773","18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","copper(i) complex","","","- C28 H28 B Cu F4 N4 O2 -","- C28 H28 B Cu F4 N4 O2 -","- C224 H224 B8 Cu8 F32 N32 O16 -","8","1","","Laurent Douce; Thanh Hung Diep; Raymond Ziessel; Antoine Skoulios; Michèle Césario","Columnar liquid crystals from wedge-shaped tetrahedral copper(I) complexes","J. Mater. Chem.","2003","13","7","1533","1539","10.1039/b302038j","","","0.7107","MoKα","","0.1141","0.0719","","0.2248","","0.1921","","","1.029","","","1.125","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204614","17.682","0.004","6.0098","0.0012","5.1917","0.001","90","","90","","90","","551.7","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As Cd H6 N O5 -","- As Cd N O5 -","- As4 Cd4 N4 O20 -","4","0.5","","Christopher D. Johnson; Janet M. S. Skakle; Magnus G. Johnston; Jörg Feldmann; Donald E. Macphee","Hydrothermal synthesis, crystal structure and aqueous stability of two cadmium arsenate phases, CdNH4(HAsO4)OH and Cd5H2(AsO4)4·4H2O","J. Mater. Chem.","2003","13","6","1429","1432","10.1039/b302154h","","","0.71073","MoKα","","0.0505","0.0303","","","0.0586","0.062","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204615","18.382","0.002","9.7192","0.0013","9.9791","0.0013","90","","96.369","0.003","90","","1771.8","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 Cd5 H10 O20 -","- As4 Cd5 O20 -","- As16 Cd20 O80 -","4","0.5","","Christopher D. Johnson; Janet M. S. Skakle; Magnus G. Johnston; Jörg Feldmann; Donald E. Macphee","Hydrothermal synthesis, crystal structure and aqueous stability of two cadmium arsenate phases, CdNH4(HAsO4)OH and Cd5H2(AsO4)4·4H2O","J. Mater. Chem.","2003","13","6","1429","1432","10.1039/b302154h","","","0.6928","synchrotron","","0.0401","0.0398","","","0.0984","0.0988","","","","","","1.212","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204630","7.5296","0.0009","6.6592","0.0008","10.1513","0.0012","90","","94.46","0.002","90","","507.46","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","pyridinium trivanadate heptaoxide","","- C5 H6 N O7 V3 -","- C5 H6 N O7 V3 -","- C10 H12 N2 O14 V6 -","2","1","","Lutta, Samuel T.; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","Solvothermal synthesis and characterization of a layered pyridinium vanadate, (C5H6N)V3O7","Journal of Materials Chemistry","2003","13","6","1424","","10.1039/b302534a","","","0.71073","MoKα","","0.0491","0.0406","","","0.0934","0.0984","","","","","","1.018","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204633","19.66","0.005","16.984","0.005","10.086","0.003","90","","104.492","0.005","90","","3260.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 In N3 S6 -","- C24 H47 In N3 S6 -","- C96 H188 In4 N12 S24 -","4","1","","Park, Jin-Ho; Afzaal, Mohammad; Kemmler, Michael; O'Brien, Paul; Otway, David J.; Raftery, Jim; Waters, John","The deposition of thin films of CuME2 by CVD techniques (M = In, Ga and E = S, Se)","Journal of Materials Chemistry","2003","13","8","1942","","10.1039/b302896h","","","0.71073","MoKα","","0.108","0.0679","","","0.1623","0.1822","","","","","","1.091","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204635","5.362","0.0011","6.145","0.0012","20.668","0.004","86.23","0.03","88.2","0.03","68.4","0.03","631.8","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 S14 -","- C18 H14 S14 -","- C18 H14 S14 -","1","0.5","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0588","0.0452","","","0.1055","0.109","","","","","","0.929","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204636","8.5358","0.0017","12.105","0.002","12.197","0.002","67.7","0.03","89.67","0.03","79.61","0.03","1144.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H14 F8 N8 S14 -","- C42 H14 F8 N8 S14 -","- C42 H14 F8 N8 S14 -","1","0.5","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.1295","0.0612","","","0.143","0.193","","","","","","0.91","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204637","7.62","0.0015","13.024","0.003","15.709","0.003","97.76","0.03","96.96","0.03","101.04","0.03","1498.7","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H15 Cl F6 P S14 -","- C18.5 H14 Cl F6 P S14 -","- C37 H28 Cl2 F12 P2 S28 -","2","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0779","0.0427","","","0.0897","0.1145","","","","","","0.955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204638","7.83","0.0016","13.263","0.003","15.691","0.003","97.26","0.03","99.53","0.03","100.75","0.03","1557.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H15 As Cl F6 S14 -","- C18.5 H14 As Cl F6 S14 -","- C37 H28 As2 Cl2 F12 S28 -","2","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0785","0.0453","","","0.1062","0.1139","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204639","7.5666","0.0015","28.34","0.006","13.239","0.003","90","","104.09","0.03","90","","2753.5","1.1","123","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F4 S14 -","- C18 H14 B F4 S14 -","- C72 H56 B4 F16 S56 -","4","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0849","0.0404","","","0.0635","0.0689","","","","","","0.784","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204641","7.4704","0.0004","8.5931","0.0005","9.3","0.0006","114.805","0.002","93.823","0.002","114.385","0.002","472.35","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H7 N O8 Se3 Zn -","- C2 H7 N O8 Se3 Zn -","- C4 H14 N2 O16 Se6 Zn2 -","2","1","","Udayakumar, D.; Rao, C. N. R.","Organically templated three-dimensional open-framework metal selenites with a diamondoid network","Journal of Materials Chemistry","2003","13","7","1635","","10.1039/b303323f","","","0.71073","MoKα","","0.045","0.0416","","0.107","0.1057","","","","1.032","1.086","1.086","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204647","8.692","0.001","7.562","0.001","13.034","0.003","90","","102.53","0.01","90","","836.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazine","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene–2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0604","0.048","","","0.136","0.1466","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204648","6.863","0.001","8.088","0.001","10.548","0.002","67.82","0.01","80.11","0.01","80.11","0.01","530.43","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazinium bis(tetrafluoroborate) salt","","- C20 H22 B2 F8 N2 O2 -","- C20 H22 B2 F8 N2 O2 -","- C20 H22 B2 F8 N2 O2 -","1","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene‒2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0937","0.0563","","","0.1068","0.1222","","","","","","1.04","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204649","3.803","0.001","23.231","0.007","8.955","0.003","90","","101.21","0.01","90","","776.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-bis(6-methoxypyridin-3-yl)-3,6-dimethylpyrazine","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene–2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0498","0.0401","","","0.0988","0.1036","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204654","14.6797","0.0006","10.1204","0.0004","16.6015","0.0007","90","","90","","90","","2466.39","0.17","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methylammonium zinc phosphate","","","- C H6 N O12 P3 Zn4 -","- C H6 N O12 P3 Zn4 -","- C8 H48 N8 O96 P24 Zn32 -","8","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0274","0.024","","","0.0542","0.0555","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204655","7.259","0.0019","13.407","0.004","18.031","0.005","90","","90","","90","","1754.8","0.8","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","methylammonium zinc phosphate","","","- C2 H12 N2 O16 P4 Zn5 -","- C2 H12 N2 O16 P4 Zn5 -","- C8 H48 N8 O64 P16 Zn20 -","4","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0848","0.0774","","","0.1765","0.1805","","","","","","1.095","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204656","5.6139","0.0005","11.0646","0.0012","11.2402","0.0011","92.489","0.008","91.835","0.006","101.208","0.007","683.65","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","1","0.5","","Van Deun, Rik; Parac-Vogt, Tatjana N.; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Guillon, Daniel; Donnio, Bertrand","Liquid-crystalline azines formed by the rare-earth promoted decomposition of hydrazide ?habbe? ligands: structural and thermal properties","Journal of Materials Chemistry","2003","13","7","1639","","10.1039/b303941m","","","1.54178","CuK\α","","0.0779","0.0679","","","0.1847","0.1986","","","","","","0.988","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204657","9.6992","0.0009","12.5318","0.0014","14.6417","0.0015","77.935","0.007","88.098","0.009","71.147","0.008","1645.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H52 Cl4 O12 -","- C82 H52 Cl4 O12 -","- C82 H52 Cl4 O12 -","1","0.5","","Howard M. Colquhoun; Mikhail G. Zolotukhin; Lionel G. Sestiaa; Fabio Aricó; Zhixue Zhu; Philip Hodge; Abderrazak Ben-Haida; David J. Williams","Microfabrication of high-performance aromatic polymers as nanotubes or fibrils by in situ ring-opening polymerisation of macrocyclic precursors","J. Mater. Chem.","2003","13","7","1504","1506","10.1039/b303948j","","","1.54178","CuKα","","0.0644","0.0509","","0.1492","0.1347","","","","1.037","1.063","1.063","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204658","9.461","0.0008","8.3565","0.0007","9.477","0.001","90","","99.908","0.009","90","","738.08","0.12","293","","293","","","","","","","","synthesis described in paper","5","P 1 21/a 1","-P 2yab","14","","ammonium manganese(II) pyrophosphate hydrate","","- H12 Mn3 N2 O16 P4 -","- H12 Mn3 N2 O16 P4 -","- H24 Mn6 N4 O32 P8 -","2","0.5","","Chippindale, Ann M.; Gaslain, Fabrice O. M.; Bond, Andrew D.; Powell, Anthony V.","Synthesis, structure and magnetic characterisation of a new layered ammonium manganese(ii) diphosphate hydrate, (NH4)2[Mn3(P2O7)2(H2O)2]Electronic supplementary information (ESI) available: powder XRD data, atomic coordinates and thermal parameters, IR data, bond valence calculations, TGA. See http://www.rsc.org/suppdata/jm/b3/b304003h/","Journal of Materials Chemistry","2003","13","8","1950","","10.1039/b304003h","","","1.5418","CuKα","","","0.0351","","","","0.0411","","","","","","1.1285","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204672","9.3444","0.0015","16.03","0.003","17.888","0.003","90","","91.768","0.004","90","","2678.2","0.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O6 Zr -","- C22 H42 N2 O6 Zr -","- C88 H168 N8 O24 Zr4 -","4","1","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.0374","0.03","","","0.0777","0.0825","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204673","9.85","0.02","15.4","0.03","18.71","0.03","90","","97.15","0.05","90","","2816","9","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 O8 Zr -","- C22 H40 O8 Zr -","- C88 H160 O32 Zr4 -","4","0.5","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.0736","0.0638","","","0.1577","0.1655","","","","","","1.131","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204674","10.977","0.003","13.192","0.004","16.218","0.005","74.74","0.02","89.86","0.02","89.86","0.03","2265.7","1.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H68 O12 Zr2 -","- C34 H68 O12 Zr2 -","- C68 H136 O24 Zr4 -","2","1","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.1133","0.0693","","","0.189","0.2415","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204681","15.0502","0.0006","15.0545","0.0006","21.5114","0.0004","90","","89.962","0.004","90","","4873.9","0.3","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","?","- Bi64 O224 Sn64 -","- Bi64 O224 Sn64 -","","","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.","?-Bi2Sn2O7 ? a 176 atom crystal structure from powder diffraction data","Journal of Materials Chemistry","2003","13","9","2098","","10.1039/b305211g","","","","","","","","","","","","","","","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204693","5.7222","0.0005","4.9314","0.0003","6.8872","0.0004","90","","98.786","0.004","90","","192.07","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","zn2(oh)bo3","","","- B H O4 Zn2 -","- B O4 Zn2 -","- B2 O8 Zn4 -","2","1","","Yu, Zhen-Tao; Xu, Jin-Jie; Jiang, Yu-Sheng; Shi, Zhan; Guo, Ying; Wang, De-Jun; Chen, Jie-Sheng","Photoluminescent and photovoltaic properties observed in a zinc borate Zn2(OH)BO3Electronic supplementary information (ESI) available: Crystallographic details and ORTEP plot of the asymmetric unit of Zn2(OH)BO3. XPS and IR spectra and DT?TGA curves for Zn2(OH)BO3. See http://www.rsc.org/suppdata/jm/b3/b305968e/","Journal of Materials Chemistry","2003","13","9","2227","","10.1039/b305968e","","","0.71073","MoKα","","0.029","0.0287","","","0.0714","0.0716","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204696","11.3962","0.0001","11.9752","0.0001","28.0596","0.0004","81.8236","0.0005","86.7661","0.0004","86.6659","0.0008","3779.51","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 Bi N3 Se6 -","- C27 H54 Bi N3 Se6 -","- C108 H216 Bi4 N12 Se24 -","4","2","","Monteiro, Olinda C.; Trindade, Tito; Paz, Filipe A. Almeida; Klinowski, Jacek; Waters, John; O'Brien, Paul","Aerosol-assisted metallo-organic chemical vapour deposition of Bi2Se3 films using single-molecule precursors. The crystal structure of bismuth(iii) dibutyldiselenocarbamate","Journal of Materials Chemistry","2003","13","12","3006","","10.1039/b306662m","","","0.71073","MoKα","","0.0867","0.0585","","","0.1305","0.1477","","","","","","1.035","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204711","6.592","0.002","6.592","0.002","6.592","0.002","90","","90","","90","","286.45","0.15","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag2 Li Sn -","- Ag2 Li Sn -","- Ag8 Li4 Sn4 -","4","0.0208333","","Zhiyun Wu; Rolf-Dieter Hoffmann; Dirk Johrendt; Bernd D. Mosel; Hellmut Eckert; Rainer Pöttgen","Electronic structure, physical properties and ionic mobility of LiAg2Sn","J. Mater. Chem.","2003","13","10","2561","2565","10.1039/b306855m","","","0.71073","MoKα","","0.0158","0.0154","","","0.0445","0.045","","","","","","1.203","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204712","8.457","0.002","18.553","0.004","13.006","0.003","90","","90","","90","","2040.7","0.8","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H18 O6 S3 -","- C21 H18 O6 S3 -","- C84 H72 O24 S12 -","4","0.5","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.0622","0.053","","","0.1679","0.1758","","","","","","1.423","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204713","9.913","0.002","10.263","0.002","10.766","0.002","94.82","0.03","111.22","0.03","107.38","0.03","951.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 O6 S2 -","- C21 H18 O6 S2 -","- C42 H36 O12 S4 -","2","1","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.0769","0.0459","","","0.1183","0.1416","","","","","","0.879","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204714","7.9335","0.0016","11.415","0.002","14.062","0.003","76.79","0.03","83.82","0.03","89.09","0.03","1232.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O5 S3 -","- C27 H20 N2 O5 S3 -","- C54 H40 N4 O10 S6 -","2","1","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.1334","0.0627","","","0.124","0.1488","","","","","","0.965","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204726","7.4164","0.0002","11.0544","0.0003","10.6791","0.0004","90","","105.361","0.001","90","","844.24","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 Br2 S3 -","- C5 H2 Br2 S3 -","- C20 H8 Br8 S12 -","4","1","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0615","0.0572","","","0.1455","0.1516","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204727","13.1863","0.0004","5.1102","0.0002","14.3454","0.0004","90","","105.854","0.002","90","","929.89","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 S3 -","- C6 H4 Br2 S3 -","- C24 H16 Br8 S12 -","4","1","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0442","0.0402","","","0.1034","0.1064","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204728","8.7028","0.0002","9.1688","0.0003","15.066","0.0005","75.457","0.001","89.666","0.002","64.081","0.002","1039.13","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Br2 S3 -","- C7 H6 Br2 S3 -","- C28 H24 Br8 S12 -","4","2","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0587","0.052","","","0.1334","0.1391","","","","","","1.019","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204906","20.9371","0.0005","21.3218","0.0004","8.1858","0.0002","90","","104.179","0.001","90","","3542.95","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 O7 Y -","- C21 H14 O7 Y -","- C168 H112 O56 Y8 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0709","0.0378","","","0.0702","0.0816","","","","","","1.024","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205044","20.9868","0.0006","21.5521","0.0007","8.3162","0.0003","90","","103.95","0.001","90","","3650.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Nd O7 -","- C21 H14 Nd O7 -","- C168 H112 Nd8 O56 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0284","0.0216","","","0.0524","0.0546","","","","","","0.969","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205045","20.9794","0.0007","21.3829","0.0007","8.2116","0.0003","90","","104.089","0.001","90","","3572.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Dy O7 -","- C21 H14 Dy O7 -","- C168 H112 Dy8 O56 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0315","0.0242","","","0.0601","0.0631","","","","","","1.049","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205047","8.2152","0.0004","8.9387","0.0004","12.3961","0.0005","109.846","0.001","92.651","0.001","106.725","0.001","809.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","1","0.5","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.031","0.028","","","0.0725","0.0743","","","","","","1.023","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205048","7.8365","0.001","8.2326","0.0011","10.7944","0.0015","111.154","0.002","95.728","0.002","94.674","0.002","641.03","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu N6 O6 -","- C10 H7 Cu N6 O6 -","- C20 H14 Cu2 N12 O12 -","2","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.039","0.0305","","","0.0722","0.0774","","","","","","1.036","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205049","5.8768","0.0005","13.1226","0.0012","11.5664","0.0011","90","","94.788","0.001","90","","888.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cd N6 O3 -","- C6 H5 Cd N6 O3 -","- C24 H20 Cd4 N24 O12 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0164","0.0157","","","0.0396","0.04","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205050","16.1407","0.0006","6.9435","0.0002","30.3299","0.0011","90","","90","","90","","3399.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl2 Hg2 N12 -","- C10 H6 Cl2 Hg2 N12 -","- C80 H48 Cl16 Hg16 N96 -","8","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0373","0.0336","","","0.0859","0.0881","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205051","7.3629","0.0003","13.9028","0.0006","11.8372","0.0004","90","","123.425","0.002","90","","1011.31","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cd Cl N6 O2 -","- C5 H7 Cd Cl N6 O2 -","- C20 H28 Cd4 Cl4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0361","0.0355","","","0.0775","0.0778","","","","","","1.076","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205052","5.594","0.0009","12.643","0.002","11.2431","0.0016","90","","106.662","0.007","90","","761.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Hg0.5 N6 O -","- C5 H5 Hg0.5 N6 O -","- C20 H20 Hg2 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0389","0.0326","","","0.087","0.0931","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205053","7.4195","0.0011","13.9422","0.0019","9.9089","0.0014","90","","95.093","0.002","90","","1021","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Br Cd N6 O2 -","- C5 H7 Br Cd N6 O2 -","- C20 H28 Br4 Cd4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.043","0.0411","","","0.1052","0.1063","","","","","","1.055","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205054","7.276","0.002","10.159","0.003","16.055","0.005","90","","112.545","0.011","90","","1096","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd I N6 O -","- C5 H5 Cd I N6 O -","- C20 H20 Cd4 I4 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0221","0.0202","","","0.0525","0.0533","","","","","","1.053","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205055","7.2819","0.0006","17.4904","0.0016","14.8161","0.001","90","","115.224","0.003","90","","1707.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg1.5 N15 O2 -","- C10 H10 Hg1.5 N15 O2 -","- C40 H40 Hg6 N60 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0327","0.0282","","","0.071","0.0734","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205056","9.6892","0.0016","9.8474","0.0016","13.533","0.002","99.395","0.002","109.368","0.002","101.945","0.002","1153.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu Mo4 N6 O15 -","- C12 H14 Cu Mo4 N6 O15 -","- C24 H28 Cu2 Mo8 N12 O30 -","2","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0387","0.035","","","0.0996","0.104","","","","","","1.061","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205057","10.626","0.0007","15.8212","0.001","12.8521","0.0008","90","","100.703","0.001","90","","2123.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Mo8 N12 O26 -","- C24 H24 Mo8 N12 O26 -","- C48 H48 Mo16 N24 O52 -","2","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic–inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.027","0.024","","","0.0592","0.0608","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205058","7.663","0.0004","29.474","0.0017","9.7421","0.0006","90","","101.823","0.001","90","","2153.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo4 N6 O14 -","- C12 H12 Cu Mo4 N6 O14 -","- C48 H48 Cu4 Mo16 N24 O56 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0231","0.021","","","0.0482","0.049","","","","","","1.099","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205059","10.9052","0.0006","17.603","0.001","7.8921","0.0004","90","","92.64","0.002","90","","1513.39","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo N6 O5 -","- C12 H12 Cu Mo N6 O5 -","- C48 H48 Cu4 Mo4 N24 O20 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0713","0.0448","","","0.0912","0.1045","","","","","","1.054","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205060","9.5193","0.0008","10.9534","0.0009","11.4935","0.0009","91.786","0.001","113.8","0.001","105.469","0.001","1043.61","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","1","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0277","0.0264","","","0.0702","0.071","","","","","","1.103","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205061","14.7948","0.0005","43.785","0.002","18.951","0.001","90","","100.165","0.004","90","","12083.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C254 H286 N4 O64 P8 S8 -","- C254 H286 N4 O64 P8 S8 -","- C508 H572 N8 O128 P16 S16 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.1884","0.1152","","","0.2746","0.3115","","","","","","1.012","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205062","14.1154","0.0002","14.1154","","47.0311","0.0004","90","","90","","90","","9370.69","0.15","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C78 H108 Gd2 N4 O50 S8 -","- C78 H108 Gd2 N4 O50 S8 -","- C312 H432 Gd8 N16 O200 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.071","0.0701","","","0.1831","0.1841","","","","","","1.004","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205063","12.6886","0.0003","14.0567","0.0004","14.1856","0.0006","96.182","0.001","110.043","0.001","116.463","0.002","2023.28","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","","- C49 H54 N2 O6 -","- C49 H54 N2 O6 -","- C98 H108 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1494","0.0685","","","0.1529","0.182","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205064","11.61","0.002","11.669","0.002","18.732","0.004","78.05","0.03","82.69","0.03","60.57","0.03","2161.4","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di- ethylenediamine salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di-ethylenediamine salt","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.098","0.0881","","","0.1657","0.1704","","","","","","1.252","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205065","12.7812","0.0005","14.0559","0.0005","14.2325","0.0005","64.129","0.002","69.975","0.002","64.398","0.002","2037.1","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","","- C50 H56 N2 O6 -","- C50 H56 N2 O6 -","- C100 H112 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1132","0.0579","","","0.1182","0.142","","","","","","1.016","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205066","12.6048","0.0007","13.1155","0.0008","15.0029","0.0007","82.348","0.003","75.666","0.003","63.13","0.003","2142.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1266","0.0846","","","0.1399","0.1581","","","","","","1.113","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205067","12.6805","0.0002","13.8085","0.0003","14.8731","0.0003","113.964","0.001","93.672","0.001","108.788","0.001","2195.08","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C48 H51 Cl3 N2 O6 -","- C48 H51 Cl3 N2 O6 -","- C96 H102 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.135","0.0555","","","0.1105","0.134","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205068","12.8654","0.0002","14.0595","0.0002","14.5748","0.0003","114.863","0.001","91.742","0.001","109.327","0.001","2212.46","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) butylenediamine hemi-salt","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) butylenediamine hemi-salt","","- C49 H53 Cl3 N2 O6 -","- C49 H53 Cl3 N2 O6 -","- C98 H106 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.2151","0.0772","","","0.164","0.2137","","","","","","1.023","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205069","18.984","0.003","7.3315","0.0011","16.506","0.003","90","","119.337","0.002","90","","2002.7","0.6","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H42 Cd3 O26 -","- C30 H42 Cd3 O26 -","- C60 H84 Cd6 O52 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0575","0.0467","","","0.081","0.0823","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205070","11.845","0.002","14.043","0.003","17.092","0.003","90","","108.75","0.003","90","","2692.2","0.9","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C45 H44 Cd2 N6 O20 -","- C45 H44 Cd2 N6 O20 -","- C90 H88 Cd4 N12 O40 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0675","0.0547","","","0.1447","0.1501","","","","","","1.071","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205071","6.94","0.003","9.896","0.004","13.149","0.005","94.652","0.007","99.553","0.007","96.088","0.008","881","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N O7 -","- C20 H14 Mn N O7 -","- C40 H28 Mn2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0997","0.0616","","","0.0882","0.0949","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205072","6.93","0.002","9.658","0.003","13.022","0.004","93.719","0.006","99.179","0.006","94.856","0.007","854.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N O7 -","- C20 H14 Co N O7 -","- C40 H28 Co2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0978","0.064","","","0.156","0.1655","","","","","","1.022","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205073","10.2868","0.0001","10.7031","0.0002","21.5105","0.0003","80.713","0.001","84.376","0.001","84.733","0.001","2319.06","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C48 H58 Cu4 Mo10 N32 O52 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0386","0.0298","","","0.0691","0.0737","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205074","11.9385","0.0004","12.8328","0.0004","19.2691","0.0006","78.616","0.001","77.813","0.001","71.08","","2703.01","0.15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","1","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0381","0.0314","","","0.0785","0.0828","","","","","","1.013","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205075","11.8981","0.0005","18.8195","0.0007","12.6","0.0005","90","","105.865","0.001","90","","2713.88","0.19","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C72 H70 Cu6 Mo10 N36 O50 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0597","0.0451","","","0.0764","0.0851","","","","","","1.001","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205076","20.7624","0.0007","11.4376","0.0004","16.7341","0.0006","90","","102.662","0.001","90","","3877.2","0.2","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C48 H72 Cu8 Mg4 Mo20 N32 O116 P8 -","4","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0669","0.0433","","","0.1089","0.1191","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205077","13.853","0.003","13.391","0.003","18.438","0.007","90","","119.54","0.02","90","","2975.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Co3 F2 N6 O26 -","- C64 H62 Co3 F2 N6 O26 -","- C128 H124 Co6 F4 N12 O52 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0365","0.0305","","","0.0773","0.0799","","","","","","1.008","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205078","13.859","0.003","13.313","0.003","18.894","0.007","90","","119.31","0.02","90","","3039.8","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 F2 N6 O26 Zn3 -","- C64 H62 F2 N6 O26 Zn3 -","- C128 H124 F4 N12 O52 Zn6 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0928","0.0736","","","0.1943","0.2126","","","","","","1.015","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205079","12.606","0.003","13.815","0.003","14.013","0.003","78.919","0.002","86.321","0.002","87.03","0.002","2388","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.33 H74.07 Cl12 Mn4 N14 Nb6 O13.7 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","1","0.5","","Zhang, Jian-Jun; Day, Cynthia S.; Lachgar, Abdessadek","Self-assembly and solvent-mediated structural transformation of one-dimensional cluster-based coordination polymer","CrystEngComm","2011","13","1","133","","10.1039/c004119j","","","0.71073","MoKα","","0.0715","0.047","","","0.1038","0.1119","","","","","","0.972","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205080","7.714","0.0015","9.76","0.002","15.675","0.003","90.12","0.02","96.87","0.03","107.23","0.03","1118.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","","- C38 H56 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","1","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.2223","0.0523","","","0.0788","0.1002","","","","","","0.772","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205081","16.674","0.003","8.545","0.002","19.279","0.004","90","","90","","90","","2746.9","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne","","- C12 H18 O5 S -","- C12 H18 O5 S -","- C96 H144 O40 S8 -","8","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1118","0.0511","","","0.1407","0.158","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205082","7.219","0.001","10.992","0.002","13.356","0.003","89.43","0.02","78.84","0.02","80.8","0.02","1026.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1119","0.0478","","","0.1088","0.1294","","","","","","0.93","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205083","9.945","0.002","15.102","0.003","12.647","0.002","90","","91.68","0.02","90","","1898.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne ethanebis(thioamide)","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne ethanebis(thioamide)","","- C14 H22 N2 O5 S3 -","- C14 H20.984 N2 O5 S3 -","- C56 H83.936 N8 O20 S12 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0724","0.0364","","","0.0829","0.0902","","","","","","0.98","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205084","7.965","0.002","10.521","0.002","13.08","0.003","90","","93.68","0.02","90","","1093.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine ethanebis(thioamide) clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine ethanebis(thioamide) clathrate","","- C20 H26 N2 O5 S2 -","- C20 H26 N2 O5 S2 -","- C40 H52 N4 O10 S4 -","2","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0707","0.0423","","","0.1143","0.1213","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205085","10.536","0.002","15.585","0.004","13.639","0.003","90","","91.17","0.02","90","","2239.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b) (1,4,7,10,13)pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b] [1,4,7,10,13]pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","","- C20 H28 N4 O7 -","- C20 H28 N4 O7 -","- C80 H112 N16 O28 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1325","0.0365","","","0.0616","0.076","","","","","","0.846","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205086","10.5283","0.0008","13.4817","0.0012","20.5006","0.0018","90","","102.016","0.004","90","","2846.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Pr2 -","- C18 H6 N6 O19.5 Pr2 -","- C72 H24 N24 O78 Pr8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0316","0.0238","","","0.068","0.0801","","","","","","1.025","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205087","10.4836","0.0005","13.4043","0.0008","20.4238","0.0013","90","","102.163","0.003","90","","2805.6","0.3","296","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 Nd2 O19.5 -","- C18 H6 N6 Nd2 O19.5 -","- C72 H24 N24 Nd8 O78 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0493","0.0318","","","0.0802","0.0965","","","","","","1.084","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205088","10.4555","0.0019","13.333","0.003","20.372","0.003","90","","102.245","0.01","90","","2775.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Sm2 -","- C18 H6 N6 O19.5 Sm2 -","- C72 H24 N24 O78 Sm8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0637","0.0322","","","0.0778","0.1025","","","","","","1.067","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205089","10.4063","0.001","13.1997","0.0013","20.244","0.002","90","","102.695","0.005","90","","2712.7","0.5","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Eu2 N6 O19 -","- C18 H6 Eu2 N6 O19 -","- C72 H24 Eu8 N24 O76 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0295","0.0224","","","0.0546","0.0582","","","","","","0.977","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205090","11.8519","0.0002","19.6425","0.0003","14.9977","0.0003","90","","102.508","0.001","90","","3408.61","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Gd2 N6 O21 -","- C18 H6 Gd2 N6 O21 -","- C72 H24 Gd8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.052","0.0355","","","0.1147","0.1362","","","","","","1.024","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205091","11.8076","0.0006","19.602","0.001","14.9743","0.0007","90","","102.75","0.002","90","","3380.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N6 O21 Tb2 -","- C18 H6 N6 O21 Tb2 -","- C72 H24 N24 O84 Tb8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0486","0.0353","","","0.1156","0.1359","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205092","11.8365","0.0003","19.5914","0.0005","15.0554","0.0004","90","","102.632","0.001","90","","3406.74","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Dy2 N6 O21 -","- C18 H6 Dy2 N6 O21 -","- C72 H24 Dy8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0564","0.0352","","","0.1176","0.1377","","","","","","1.019","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205093","11.8162","0.0008","19.4943","0.0013","15.0763","0.001","90","","102.854","0.003","90","","3385.8","0.4","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","- C72 H24 Er8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0656","0.0433","","","0.1301","0.1451","","","","","","1.041","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205094","11.798","0.0007","19.4168","0.0012","14.8932","0.001","90","","103.041","0.003","90","","3323.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Lu2 N6 O21 -","- C18 H6 Lu2 N6 O21 -","- C72 H24 Lu8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0428","0.0336","","","0.1041","0.1229","","","","","","1.157","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205095","11.205","0.0004","19.53","0.0007","11.455","0.0004","90","","104.218","0.0007","90","","2429.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O9 Zn2 -","- C23 H16 N3 O9 Zn2 -","- C92 H64 N12 O36 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0461","0.0353","","","0.0774","0.0824","","","","","","1.052","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205096","12.3267","0.0005","15.0656","0.0006","14.5968","0.0006","90","","108.631","0.001","90","","2568.7","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O12 Zn2 -","- C22 H14 N3 O12 Zn2 -","- C88 H56 N12 O48 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.0559","0.0405","","","0.1121","0.1204","","","","","","1.053","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205097","14.839","0.0006","15.717","0.0006","22.081","0.0009","90","","90","","90","","5149.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H22 N3 O14 Zn2 -","- C22 H15 N3 O14 Zn2 -","- C176 H120 N24 O112 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0673","0.0354","","","0.0879","0.1037","","","","","","1.009","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205098","16.379","0.0005","16.361","0.0005","28.999","0.0009","90","","90","","90","","7771.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H43.5 N O13.25 Zn3 -","- C34 H43.5 N O13.25 Zn3 -","- C272 H348 N8 O106 Zn24 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0713","0.0329","","","0.0705","0.0748","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205099","19.5062","0.0004","12.373","0.0006","15.0076","0.0005","90","","113.717","0.001","90","","3316.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N3 O7 Zn2 -","- C16 H9 N3 O7 Zn2 -","- C128 H72 N24 O56 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.03","0.0254","","","0.0617","0.0625","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205100","7.5291","0.0006","9.0289","0.0007","11.2318","0.0009","106.417","0.001","104.611","0.001","100.197","0.001","682.88","0.09","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F N2 O3 -","- C14 H14 F N2 O3 -","- C28 H28 F2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","x-ray","0.71073","MoKα","","0.0645","0.0537","","","0.1313","0.1389","","","","","","1.062","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205101","15.829","0.004","7.2551","0.0012","24.285","0.004","90","","106.972","0.005","90","","2667.4","0.9","120","2","120","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O3 -","- C14 H15 F N2 O3 -","- C112 H120 F8 N16 O24 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0693","0.0571","","","0.1378","0.1427","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205102","12.0087","0.0007","7.3445","0.0004","29.8816","0.0015","90","","92.941","0.004","90","","2632","0.2","120","2","120","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F2 N4 O6 -","- C28 H30 F2 N4 O6 -","- C112 H120 F8 N16 O24 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1989","0.0568","","","0.0958","0.1186","","","","","","0.809","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205103","12.7632","0.0003","7.329","0.0002","29.7055","0.001","90","","93.705","0.002","90","","2772.89","0.14","120","2","120","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C112 H120 Cl8 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0489","0.0403","","","0.1002","0.1032","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205104","7.5081","0.0006","8.6307","0.0008","12.7259","0.0011","105.102","0.008","104.686","0.007","100.544","0.007","742.26","0.12","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C28 H30 Br2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1296","0.0615","","","0.1467","0.164","","","","","","0.872","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205105","12.7835","0.0006","7.3412","0.0003","29.5499","0.0014","90","","93.462","0.004","90","","2768.1","0.2","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1117","0.058","","","0.1323","0.1452","","","","","","0.951","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205106","15.7414","0.001","7.31","0.0004","26.3147","0.0014","90","","103.377","0.006","90","","2945.9","0.3","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0939","0.0504","","","0.1186","0.1277","","","","","","0.931","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205107","12.245","0.0004","7.4478","0.0002","16.1914","0.0005","90","","106.676","0.003","90","","1414.53","0.08","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.077","0.0452","","","0.1069","0.1133","","","","","","0.968","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205108","12.2806","0.001","7.4567","0.0006","17.2659","0.0014","90","","109.584","0.009","90","","1489.6","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0838","0.0525","","","0.1437","0.1563","","","","","","1.077","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205109","16.516","0.0013","17.6806","0.0013","17.3266","0.0014","90","","153.568","0.001","90","","2252.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N2 O6 -","- C22 H24 Cd N2 O6 -","- C88 H96 Cd4 N8 O24 -","4","1","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0705","0.0396","","","0.0818","0.0941","","","","","","1.016","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205110","11.578","0.004","11.488","0.004","9.342","0.003","90","","113.459","0.006","90","","1139.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H28 Co N2 O8 -","- C22 H28 Co N2 O8 -","- C44 H56 Co2 N4 O16 -","2","0.25","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0374","0.0322","","","0.0748","0.0779","","","","","","1.054","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205111","14.1443","0.001","10.5695","0.0007","13.5488","0.0009","90","","109.791","0.001","90","","1905.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 Ni O4 -","- C22 H20 N2 Ni O4 -","- C88 H80 N8 Ni4 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0356","0.0305","","","0.0798","0.083","","","","","","1.061","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205112","14.2254","0.0008","10.6516","0.0006","13.6134","0.0008","90","","110.37","0.001","90","","1933.75","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N2 O4 -","- C22 H20 Cu N2 O4 -","- C88 H80 Cu4 N8 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0314","0.0282","","","0.0811","0.0834","","","","","","1.066","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205113","15.4168","0.0007","15.4168","0.0007","27.623","0.002","90","","90","","90","","6565.4","0.6","173","2","173","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C42 H24 Co2 N2 O10 -","- C42 H24 Co2 N2 O10 -","- C168 H96 Co8 N8 O40 -","4","0.125","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0866","0.0686","","","0.2135","0.227","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205114","15.745","0.003","9.1922","0.0018","9.4397","0.0019","90","","90","","90","","1366.2","0.5","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co O8 -","- C16 H8 Co O8 -","- C64 H32 Co4 O32 -","4","0.5","","Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min","Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture","CrystEngComm","2011","13","1","44","","10.1039/c0ce00066c","","","0.71073","MoKα","","0.0565","0.0502","","","0.1226","0.1276","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205115","11.5613","0.0017","27.189","0.004","13.556","0.002","90","","102.803","0.002","90","","4155.3","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C144 H216 N24 O36 S12 -","12","3","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0652","","","0.1505","0.1631","","","","","","0.963","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205116","11.787","0.005","9.043","0.004","13.955","0.006","90","","104.644","0.007","90","","1439.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0714","","","0.1679","0.1783","","","","","","1.099","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205117","15.851","0.006","9.288","0.004","19.691","0.008","90","","90","","90","","2899","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.1165","0.0784","","","0.2086","0.2362","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205118","9.577","0.0009","11.5117","0.0011","12.398","0.0019","99.681","0.001","100.128","0.001","114.146","0.001","1183.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Ce Cu N2 O11 S2 -","- C22 H16 Ce Cu N2 O11 S2 -","- C44 H32 Ce2 Cu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0267","0.0237","","","0.0532","0.0551","","","","","","1.027","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205119","9.4926","0.0014","11.3728","0.0017","12.345","0.003","99.253","0.002","100.231","0.002","114.064","0.001","1156.5","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Dy N2 O11 S2 -","- C22 H16 Cu Dy N2 O11 S2 -","- C44 H32 Cu2 Dy2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0209","0.0196","","","0.0476","0.0482","","","","","","1.073","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205120","9.5144","0.0006","11.4162","0.0007","12.369","0.0012","99.415","0.001","100.2","0.001","114.01","0.001","1165.63","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Eu N2 O11 S2 -","- C22 H16 Cu Eu N2 O11 S2 -","- C44 H32 Cu2 Eu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0563","0.0577","","","","","","1.039","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205121","9.4878","0.001","11.3999","0.0012","12.373","0.002","99.388","0.001","100.155","0.001","113.963","0.001","1162","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Gd N2 O11 S2 -","- C22 H16 Cu Gd N2 O11 S2 -","- C44 H32 Cu2 Gd2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.024","0.0215","","","0.0481","0.0492","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205122","9.5121","0.0005","11.4333","0.0006","12.3811","0.001","99.46","0.001","100.168","0.001","114.012","0.001","1168.14","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Sm -","- C22 H16 Cu N2 O11 S2 Sm -","- C44 H32 Cu2 N4 O22 S4 Sm2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0266","0.024","","","0.0536","0.0552","","","","","","1.047","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205123","9.4951","0.0006","11.3913","0.0007","12.3599","0.0013","99.294","0.001","100.211","0.001","113.999","0.001","1160.67","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Tb -","- C22 H16 Cu N2 O11 S2 Tb -","- C44 H32 Cu2 N4 O22 S4 Tb2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0649","0.0659","","","","","","1.057","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205124","9.528","0.002","11.338","0.003","12.282","0.005","99.109","0.003","100.275","0.003","114.053","0.002","1152.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Er N2 O11 S2 -","- C22 H16 Cu Er N2 O11 S2 -","- C44 H32 Cu2 Er2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0217","0.0201","","","0.0479","0.0487","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205125","14.8496","0.001","14.8496","0.001","9.3759","0.0014","90","","90","","120","","1790.5","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","1","0.166667","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.0726","0.0473","","","0.1421","0.1834","","","","","","1.006","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205126","12.915","0.003","17.707","0.004","33.205","0.007","97.718","0.004","100.731","0.004","99.178","0.004","7259","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H131 Cl4 Co13 N14 O58.5 -","- C126 H131 Cl4 Co13 N14 O58.5 -","- C252 H262 Cl8 Co26 N28 O117 -","2","1","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.2192","0.0973","","","0.1951","0.2569","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205127","10.265","0.0006","20.1499","0.001","35.2161","0.0019","90","","92.726","0.005","90","","7275.8","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0755","0.0411","","","0.0972","0.1068","","","","","","1.012","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205128","10.2615","0.0005","20.1539","0.0008","35.1975","0.0014","90","","92.633","0.004","90","","7271.5","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0602","0.0409","","","0.1096","0.1186","","","","","","1.002","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205129","10.2854","0.0004","20.0124","0.001","35.3666","0.0015","90","","93.093","0.004","90","","7269.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H40 Cl Fe O13 S32 -","- C208 H160 Cl4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0501","0.0378","","","0.091","0.0959","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205130","10.3011","0.0005","20.028","0.001","35.249","0.002","90","","92.567","0.005","90","","7264.9","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 F Fe O13 S32 -","- C52 H40 F Fe O13 S32 -","- C208 H160 F4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0788","0.0438","","","0.1033","0.1116","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205131","10.2794","0.0006","20.019","0.001","35.255","0.002","90","","92.496","0.005","90","","7248","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C209.6 H160 F2.4 Fe4 N1.6 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0598","0.0431","","","0.1077","0.1139","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205132","10.2877","0.0007","20.1034","0.0015","35.198","0.003","90","","92.821","0.008","90","","7270.7","1","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.86 H39.86 Cl0.28 Fe N0.86 O13 S32 -","- C52.858 H39.8584 Cl0.2792 Fe N0.8604 O13 S32 -","- C211.432 H159.434 Cl1.1168 Fe4 N3.4416 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0704","0.0461","","","0.1214","0.1304","","","","","","1.035","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205133","10.4247","0.0007","19.6843","0.0017","36.096","0.003","90","","90","","90","","7407","1","293","2","293","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C52.88 H39.88 Cl0.24 Fe N0.88 O13 S32 -","- C52.878 H39.8776 Cl0.2448 Fe N0.8776 O13 S32 -","- C211.512 H159.51 Cl0.9792 Fe4 N3.5104 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.1355","0.0522","","","0.1034","0.1156","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205134","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205135","10.2589","0.0006","20.068","0.001","35.45","0.002","90","","93.174","0.005","90","","7287.1","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.17 H40 Br0.83 Fe N0.17 O13 S32 -","- C52.174 H40 Br0.826 Fe N0.174 O13 S32 -","- C208.696 H160 Br3.304 Fe4 N0.696 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0789","0.051","","","0.1317","0.1415","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205136","15.159","0.003","18.821","0.003","19.798","0.003","90","","92.382","0.003","90","","5643.6","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0609","0.0521","","","0.1383","0.1435","","","","","","1.064","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205137","9.526","0.0005","15.031","0.0008","22.02","0.0011","70.544","0.001","78.347","0.001","84.906","0.001","2910.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd3 N6 O19 -","- C60 H48 Cd3 N6 O19 -","- C120 H96 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0547","0.0419","","","0.1143","0.1211","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205138","20.838","0.0015","10.485","0.002","22.58","0.001","90","","102.968","0.001","90","","4807.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cd3 N4 O18 -","- C50 H38 Cd3 N4 O18 -","- C200 H152 Cd12 N16 O72 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0264","0.0234","","","0.0619","0.0635","","","","","","1.046","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205139","11.6201","0.0005","11.9085","0.0005","18.7329","0.0008","84.387","0.001","86.887","0.001","66.265","0.001","2361.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 Cd3 N4 O14 -","- C54 H30 Cd3 N4 O14 -","- C108 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.038","0.0305","","","0.0962","0.112","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205140","11.2","0.0009","11.5369","0.0009","18.3362","0.0014","88.221","0.001","81.475","0.001","70.83","0.001","2212.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd3 N4 O14 -","- C50 H30 Cd3 N4 O14 -","- C100 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.03","0.0246","","","0.0607","0.0629","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205141","14.0039","0.0005","28.8677","0.0011","13.6293","0.0005","90","","118.546","0.001","90","","4840","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H36 Cd3 N4 O17 -","- C54 H36 Cd3 N4 O17 -","- C216 H144 Cd12 N16 O68 -","4","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0462","0.0555","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205142","13.511","0.003","14.864","0.003","17.527","0.003","66.948","0.002","86.831","0.002","67.297","0.003","2968.8","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H47 Cd3 N6 O19 -","- C66 H47 Cd3 N6 O19 -","- C132 H94 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0626","0.0439","","","0.1175","0.1296","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205143","12.475","0.002","19.304","0.003","46.775","0.005","90","","94.83","0.03","90","","11224","3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 O10 -","- C54 H78 O10 -","- C432 H624 O80 -","8","2","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.085","0.085","","0.139","0.139","","","","0.952","0.952","0.952","","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205144","17.706","0.003","12.622","0.002","21.853","0.004","90","","91.43","0.02","90","","4882.3","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Cl3 N O10 -","- C47 H61 Cl3 N O10 -","- C188 H244 Cl12 N4 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.163","0.099","","0.274","0.154","0.154","","","0.96","0.935","0.935","0.935","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205145","16.868","0.003","12.789","0.003","20.295","0.004","90","","102.33","0.02","90","","4277.1","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 O10 -","- C44 H57 O10 -","- C176 H228 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.164","0.078","","0.168","0.103","0.103","","","0.86","0.953","0.953","0.953","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205146","7.4649","0.0016","11.9022","0.0018","14.8739","0.0011","95.276","0.002","91.966","0.002","107.856","0.003","1249.8","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.045","0.0362","","","0.0725","0.0759","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205147","7.4606","0.0012","11.9298","0.0018","14.8726","0.0009","95.338","0.002","91.95","0.001","107.916","0.001","1251.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0495","0.0386","","","0.0867","0.0929","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205148","6.0782","0.0012","7.4777","0.0015","14.9506","0.001","87.655","0.01","82.692","0.01","71.802","0.001","640.29","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.044","0.0411","","","0.1009","0.1029","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205149","6.1181","0.0017","7.498","0.001","15.0901","0.0014","87.224","0.002","82.128","0.002","71.99","0.001","652.1","0.2","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0605","0.0452","","","0.0945","0.1013","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205150","7.9639","0.0005","24.3259","0.0016","16.0648","0.001","90","","90.412","0.002","90","","3112.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N4 Ni2 O11 -","- C34 H22 N4 Ni2 O11 -","- C136 H88 N16 Ni8 O44 -","4","1","","Wang, Chih-Chieh; Liu, Fang-Chen; Chiu, Chih-Kai; Song, You; Wang, Shih-Chi; Wang, Yu; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Yang, En-Che","Synthesis, structural characterization and magnetic behavior of a 2D bi-layer MOF, {[Ni2(C5O5)2(bpe)2]·H2O}n (bpe = 1,2-bis(4-pyridyl)ethylene)","CrystEngComm","2011","13","1","118","","10.1039/c0ce00111b","","","0.71073","MoKα","","0.0942","0.0651","","","0.1223","0.1325","","","","","","1.116","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205151","17.725","0.0005","17.725","0.0005","63.211","0.003","90","","90","","120","","17198.7","1.1","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H66 Cu3 N6 O6 P3 S6 -","- C42 H66 Cu3 N6 O6 P3 S6 -","- C504 H792 Cu36 N72 O72 P36 S72 -","12","0.666667","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0653","0.0351","","","0.0808","0.0879","","","","","","0.856","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205152","10.4051","0.0008","12.919","0.0012","16.2445","0.0015","80.986","0.007","76.688","0.007","79.581","0.007","2074.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C84 H92 Cu2 Fe2 N4 O4 P6 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.1292","0.0999","","","0.2523","0.2705","","","","","","1.014","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205153","13.7676","0.0007","13.8533","0.0008","16.8992","0.0008","67.726","0.004","66.131","0.004","63.955","0.004","2567.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0755","0.0581","","","0.1652","0.1776","","","","","","0.828","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205154","26.9217","0.0006","26.9217","0.0006","10.281","0.0002","90","","90","","90","","7451.4","0.3","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C52 H84 Cu4 N12 O8 P4 S8 -","- C52 H84 Cu4 N12 O8 P4 S8 -","- C208 H336 Cu16 N48 O32 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0402","0.0293","","","0.0625","0.0661","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205155","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205156","42.4396","0.0007","14.2832","0.0003","21.6031","0.0005","90","","117.638","0.004","90","","11601","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N4 O12 S4 -","- C52 H64 Cl4 N4 O12 S4 -","- C416 H512 Cl32 N32 O96 S32 -","8","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0811","0.0691","","","0.1764","0.1832","","","","","","1.015","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205157","24.564","0.0007","20.052","0.0005","10.7714","0.0003","90","","93.394","0.002","90","","5296.2","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O12 S4 -","- C50 H60 N4 O12 S4 -","- C200 H240 N16 O48 S16 -","4","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1201","0.092","","","0.2161","0.2342","","","","","","1.102","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205158","14.9385","0.0005","25.0431","0.0008","15.9995","0.0005","90","","91.281","0.002","90","","5984","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H146 N16 O27 S8 -","- C104 H130 N16 O25 S8 -","- C208 H260 N32 O50 S16 -","2","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0821","0.06","","","0.1389","0.1494","","","","","","0.981","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205159","20.3779","0.0012","20.3779","0.0012","76.563","0.009","90","","90","","120","","27534","4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.84 H68.02 Cl1.34 N6 O13.17 S4 -","- C51 H62 N6 O12 S4 -","- C918 H1116 N108 O216 S72 -","18","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1431","0.0638","","","0.145","0.1634","","","","","","0.809","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205160","14.8193","0.001","25.0193","0.0018","16.0602","0.0011","90","","91.255","0.001","90","","5953.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H71 N8 O13.5 S4 -","- C55 H71 N8 O13.5 S4 -","- C220 H284 N32 O54 S16 -","4","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0891","0.0675","","","0.159","0.1722","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205161","9.7099","0.0019","17.216","0.003","19.642","0.004","72.85","0.03","86.38","0.03","88.62","0.03","3131.2","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 Cu4 I4 N9 -","- C62 H71 Cu4 I4 N9 -","- C124 H142 Cu8 I8 N18 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0921","0.0689","","","0.1383","0.1524","","","","","","1.077","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205162","14.0172","0.0018","16.221","0.002","18.554","0.002","89.714","0.002","69.778","0.002","72.194","0.002","3745","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H73 Br6 Hg3 N8 O S -","- C62 H73 Br6 Hg3 N8 O S -","- C124 H146 Br12 Hg6 N16 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0657","0.0412","","","0.1001","0.1063","","","","","","1.029","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205163","12.2129","0.0008","13.3117","0.0008","16.6923","0.001","71.161","0.001","75.701","0.001","62.988","0.001","2271.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hg3 I4 N6 -","- C38 H46 Hg3 I4 N6 -","- C76 H92 Hg6 I8 N12 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0481","0.0383","","","0.0978","0.1043","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205164","10.9505","0.0006","14.8255","0.0007","19.4605","0.0009","98.105","0.001","95.922","0.001","107.028","0.001","2955.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ag2 N6 -","- C60 H67 Ag4 N12 -","- C120 H134 Ag8 N24 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0823","0.0488","","","0.1413","0.1698","","","","","","1.02","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205165","10.097","0.002","13.533","0.003","15.409","0.003","104.053","0.003","97.686","0.003","94.555","0.004","2010.4","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Ag2 Br2 N6 O S -","- C40 H42 Ag2 Br2 N6 O S -","- C80 H84 Ag4 Br4 N12 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0525","0.0357","","","0.0962","0.1072","","","","","","1.032","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205166","9.3684","0.0014","13.897","0.002","14.595","0.002","103.651","0.002","102.976","0.002","104.986","0.002","1699.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Ag F6 N4 O0.5 P -","- C30 H34 Ag F6 N4 O0.5 P -","- C60 H68 Ag2 F12 N8 O P2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0543","0.0473","","","0.1486","0.1573","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205167","13.133","0.004","18.772","0.004","15.872","0.005","90","","104.706","0.005","90","","3784.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H43.88 Ag2 I0.1 N4 O1.88 -","- C34 H43.8828 Ag2 I0.1172 N4 O1.8828 -","- C136 H175.531 Ag8 I0.4688 N16 O7.5312 -","4","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.04","0.0352","","","0.1164","0.1192","","","","","","1.15","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205168","14.7807","0.0007","14.6784","0.0007","18.5397","0.0009","90","","111.032","0.001","90","","3754.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Br2 N7 -","- C40 H41 Br2 N7 -","- C160 H164 Br8 N28 -","4","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0675","0.0405","","","0.1205","0.1358","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205169","8.885","0.0011","10.6269","0.0013","13.0417","0.0016","78.793","0.002","80.799","0.002","66.276","0.002","1101.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","1","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0637","0.0559","","","0.1756","0.1845","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205170","10.84","0.01","14.535","0.013","18.079","0.016","90","","90","","90","","2849","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-Aib-Val","Tyr-Aib-Val","","- C24 H37 N3 O7 -","- C24 H37 N3 O7 -","- C96 H148 N12 O28 -","4","1","","Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish","Insights into self-assembling nanoporous peptide and in situ reducing agent","CrystEngComm","2011","13","3","973","","10.1039/c0ce00143k","","","0.71073","MoKα","","0.1266","0.0504","","","0.0828","0.0919","","","","","","0.92","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205171","19.129","0.003","19.129","0.003","6.764","0.0014","90","","90","","90","","2475.1","0.8","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cu O7 -","- C8 H10 Cu O7 -","- C64 H80 Cu8 O56 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0461","0.0399","","","0.1241","0.1294","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205172","19.146","0.003","19.146","0.003","6.7427","0.0013","90","","90","","90","","2471.7","0.7","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C10 H9 Cu O5 -","- C10 H9 Cu O5 -","- C80 H72 Cu8 O40 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0994","0.0893","","","0.2586","0.2704","","","","","","1.12","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205173","18.052","0.0004","13.836","0.0003","19.114","0.0004","90","","90","","90","","4774.06","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cu2 N O10 -","- C21 H10 Cu2 N O10 -","- C168 H80 Cu16 N8 O80 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.2341","0.1322","","","0.3095","0.3843","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205174","28.339","0.006","25.097","0.005","15.483","0.003","90","","90","","90","","11012","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C23 H27 Cu2 N2 O11 -","- C23 H9 Cu2 N2 O11 -","- C368 H144 Cu32 N32 O176 -","16","","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.1063","0.077","","","0.2313","0.2626","","","","","","1.076","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205175","17.781","0.004","28.331","0.006","10.766","0.002","90","","101.92","0.03","90","","5306","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H35 Cu4 N2 O22.5 -","- C36 H26 Cu4 N2 O22.48 -","- C144 H104 Cu16 N8 O89.92 -","4","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0682","0.0522","","","0.1645","0.179","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205176","13.3706","0.0003","22.8263","0.0004","21.5225","0.0005","90","","108.81","0.003","90","","6217.9","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C240 H280 Cl8 Cu12 N24 O88 Zn4 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 × 1 + 1 × 1] and tetranuclear [2 × 1 + 1 × 2] copper(ii)–d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0844","0.0387","","","0.0712","0.0766","","","","","","0.859","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205177","27.3303","0.0008","14.4792","0.0002","20.0508","0.0006","90","","124.977","0.004","90","","6501.4","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C248 H292 Cd4 Cl8 Cu12 N28 O88 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0286","0.0222","","","0.059","0.06","","","","","","1.054","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205178","12.8064","0.0005","19.7143","0.0008","20.4235","0.0009","90","","90","","90","","5156.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C184 H216 Cl8 Cu8 Hg8 N16 O72 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0245","0.0191","","","0.0466","0.0493","","","","","","1.066","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205179","14.3298","0.0006","13.3337","0.0006","22.393","0.001","90","","104.045","0.001","90","","4150.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Ag Cl Cu2 N4 O13 -","- C40 H46 Ag Cl Cu2 N4 O13 -","- C160 H184 Ag4 Cl4 Cu8 N16 O52 -","4","1","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 × 1 + 1 × 1] and tetranuclear [2 × 1 + 1 × 2] copper(ii)–d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0604","0.036","","","0.0718","0.0784","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205180","11.9829","0.0013","13.6251","0.0015","18.421","0.002","101.895","0.004","102.698","0.004","101.016","0.004","2781.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 N12 Ni3 O9 -","- C57 H42 Cl2 N12 Ni3 O9 -","- C114 H84 Cl4 N24 Ni6 O18 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0841","0.0515","","","0.1393","0.1686","","","","","","0.946","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205181","11.2011","0.0004","20.4224","0.0007","21.3284","0.0007","87.517","0.001","88.43","0.001","74.111","0.001","4687.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H78 N24 Ni6 O11 -","- C96 H72 N24 Ni6 O11 -","- C192 H144 N48 Ni12 O22 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.1192","0.0632","","","0.1495","0.188","","","","","","1.005","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205182","11.3122","0.0003","20.4198","0.0005","21.5152","0.0005","93.457","0.001","90.374","0.001","104.83","0.001","4794.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N26 Ni6 O15 -","- C96 H70 N26 Ni6 O15 -","- C192 H140 N52 Ni12 O30 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0677","0.0432","","","0.1211","0.1374","","","","","","1.003","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205183","8.1512","0.0007","15.0605","0.0013","14.8508","0.0012","90","","93.726","0.001","90","","1819.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0351","0.027","","","0.0676","0.0714","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205184","9.4664","0.001","14.5654","0.0015","15.1276","0.0016","90","","102.247","0.001","90","","2038.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0508","0.033","","","0.0724","0.0804","","","","","","1.014","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205185","9.6105","0.001","15.2014","0.0016","14.461","0.0015","90","","90.645","0.001","90","","2112.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 Zn -","- C21 H24 N4 O4 Zn -","- C84 H96 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0664","0.0434","","","0.1036","0.1156","","","","","","1.034","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205186","16.4763","0.0014","13.2934","0.0011","17.2155","0.0015","90","","90","","90","","3770.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.052","0.0336","","","0.076","0.0857","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205187","9.7754","0.001","10.1743","0.0011","11.46","0.0012","94.87","0.001","100.693","0.001","105.202","0.001","1070.03","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C42 H48 N8 O10 Zn2 -","2","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0366","0.03","","","0.0747","0.0791","","","","","","1.016","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205188","19.0114","0.0011","4.9005","0.0004","31.062","0.002","90","","103.635","0.005","90","","2812.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride","1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride","","- C24 H34 Cl2 N4 O7 -","- C24 H34 Cl2 N4 O7 -","- C96 H136 Cl8 N16 O28 -","4","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1039","0.0538","","","0.1211","0.1467","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205189","9.191","0.002","9.3575","0.0019","12.722","0.003","102.463","0.018","91.268","0.019","113.86","0.016","969.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate tetrahydrate","1,4-bis(2-[1-ethyl-pyridinium-4-yl]vinyl)benzene di-4-methylbenzenesulphonate tetrahydrate","","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","1","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1421","0.0653","","","0.1022","0.1227","","","","","","1.179","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205190","13.279","0.002","17.696","0.003","14.791","0.002","90","","101.907","0.004","90","","3400.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C38 H40 N2 O6 S2 -","- C38 H40 N2 O6 S2 -","- C152 H160 N8 O24 S8 -","4","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1158","0.0632","","","0.14","0.172","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205191","10.9786","0.0003","12.2743","0.0004","14.0937","0.0004","88.107","0.002","87.121","0.002","63.853","0.002","1702.56","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate - methanol (2:1)","","","- C37 H40 N2 O7 S2 -","- C37 H40 N2 O7 S2 -","- C74 H80 N4 O14 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1066","0.0615","","","0.1568","0.1757","","","","","","0.899","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205192","8.9032","0.0011","18.99","0.002","9.9994","0.0011","90","","92.093","0.005","90","","1689.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate dihydrate","","","- C36 H40 N2 O7 S2 -","- C36 H40 N2 O8 S2 -","- C72 H80 N4 O16 S4 -","2","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.0676","0.043","","","0.0958","0.1104","","","","","","0.979","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205193","10.806","0.002","12.627","0.003","13.592","0.003","90.359","0.009","93.936","0.008","114.693","0.007","1679.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C36 H36 N2 O6 S2 -","- C36 H36 N2 O6 S2 -","- C72 H72 N4 O12 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1411","0.0598","","","0.1415","0.1765","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205194","18.861","0.005","16.141","0.004","13.487","0.004","90","","90","","90","","4105.9","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H24 Cu N6 O10 S -","- C14 H24 Cu N6 O10 S -","- C112 H192 Cu8 N48 O80 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0986","0.0486","","","0.119","0.1405","","","","","","1.045","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205195","7.2549","0.0013","7.7629","0.0015","9.1054","0.0016","98.095","0.003","99.515","0.003","110.281","0.003","463.39","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","1","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0535","0.0477","","","0.1654","0.1729","","","","","","1.384","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205196","10.447","0.002","10.755","0.003","12.474","0.003","104.33","0.004","102.14","0.004","110.924","0.003","1197.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N6 O8 Zn -","- C19 H28 N6 O8 Zn -","- C38 H56 N12 O16 Zn2 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0722","0.0462","","","0.0941","0.1042","","","","","","1.015","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205197","31.51","0.007","8.534","0.002","18.891","0.004","90","","122.1","0.002","90","","4303.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cd Cl2 N14 O6 -","- C34 H46 Cd Cl2 N14 O6 -","- C136 H184 Cd4 Cl8 N56 O24 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0313","0.0269","","","0.0693","0.0721","","","","","","1.062","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205198","30.671","0.012","7.551","0.003","24.101","0.01","90","","122.271","0.004","90","","4720","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cd N6 O12 S -","- C14 H28 Cd N6 O12 S -","- C112 H224 Cd8 N48 O96 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0665","0.0396","","","0.0796","0.09","","","","","","1.017","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205199","6.5225","0.0004","10.6474","0.0006","23.2444","0.0014","90","","93.983","0.002","90","","1610.37","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","205596 (3631-97-01)","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0536","0.0447","","","0.1295","0.1367","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205200","8.1475","0.0007","11.2176","0.0009","14.8517","0.0013","75.956","0.002","84.712","0.002","73.34","0.002","1261.16","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3631-86-02 (205289)","","- C25 H28 N8 O7.2 -","- C25 H28 N8 O7.2 -","- C50 H56 N16 O14.4 -","2","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0687","0.0538","","","0.1427","0.1512","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205201","17.559","0.003","11.426","0.002","21.736","0.003","90","","114.588","0.011","90","","3965.4","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu2 N12 O9 -","- C36 H30 Cu2 N12 O9 -","- C144 H120 Cu8 N48 O36 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0966","0.0586","","","0.1319","0.1417","","","","","","1.034","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205202","13.607","0.002","17.518","0.003","9.3722","0.0016","90","","90","","90","","2234","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","0.5","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0496","0.0342","","","0.0685","0.0734","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205203","10.7532","0.0019","12.38","0.002","12.823","0.002","66.004","0.003","78.439","0.004","82.324","0.004","1525.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Co N6 O6 -","- C35 H29 Co N6 O6 -","- C70 H58 Co2 N12 O12 -","2","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.1089","0.0699","","","0.1603","0.1838","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205204","10.2262","0.0014","14.248","0.002","14.761","0.002","90","","102.849","0.002","90","","2096.9","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O6 Zn -","- C23 H18 N4 O6 Zn -","- C92 H72 N16 O24 Zn4 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0587","0.0493","","","0.1346","0.1391","","","","","","1.088","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205205","19.873","0.003","19.873","0.003","12.5477","0.0016","90","","90","","90","","4955.5","1.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H40 Cu2 N16 W -","- C48 H40 Cu2 N16 W -","- C192 H160 Cu8 N64 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.7107","MoKα","","0.0642","0.0583","","","0.0951","0.0968","","","","","","1.292","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205206","12.1408","0.0002","12.1408","0.0002","34.7802","0.0008","90","","90","","90","","5126.57","0.17","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H56 Co2 N16 O8 W -","- C32 H56 Co2 N16 O8 W -","- C128 H224 Co8 N64 O32 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.71073","MoKα","","0.0267","0.0224","","","0.0524","0.0536","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205207","12.9037","0.0011","6.1373","0.0005","18.3478","0.0016","90","","98.45","0.002","90","","1437.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O18 U3 -","- C20 H16 N6 O18 U3 -","- C40 H32 N12 O36 U6 -","2","0.5","","Knope, Karah E.; Cahill, Christopher L.","Uranyl triazolate formation via an in situ Huisgen 1,3-dipolar cycloaddition reaction","CrystEngComm","2011","13","1","153","","10.1039/c0ce00231c","","","0.71073","MoKα","","0.028","0.0215","","","0.0438","0.0458","","","","","","1.029","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205208","8.9604","0.0003","17.5585","0.0006","9.195","0.0003","90","","95.2519","0.0017","90","","1440.59","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 I N2 -","- C18 H11 I N2 -","- C72 H44 I4 N8 -","4","1","","Shishkin, Oleg V.; Dyakonenko, Viktorya V.; Maleev, Andrey V.; Schollmeyer, Dieter; Vysotsky, Myroslav O.","Columnar supramolecular architecture of crystals of 2-(4-Iodophenyl)-1,10-phenanthroline derived from values of intermolecular interaction energy","CrystEngComm","2011","13","3","800","","10.1039/c0ce00246a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0595","0.0606","","","","","","1.119","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205209","14.112","0.003","26.191","0.005","12.785","0.003","90","","112.92","0.03","90","","4352.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Mn2 N6 O16 -","- C41 H26 Mn2 N6 O16 -","- C164 H104 Mn8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1142","0.0885","","","0.2257","0.2456","","","","","","1.023","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205210","14.381","0.003","16.173","0.003","21.049","0.004","89.88","0.03","89.88","0.03","65.1","0.03","4440.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 Co4 N12 O37.25 -","- C82 H54 Co4 N12 O37.25 -","- C164 H108 Co8 N24 O74.5 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0964","0.0795","","","0.1918","0.2008","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205211","8.1758","0.0016","11.792","0.002","14.983","0.003","73.99","0.03","77.45","0.03","78.48","0.03","1340.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 Ni O10 -","- C27 H17.5 N4 Ni O10 -","- C54 H35 N8 Ni2 O20 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1471","0.0875","","","0.2007","0.241","","","","","","1.038","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205212","8.2329","0.0016","25.653","0.005","12.817","0.003","90","","101.72","0.03","90","","2650.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 N4 O8 Zn -","- C27 H20 N4 O8 Zn -","- C108 H80 N16 O32 Zn4 -","4","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0767","0.0799","","","","","","1.068","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205213","28.506","0.006","10.93","0.002","13.22","0.003","90","","104.18","0.03","90","","3993.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Cd2 N6 O16 -","- C41 H26 Cd2 N6 O16 -","- C164 H104 Cd8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0524","0.0318","","","0.0642","0.0702","","","","","","0.953","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205214","9.2625","0.0004","13.1795","0.0005","11.728","0.0005","90","","97.562","0.002","90","","1419.25","0.1","","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.028","0.0219","","","0.0411","0.0436","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205215","12.7462","0.0003","8.5095","0.0002","13.1712","0.0003","90","","105.339","0.001","90","","1377.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0446","0.0361","","","0.0874","0.0919","","","","","","1.063","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205216","6.1736","0.0002","9.15","0.0002","24.7578","0.0006","90","","92.857","0.001","90","","1396.79","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0442","0.03","","","0.0608","0.0655","","","","","","1.065","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205217","12.159","0.004","12.159","0.004","20.852","0.006","90","","90","","90","","3082.8","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H40 Mo6 N16 Ni2 O19 -","- C48 H40 Mo6 N16 Ni2 O19 -","- C96 H80 Mo12 N32 Ni4 O38 -","2","0.125","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1238","0.1067","","","0.275","0.297","","","","","","1.055","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205218","8.494","0.003","12.987","0.005","15.187","0.006","91.213","0.006","94.185","0.005","108.525","0.005","1582.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","1","0.5","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1764","0.1088","","","0.2709","0.3239","","","","","","1.067","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205219","8.356","0.0006","9.822","0.0007","9.904","0.0007","68.292","0.001","85.2","0.001","82.759","0.001","748.57","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","1","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0586","0.0448","","","0.0781","0.0826","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205220","19.013","0.0004","9.2","0.0005","18.482","0.0008","90","","97.268","0.001","90","","3206.9","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 V4 Zn2 -","- C20 H28 N8 O12 V4 Zn2 -","- C80 H112 N32 O48 V16 Zn8 -","4","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0337","0.0318","","","0.0719","0.0727","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205221","15.574","0.0005","5.617","0.0007","19.09","0.0015","90","","108.408","0.001","90","","1584.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 O6 V2 Zn -","- C10 H6 N4 O6 V2 Zn -","- C40 H24 N16 O24 V8 Zn4 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0394","0.0346","","","0.0881","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205222","20.7034","0.0004","7.5718","0.0002","30.7679","0.0009","90","","92.7486","0.0009","90","","4817.7","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O16 Zn -","- C17 H20 O16 Zn -","- C136 H160 O128 Zn8 -","8","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0904","0.0547","","","0.1423","0.1563","","","","","","0.978","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205223","10.8788","0.0002","30.1049","0.0006","8.5449","0.0002","90","","111.36","0.0014","90","","2606.27","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O15 Zn2 -","- C22 H23 N O15 Zn2 -","- C88 H92 N4 O60 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0787","0.0472","","","0.1215","0.1351","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205224","28.0246","0.0006","12.3747","0.0003","14.1946","0.0003","90","","109.489","0.0011","90","","4640.6","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Mn3 N2 O22 -","- C40 H24 Mn3 N2 O22 -","- C160 H96 Mn12 N8 O88 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0981","0.054","","","0.1342","0.1482","","","","","","0.941","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205225","10.2067","0.0004","11.1297","0.0006","13.9251","0.0005","112.663","0.003","104.574","0.003","94.796","0.0017","1383.57","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 Co2 O12 -","- C17 H8 Co2 O12 -","- C34 H16 Co4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.082","0.0486","","","0.1101","0.1162","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205226","8.5594","0.0001","9.7574","0.0002","11.5046","0.0002","67.7013","0.0009","81.9196","0.0008","71.414","0.0011","842.41","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Ag2 O11 -","- C17 H12 Ag2 O11 -","- C34 H24 Ag4 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0418","0.0312","","","0.0786","0.085","","","","","","1.022","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205227","13.8667","0.0004","14.8068","0.0004","14.605","0.0004","90","","114.175","0.0012","90","","2735.72","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd O10 -","- C18 H12 Cd O10 -","- C72 H48 Cd4 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0369","0.0337","","","0.0953","0.0974","","","","","","1.091","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205228","11.1099","0.0001","13.8909","0.0001","22.485","0.0004","90","","90","","90","","3470.03","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O14 Zn2 -","- C30 H38 N4 O14 Zn2 -","- C120 H152 N16 O56 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0555","0.0383","","","0.0819","0.0878","","","","","","0.982","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205229","10.0777","0.0002","11.0012","0.0002","15.0573","0.0003","72.949","0.0012","77.0468","0.0011","81.3705","0.001","1548.98","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni2 O12 -","- C18 H12 Ni2 O12 -","- C36 H24 Ni4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0553","0.0379","","","0.096","0.1009","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205230","15.4803","0.0002","17.8109","0.0002","13.2541","0.0002","90","","104.711","0.0006","90","","3534.6","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag4 O22 -","- C36 H28 Ag4 O22 -","- C144 H112 Ag16 O88 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0583","0.0388","","","0.0894","0.0985","","","","","","1.003","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205231","16.437","0.0002","14.699","0.0002","17.5061","0.0002","90","","109.379","0.001","90","","3989.97","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O13 S Zn2 -","- C39 H34 N4 O13 S Zn2 -","- C156 H136 N16 O52 S4 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0882","0.0493","","","0.1277","0.1417","","","","","","0.943","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205232","7.7679","0.0002","10.6578","0.0004","12.8283","0.0003","78.834","0.002","73.855","0.002","80.3001","0.0012","993.41","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Ag2 N O10 -","- C22 H14 Ag2 N O10 -","- C44 H28 Ag4 N2 O20 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0537","0.0377","","","0.0884","0.0974","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205233","20.2908","0.0013","9.9513","0.0006","14.572","0.0009","90","","116.45","0.003","90","","2634.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co N2 O10 -","- C28 H20 Co N2 O10 -","- C112 H80 Co4 N8 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0752","0.0532","","","0.1042","0.1119","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205234","13.5405","0.0003","21.5306","0.0005","13.5016","0.0003","90","","105.778","0.0013","90","","3787.89","0.15","110","2","110","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H26 Co2 N2 O12 -","- C30 H26 Co2 N2 O12 -","- C120 H104 Co8 N8 O48 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0602","0.0468","","","0.1139","0.1181","","","","","","1.044","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205235","5.09","","3.6663","","18.0741","","90","","90","","90","","337.289","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1H-5aminotetrazole","1H-5aminotetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.0736","","","","","","","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205236","4.9624","","3.2575","","17.5375","","90","","90","","90","","283.494","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.017","","","","","","","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205237","4.8628","","3.0809","","17.2703","","90","","90","","90","","258.74","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.006","","","","","","","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205238","13.1695","0.0011","17.148","0.0011","14.6239","0.0016","90","","107.916","0.001","90","","3142.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cu2 N0 O25 -","- C16 H40 Cu2 O25 -","- C64 H160 Cu8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0502","0.0431","","","0.1202","0.1241","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205239","14.223","0.002","19.095","0.003","15.143","0.002","90","","113.099","0.002","90","","3782.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 Ni2 O16 -","- C36 H36 N4 Ni2 O16 -","- C144 H144 N16 Ni8 O64 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1141","0.0494","","","0.0882","0.1014","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205240","13.1584","0.0005","17.1511","0.0005","14.6293","0.0005","90","","107.968","0.004","90","","3140.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Ni2 O25 -","- C16 H20 Ni2 O25 -","- C64 H80 Ni8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0577","0.0351","","","0.0751","0.0781","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205241","9.879","0.004","11.397","0.004","21.932","0.008","90","","93.03","0.005","90","","2465.9","1.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Co N2 O11 -","- C26 H20 Co N2 O11 -","- C104 H80 Co4 N8 O44 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0738","0.052","","","0.1058","0.1166","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205242","14.264","","19.306","","15.435","","90","","113.44","","90","","3899.74","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O17 Zn2 -","- C36 H36 N4 O17 Zn2 -","- C144 H144 N16 O68 Zn8 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1214","0.0531","","","0.1084","0.1314","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205243","13.4203","0.0003","7.9925","0.0001","21.9329","0.0004","90","","98.726","0.001","90","","2325.33","0.07","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46 H47 N4 Ni2 O9 S4 -","- C46 H47 N4 Ni2 O9 S4 -","- C92 H94 N8 Ni4 O18 S8 -","2","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0515","","","0.1428","0.1508","","","","","","1.055","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205244","17.0825","0.0002","11.5048","0.0001","9.5315","0.0001","90","","92.629","0.001","90","","1871.26","0.03","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N2 O4 S2 -","- C20 H16 Co N2 O4 S2 -","- C80 H64 Co4 N8 O16 S8 -","4","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0254","","","0.0674","0.0698","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205245","9.785","0.002","8.0179","0.0016","19.629","0.004","90","","93.61","0.03","90","","1536.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Ag2 Cl2 N14 O8 -","- C26 H22 Ag2 Cl2 N14 O8 -","- C52 H44 Ag4 Cl4 N28 O16 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0667","0.0339","","","0.0671","0.0758","","","","","","0.964","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205246","9.6693","0.001","10.2699","0.0011","11.6983","0.0013","79.178","0.002","72.441","0.002","64.003","0.002","993.39","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","1","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0734","0.0639","","","0.1462","0.1509","","","","","","1.168","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205247","9.7471","0.0002","22.0918","0.0004","9.0346","0.0002","90","","113.243","0.0009","90","","1787.53","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F6 N14 O6 S2 -","- C28 H22 Ag2 F6 N14 O6 S2 -","- C56 H44 Ag4 F12 N28 O12 S4 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0409","0.0322","","","0.0847","0.0886","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205248","14.1853","0.0003","12.2037","0.0002","26.1827","0.0005","90","","104.167","0.0009","90","","4394.72","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Ag2 F12 N12 O5 P2 -","- C28 H46 Ag2 F12 N12 O5 P2 -","- C112 H184 Ag8 F48 N48 O20 P8 -","4","1","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.1009","0.0473","","","0.1128","0.1334","","","","","","1.032","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205249","8.5909","0.0008","27.272","0.002","10.5706","0.0009","90","","105.897","0.005","90","","2381.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Mn N5 O8 -","- C24 H15 Mn N5 O8 -","- C96 H60 Mn4 N20 O32 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0551","0.0458","","","0.1073","0.1152","","","","","","1.099","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205250","16.913","0.008","9.364","0.004","28.085","0.013","90","","101.681","0.009","90","","4356","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Mn2 N8 O21 -","- C38 H22 Mn2 N8 O21 -","- C152 H88 Mn8 N32 O84 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1067","0.0876","","","0.2292","0.2446","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205251","24.82","0.002","13.4888","0.0009","7.3141","0.0005","90","","90","","90","","2448.7","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H18 Mn N5 O9.5 -","- C24 H15 Mn N5 O9.5 -","- C96 H60 Mn4 N20 O38 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0627","0.0489","","","0.1071","0.1147","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205252","33.857","0.013","9.373","0.003","29.727","0.011","90","","112.2","0.007","90","","8734","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H56 Mn4 N18 O34 -","- C86 H52 Mn4 N18 O34 -","- C344 H208 Mn16 N72 O136 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1072","0.0679","","","0.1696","0.1959","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205253","9.207","0.001","24.232","0.003","17.811","0.002","90","","114.068","0.005","90","","3628.2","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 O12 -","- C36 H30 N6 O12 -","- C144 H120 N24 O48 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1042","0.0577","","","0.1465","0.167","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205254","9.133","0.003","19.628","0.006","22.662","0.006","90","","107.77","0.01","90","","3869","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N9 O6 -","- C42 H39 N9 O6 -","- C168 H156 N36 O24 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1482","0.0711","","","0.1649","0.1905","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205255","9.5891","0.0005","16.8764","0.0008","8.6411","0.0004","90","","108.031","0.004","90","","1329.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N4 O4 -","- C12 H12 Cd N4 O4 -","- C48 H48 Cd4 N16 O16 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0244","0.0212","","","0.056","0.0574","","","","","","1.049","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205256","10.6762","0.0003","14.9236","0.0005","10.2986","0.0003","90","","95.463","0.002","90","","1633.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cd N4 O6 -","- C11 H22 Cd N4 O6 -","- C44 H88 Cd4 N16 O24 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0264","0.0235","","","0.0608","0.0622","","","","","","1.026","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205257","6.5073","0.0005","9.4505","0.0008","9.567","0.0009","65.998","0.007","85.229","0.007","72.619","0.007","512.43","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","1","0.5","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0222","0.0213","","","0.0528","0.0533","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205258","12.026","0.002","14.039","0.003","24.77","0.005","90","","90.44","0.03","90","","4181.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I9 N3 Pb3 -","- C21 H27 I9 N3 Pb3 -","- C84 H108 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1164","0.0785","","","0.1435","0.1622","","","","","","1.097","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205259","12.328","0.003","14.341","0.003","24.982","0.005","90","","90.24","0.03","90","","4416.7","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 I9 N3 Pb3 -","- C24 H33 I9 N3 Pb3 -","- C96 H132 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1013","0.0722","","","0.1244","0.1369","","","","","","1.109","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205260","16.182","0.003","21.323","0.004","17.966","0.004","90","","103.44","0.03","90","","6029","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 I12 N4 Pb4 -","- C32 H44 I12 N4 Pb4 -","- C128 H176 I48 N16 Pb16 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1803","0.0986","","","0.1842","0.2363","","","","","","1.062","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205261","16.743","0.003","14.793","0.003","28.814","0.006","90","","94.97","0.03","90","","7110","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 I12 N11 Pb4 -","- C38 H45 I12 N11 Pb4 -","- C152 H180 I48 N44 Pb16 -","4","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1252","0.0725","","","0.1437","0.172","","","","","","1.045","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205262","7.861","0.0011","12.7769","0.0019","16.133","0.002","90","","97.655","0.004","90","","1605.9","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I3 N2 Pb -","- C9 H11 I3 N2 Pb -","- C36 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0948","0.065","","","0.2498","0.2694","","","","","","1.153","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205263","19.208","0.003","19.208","0.003","7.8129","0.0016","90","","90","","120","","2496.4","0.8","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H33 I9 N6 Pb3 -","- C27 H33 I9 N6 Pb3 -","- C54 H66 I18 N12 Pb6 -","2","0.333333","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0635","0.0403","","","0.064","0.0721","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205264","8.0356","0.0016","14.126","0.003","16.065","0.003","90","","93.41","0.03","90","","1820.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I3 N2 Pb -","- C13 H11 I3 N2 Pb -","- C52 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0724","0.0528","","","0.11","0.1188","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205265","7.7261","0.0015","21.194","0.004","19.674","0.004","90","","94.01","0.03","90","","3213.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 I12 N8 Pb4 -","- C40 H32 I12 N8 Pb4 -","- C80 H64 I24 N16 Pb8 -","2","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0804","0.0372","","","0.0597","0.0695","","","","","","0.815","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205266","18.894","0.0002","9.387","0.0001","36.767","0.0004","90","","101.624","0.001","90","","6387.18","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N8 O6 Zn1.5 -","- C32 H29 N8 O6 Zn1.5 -","- C256 H232 N64 O48 Zn12 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0407","0.0306","","","0.0706","0.0762","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205267","13.965","0.0005","10.813","0.0004","24.206","0.0008","90","","98.454","0.002","90","","3615.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 N4 O4.5 Zn -","- C17.5 H16.5 N4 O4.5 Zn -","- C140 H132 N32 O36 Zn8 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0719","0.0483","","","0.1093","0.1217","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205268","20.099","0.0006","9.143","0.0004","17.549","0.0007","90","","115.116","0.002","90","","2920","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N8 O5 Zn -","- C30 H26 N8 O5 Zn -","- C120 H104 N32 O20 Zn4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0904","0.0582","","","0.1443","0.1696","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205269","5.275","0.0001","21.507","0.0003","12.253","0.0002","90","","101.063","0.001","90","","1364.26","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl2 N4 Zn -","- C13 H10 Cl2 N4 Zn -","- C52 H40 Cl8 N16 Zn4 -","4","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0317","0.0263","","","0.0628","0.0658","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205270","7.423","0.0002","8.846","0.0003","14.056","0.0005","90.48","0.001","104.689","0.001","101.917","0.002","871.76","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N5 O6 Zn0.5 -","- C15 H20 N5 O6 Zn0.5 -","- C30 H40 N10 O12 Zn -","2","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0606","0.0389","","","0.0846","0.091","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205271","10.7882","0.0013","12.3072","0.0012","14.2893","0.0014","83.183","0.007","69.59","0.007","65.174","0.008","1612.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 N6 O10 S Zn2.5 -","- C23 H19 N6 O10 S Zn2.5 -","- C46 H38 N12 O20 S2 Zn5 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.0957","0.0789","","","0.2159","0.2274","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205272","17.4744","0.0013","9.8931","0.0008","25.4804","0.0014","90","","131.238","0.003","90","","3312.4","0.4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 Cd11 N8 O1.5 S8.25 Zn -","- C28 H19 Cd N8 O11 S Zn0.5 -","- C112 H76 Cd4 N32 O44 S4 Zn2 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.1193","0.1023","","","0.2532","0.2613","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205273","25.0558","0.0007","6.88418","0.00018","11.5251","0.0003","90","","108.977","0.003","90","","1879.9","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7.5 Cd2.25 O8 S0.5 -","- C4 H7.5 Cd2.25 O8 S0.5 -","- C32 H60 Cd18 O64 S4 -","8","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0266","0.0237","","","0.0564","0.0574","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205274","17.181","0.003","9.5978","0.0011","24.677","0.003","90","","130.288","0.009","90","","3104","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 N8 O11 S Zn1.5 -","- C28 H19 N8 O11 S Zn1.5 -","- C112 H76 N32 O44 S4 Zn6 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.129","0.0762","","","0.1777","0.195","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205275","8.7544","0.0007","10.1037","0.0007","10.4206","0.0006","72.928","0.005","79.968","0.005","69.699","0.007","823.68","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu3 O13 S -","- C10 H11 Cu3 O13 S -","- C20 H22 Cu6 O26 S2 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0265","0.0227","","","0.0624","0.0632","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205276","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205277","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205278","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205279","11.9923","0.0005","12.575","0.0006","18.074","0.0008","90","","103.045","0.002","90","","2655.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl N4 O13 -","- C24 H25 Cl N4 O13 -","- C96 H100 Cl4 N16 O52 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C–H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.165","0.046","","","0.0848","0.0969","","","","","","0.999","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205280","6.834","0.0009","12.5542","0.0011","16.8656","0.0018","99.533","0.005","94.301","0.006","99.636","0.007","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 N4 O11 -","- C26 H25 F3 N4 O11 -","- C52 H50 F6 N8 O22 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.17","0.0688","","","0.0946","0.1081","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205281","15.4544","0.0009","17.932","0.0009","18.607","0.001","116.352","0.003","94.269","0.005","106.342","0.003","4313.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 F6 N8 O20 Si -","- C48 H50 F6 N8 O20 Si -","- C144 H150 F18 N24 O60 Si3 -","3","1.5","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1594","0.0935","","","0.2127","0.244","","","","","","1.161","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205282","4.871","0.002","6.398","0.001","28.42","0.006","90","","96.57","0.02","90","","879.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-(p-phenylenedimethylidyne)bis(2,3,4,5,6- pentafluoroaniline)","N,N'-(p-phenylenedimethylidyne)bis[2,3,4,5,6-pentafluoroaniline]","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0591","0.0331","","","0.0836","0.0963","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205283","6.223","0.002","5.907","0.001","24.427","0.008","90","","103.8","0.03","90","","872","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.1477","0.0562","","","0.1361","0.1738","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205284","5.846","0.002","7.929","0.002","10.331","0.003","109.78","0.02","102.35","0.03","96.13","0.03","431.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4- phenylenediamine","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4-phenylenediamine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","1","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0701","0.0562","","","0.1554","0.1696","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205285","20.249","0.004","21.122","0.004","22.153","0.004","90","","90","","90","","9475","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H51 Bi Cu2 N10 O63 W18 -","- C50 H38 Bi Cu2 N10 O63 W18 -","- C200 H152 Bi4 Cu8 N40 O252 W72 -","4","0.5","","Wang, Bin; Hou, Guang-Feng; Meng, Rui-Qi; Bi, Li-Hua; Li, Bao; Wu, Li-Xin","A novel NbO-type framework constructed from Dawson-like tungstobismuthate and copper complex fragments","CrystEngComm","2011","13","5","1360","","10.1039/c0ce00327a","","","0.71073","MoKα","","0.0683","0.0557","","","0.1073","0.1114","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205286","9.6342","0.0014","12.1379","0.0017","13.3493","0.0019","90","","104.034","0.002","90","","1514.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N2 O6 -","- C17 H10 Cu N2 O6 -","- C68 H40 Cu4 N8 O24 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0901","0.0494","","","0.131","0.1538","","","","","","0.873","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205287","8.872","0.003","14.004","0.005","15.346","0.005","71.07","0.006","73.666","0.007","76.13","0.007","1707.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N4 O15 Zn2 -","- C34 H20 N4 O15 Zn2 -","- C68 H40 N8 O30 Zn4 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0986","0.0627","","","0.1415","0.1635","","","","","","1.148","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205288","8.5318","0.0014","10.7273","0.0017","11.1772","0.0018","71.72","0.003","73.501","0.003","70.674","0.002","897.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 Zn -","- C19 H14 N2 O8 Zn -","- C38 H28 N4 O16 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0795","0.0466","","","0.1057","0.123","","","","","","1.014","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205289","7.6821","0.0008","9.8561","0.001","13.5031","0.0014","84.562","0.002","80.973","0.002","76.465","0.002","979.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O10 Zn -","- C19 H16 N2 O10 Zn -","- C38 H32 N4 O20 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0655","0.0448","","","0.1165","0.1398","","","","","","1.084","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205290","10.9267","0.0015","23.869","0.004","8.9977","0.0013","90","","113.911","0.003","90","","2145.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Ni O11 -","- C19 H10 N2 Ni O11 -","- C76 H40 N8 Ni4 O44 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.142","0.0829","","","0.2139","0.2581","","","","","","1.046","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205291","12.634","0.002","12.944","0.002","19.357","0.003","90","","102.815","0.003","90","","3086.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28.6 N4 O11.3 Zn -","- C31 H28.6 N4 O11.3 Zn -","- C124 H114.4 N16 O45.2 Zn4 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.1651","0.0726","","","0.1822","0.2276","","","","","","0.991","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7205292","13.8255","0.0008","6.7309","0.0004","23.8617","0.0015","90","","99.269","0.001","90","","2191.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 Ni2 O18 U -","- C40 H48 N6 Ni2 O18 U -","- C80 H96 N12 Ni4 O36 U2 -","2","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 × 2 + 1 × 1] and [1 × 1 + 1 × 1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0413","0.0285","","","0.0621","0.0663","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205293","9.3676","0.0003","11.8493","0.0004","11.8723","0.0003","70.658","0.003","88.787","0.002","78.815","0.003","1218.5","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.02","0.0189","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205294","9.5289","0.0003","11.6487","0.0004","11.8174","0.0004","70.475","0.003","88.426","0.002","77.801","0.003","1207.05","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 × 2 + 1 × 1] and [1 × 1 + 1 × 1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0243","0.0216","","","0.0477","0.0481","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205295","17.1119","0.0004","14.9193","0.0002","13.1779","0.0003","90","","118.496","0.003","90","","2956.7","0.13","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu N4 O14 U -","- C24 H32 Cu N4 O14 U -","- C96 H128 Cu4 N16 O56 U4 -","4","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0277","0.0193","","","0.0405","0.0414","","","","","","0.911","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205296","6.1645","0.0012","10.074","0.002","13.503","0.003","68.951","0.002","80.872","0.002","76.667","0.002","758.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.036","0.0338","","","0.0887","0.0902","","","","","","1.036","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205297","6.1139","0.0012","9.983","0.0019","13.413","0.003","68.931","0.002","80.96","0.002","76.689","0.002","740.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0464","0.0374","","","0.0839","0.0867","","","","","","0.987","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205298","6.1009","0.0008","9.9758","0.0016","13.3825","0.0018","68.871","0.001","81.033","0.002","76.75","0.002","737.09","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0376","0.032","","","0.072","0.0742","","","","","","1.081","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205299","6.0922","0.0005","9.9633","0.0009","13.3598","0.0012","68.853","0.001","81.104","0.001","76.848","0.001","734.12","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0221","0.0209","","","0.0526","0.0533","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205300","6.078","0.003","9.95","0.005","13.337","0.007","68.823","0.006","81.142","0.007","76.813","0.007","730","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0798","0.0651","","","0.156","0.1651","","","","","","0.98","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205301","6.0535","0.0006","9.9159","0.0009","13.2903","0.0012","68.832","0.001","81.273","0.001","76.875","0.001","722.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0367","0.0329","","","0.0718","0.073","","","","","","0.973","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205302","5.995","0.0005","19.0242","0.0016","12.1311","0.0008","90","","119.201","0.003","90","","1207.72","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Eu N3 O9 -","- C9 H9 Eu N3 O9 -","- C36 H36 Eu4 N12 O36 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0235","0.0208","","","0.0495","0.0506","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205303","6.002","0.002","19.161","0.007","12.255","0.004","90","","118.793","0.013","90","","1235.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Pr -","- C9 H9 N3 O9 Pr -","- C36 H36 N12 O36 Pr4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0528","0.0468","","","0.1113","0.114","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205304","6.0008","0.0004","19.0754","0.0014","12.1796","0.0007","90","","119.05","0.003","90","","1218.78","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Sm -","- C9 H9 N3 O9 Sm -","- C36 H36 N12 O36 Sm4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0299","0.0275","","","0.0673","0.0685","","","","","","1.018","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205305","5.9955","0.0014","18.987","0.004","12.101","0.003","90","","119.371","0.009","90","","1200.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Tb -","- C9 H9 N3 O9 Tb -","- C36 H36 N12 O36 Tb4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0324","0.0281","","","0.0641","0.066","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205306","13.191","0.0008","10.3449","0.0005","7.4635","0.0004","90","","102.23","0.006","90","","995.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(nicotinic acid hydrazide)2","(adipic acid).(nicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0618","0.0502","","","0.1285","0.1317","","","","","","1.21","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205307","5.088","0.0002","38.997","0.0016","6.347","0.0002","90","","94.128","0.004","90","","1256.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0756","0.0664","","","0.1253","0.1278","","","","","","1.19","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205308","8.083","0.0004","26.586","0.001","8.097","0.0004","90","","104.449","0.004","90","","1684.97","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(succinic acid).(nicotinic acid hydrazide)2","(succinic acid).(nicotinic acid hydrazide)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C64 H80 N24 O24 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0489","0.0359","","","0.0904","0.0946","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205309","5.0707","0.0001","44.5556","0.0008","6.3992","0.0001","90","","94.587","0.002","90","","1441.13","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0834","0.0806","","","0.1912","0.1933","","","","","","0.995","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205310","12.876","0.003","13.256","0.003","14.198","0.003","66.67","0.03","67.42","0.03","75.36","0.03","2040.1","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","1","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1142","0.0695","","","0.1549","0.1778","","","","","","1.065","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205311","11.366","0.002","11.188","0.002","19.927","0.004","90","","90","","90","","2534","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cl2 Cu2 N4 O -","- C26 H21 Cl2 Cu2 N4 O -","- C104 H84 Cl8 Cu8 N16 O4 -","4","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1092","0.0671","","","0.1763","0.2062","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205312","14.5138","0.0011","17.2793","0.0013","25.1262","0.0016","90","","107.933","0.004","90","","5995.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Ag4 N12 O9 -","- C59 H52 Ag4 N12 O9 -","- C236 H208 Ag16 N48 O36 -","4","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0944","0.0508","","","0.0818","0.0879","","","","","","1.05","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205313","13.85","0.0012","15.0646","0.0013","21.0658","0.0018","90","","90","","90","","4395.3","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H80 Ag4 N16 O18 -","- C90 H80 Ag4 N16 O18 -","- C180 H160 Ag8 N32 O36 -","2","0.25","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.1074","0.0631","","","0.1335","0.1437","","","","","","1.02","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205314","12.561","0.002","13.1448","0.0012","18.7697","0.0018","84.391","0.002","83.666","0.001","76.304","0.003","2984.4","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H43 Ag8 N8 O16 -","- C62 H43 Ag8 N8 O16 -","- C124 H86 Ag16 N16 O32 -","2","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0871","0.0582","","","0.1224","0.1287","","","","","","1.062","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205315","7.2871","0.0015","7.9395","0.0016","8.5516","0.0017","117.58","0.03","95.8","0.03","93.48","0.03","433","0.2","118","2","118","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-nitrobenzoic acid hydrate","2-chloro-4-nitrobenzoic acid hydrate","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0292","0.0287","","","0.0736","0.0741","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205316","6.918","0.003","8.368","0.003","9.714","0.003","106.777","0.002","93.774","0.004","108.433","0.005","503.1","0.3","136","2","136","2","","","","","","","","5","P -1","-P 1","2","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H8 Cl N O5 -","- C9 H8 Cl N O5 -","- C18 H16 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0523","0.0483","","","0.1188","0.1221","","","","","","1.142","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205317","5.497","0.003","10.408","0.004","10.594","0.004","74.095","0.015","81.029","0.012","85.487","0.016","575.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","DMSO solvate of 2-chloro-4-nitrobenzoic acid","DMSO solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H10 Cl N O5 S -","- C9 H10 Cl N O5 S -","- C18 H20 Cl2 N2 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0502","0.0485","","","0.1256","0.1269","","","","","","1.214","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205318","5.8156","0.0012","10.387","0.002","12.207","0.002","83.67","0.03","77.63","0.03","81.03","0.03","709.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C30 H24 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0432","0.04","","","0.1076","0.1171","","","","","","1.15","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205319","10.79","0.002","11.767","0.002","8.9666","0.0018","90","","90.71","0.03","90","","1138.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","","- C22 H18 Cl2 N2 O8 -","- C22 H18 Cl2 N2 O8 -","- C44 H36 Cl4 N4 O16 -","2","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0749","0.0669","","","0.174","0.1861","","","","","","1.196","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205320","23.088","0.005","12.018","0.002","8.9206","0.0018","90","","110.29","0.03","90","","2321.6","0.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","","- C23 H20 Cl2 N2 O8 -","- C23 H20 Cl2 N2 O8 -","- C92 H80 Cl8 N8 O32 -","4","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0594","0.052","","","0.1381","0.1511","","","","","","1.183","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205321","8.3337","0.0003","14.6878","0.0004","18.7462","0.0005","90","","90","","90","","2294.6","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H29 Cs O11 -","- C20 H29 Cs O11 -","- C80 H116 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0744","0.0328","","","0.0426","0.0472","","","","","","0.698","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205322","8.2066","0.0002","15.3598","0.0004","18.9926","0.0004","90","","90","","90","","2394.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O10 -","- C21 H31 Cs O10 -","- C84 H124 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0518","0.0361","","","0.0515","0.0538","","","","","","0.87","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205323","8.2041","0.0002","15.3854","0.0004","19.3495","0.0006","90","","90","","90","","2442.36","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Br Cs O10 -","- C20 H28 Br Cs O10 -","- C80 H112 Br4 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0633","0.0479","","","0.1189","0.1238","","","","","","1.028","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205324","8.1436","0.0002","14.9847","0.0002","20.1066","0.0004","90","","90","","90","","2453.6","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O11 -","- C21 H31 Cs O11 -","- C84 H124 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0337","0.027","","","0.0517","0.0529","","","","","","0.975","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205325","8.1755","0.0002","15.5119","0.0003","19.1951","0.0003","90","","90","","90","","2434.28","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Cs N O12 -","- C20 H28 Cs N O12 -","- C80 H112 Cs4 N4 O48 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0392","0.0295","","","0.041","0.0422","","","","","","0.895","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205326","12.4406","0.0003","16.237","0.0005","14.1394","0.0004","90","","98.318","0.002","90","","2826.09","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CROWN ETHER COMPLEX","","","- C24 H37 Cs O10 -","- C24 H37 Cs O10 -","- C96 H148 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0684","0.0407","","","0.0901","0.0955","","","","","","0.939","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205327","7.8327","0.0016","19.556","0.004","12.624","0.003","90","","97.82","0.03","90","","1915.7","0.7","164","2","164","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cu2 F6 N6 O10 S2 -","- C30 H34 Cu2 F6 N6 O10 S2 -","- C60 H68 Cu4 F12 N12 O20 S4 -","2","1","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","","","0.71073","MoKα","","0.1413","0.0783","","","0.1564","0.1743","","","","","","0.998","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205328","10.92547","0.00017","7.96493","0.00012","18.36893","0.0003","90","","116.075","0.00084","90","","1435.78","0.04","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cu2 F6 N4 O8 S2 -","- C24 H20 Cu2 F6 N4 O8 S2 -","- C48 H40 Cu4 F12 N8 O16 S4 -","2","0.5","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0125","","1.78","","","","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205329","23.374","0.004","27.595","0.004","13.619","0.002","90","","90","","90","","8784","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H18 Cd N5 O6 -","- C21 H18 Cd N5 O6 -","- C336 H288 Cd16 N80 O96 -","16","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0326","0.0282","","","0.067","0.0697","","","","","","0.949","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205330","8.444","0.005","9.314","0.005","18.782","0.011","90","","95.106","0.007","90","","1471.3","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Fe2 N4 O10 -","- C12 H6 Fe2 N4 O10 -","- C48 H24 Fe8 N16 O40 -","4","0.5","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0695","0.0525","","","0.1606","0.173","","","","","","1.095","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205331","9.7125","0.0016","18.472","0.003","11.85","0.002","90","","94.31","0.002","90","","2120","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N4 O11.5 -","- C16 H16 Cu2 N4 O11.5 -","- C64 H64 Cu8 N16 O46 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0495","0.0394","","","0.1179","0.1262","","","","","","0.944","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205332","12.7702","0.0016","8.2854","0.001","11.1489","0.0014","90","","95.42","0.01","90","","1174.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 As O9 S Zn2 -","- C6 H9 As O9 S Zn2 -","- C24 H36 As4 O36 S4 Zn8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0407","0.0339","","","0.0843","0.0887","","","","","","1.029","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205333","12.5726","0.0008","13.0537","0.0007","14.0286","0.0011","90","","96.83","0.005","90","","2286","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 As2 Cd3 O16 S2 -","- C12 H16 As2 Cd3 O15.992 S1.996 -","- C48 H64 As8 Cd12 O63.968 S7.984 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0727","0.0514","","","0.1023","0.1122","","","","","","1.08","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205334","10.32","0.003","14.576","0.004","20.283","0.006","79.202","0.007","83.149","0.006","88.874","0.008","2975.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 As2 N8 O18 S2 Zn2 -","- C52 H52 As2 N8 O18 S2 Zn2 -","- C104 H104 As4 N16 O36 S4 Zn4 -","2","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1028","0.0665","","","0.1746","0.2012","","","","","","1.035","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205335","8.191","0.005","20.656","0.012","21.283","0.013","90","","94.942","0.013","90","","3588","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 As2 Cd2 N4 O12 S2 -","- C32 H26 As2 Cd2 N4 O12 S2 -","- C128 H104 As8 Cd8 N16 O48 S8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1116","0.08","","","0.1569","0.1746","","","","","","1.155","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205336","19.161","0.006","14.429","0.004","14.001","0.004","90","","90.449","0.004","90","","3871","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 As2 N4 O14 S2 Zn2 -","- C36 H30 As2 N4 O14 S2 Zn2 -","- C144 H120 As8 N16 O56 S8 Zn8 -","4","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.03","0.0269","","","0.0642","0.066","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205337","8.003","0.003","11.771","0.004","21.224","0.009","81.526","0.009","81.531","0.009","75.679","0.01","1903.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1098","0.0645","","","0.1334","0.1533","","","","","","0.88","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205338","8.631","0.007","11.609","0.007","11.754","0.007","60.83","0.03","73.29","0.04","75.08","0.04","975.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0988","0.0787","","","0.1591","0.1742","","","","","","0.923","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205339","8.393","0.002","9.906","0.003","13.577","0.004","88.783","0.009","74.243","0.006","75.784","0.008","1051.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0579","0.0389","","","0.0801","0.0885","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205340","8.43","0.003","11.21","0.004","13.47","0.005","91.35","0.002","107.89","0.005","111.45","0.004","1114.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0273","0.0226","","","0.0584","0.0602","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205341","14.0169","0.0011","8.0918","0.0005","15.4783","0.0014","90","","93.599","0.006","90","","1752.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 As N2 O6 S Zn -","- C16 H13 As N2 O6 S Zn -","- C64 H52 As4 N8 O24 S4 Zn4 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0399","0.0324","","","0.0727","0.0766","","","","","","1.065","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205342","17.88","0.003","10.4331","0.0017","21.17","0.003","90","","90","","90","","3949.1","1.1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H17 As N2 O8 S Zn -","- C16 H17 As N2 O8 S Zn -","- C128 H136 As8 N16 O64 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0376","0.033","","","0.0586","0.0609","","","","","","1.044","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205343","12.648","0.006","8.181","0.004","37.325","0.017","90","","94.225","0.007","90","","3852","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 As N2 O7 S Zn -","- C18 H15 As N2 O7 S Zn -","- C144 H120 As8 N16 O56 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1046","0.0692","","","0.1291","0.1497","","","","","","0.903","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205344","17.8507","0.0007","21.4219","0.0007","9.0526","0.0005","90","","108.98","0.02","90","","3273.5","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 N2 P2 Pt -","- C40 H32 N2 P2 Pt -","- C160 H128 N8 P8 Pt4 -","4","1","","Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong","Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound","CrystEngComm","2011","13","3","920","","10.1039/c0ce00382d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205345","11.29","0.003","12.609","0.004","10.281","0.003","90","","107.231","0.006","90","","1397.9","0.7","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H34 Co N4 O8 -","- C25 H34 Co N4 O8 -","- C50 H68 Co2 N8 O16 -","2","1","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0575","0.0415","","","0.1058","0.1337","","","","","","1.1","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205346","18.105","0.006","15.467","0.005","10.115","0.003","90","","97.76","0.005","90","","2806.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 N4 O8 Zn -","- C25 H35 N4 O8 Zn -","- C100 H140 N16 O32 Zn4 -","4","0.5","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0528","0.0453","","","0.1339","0.1484","","","","","","1.098","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205347","7.119","0.002","12.53","0.003","41.52","0.005","90","","90","","90","","3703.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","","- C34 H51 N5 O17 -","- C34 H51 N5 O17 -","- C136 H204 N20 O68 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.1033","0.0621","","","0.1289","0.1462","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205348","7.979","0.002","19.404","0.003","22.853","0.004","90","","90","","90","","3538.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","","- C36 H46.45 N5 O12.73 -","- C36 H46.454 N5 O12.727 -","- C144 H185.816 N20 O50.908 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.097","","","","","","1.078","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205349","7.605","0.002","21.238","0.005","23.666","0.005","90","","90","","90","","3822.4","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","","- C37 H49 N5 O13 -","- C37 H49 N5 O13 -","- C148 H196 N20 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0845","0.0711","","","0.154","0.1599","","","","","","1.197","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205350","9.406","0.0019","9.986","0.002","74.231","0.015","88.87","0.03","89.52","0.03","90.14","0.03","6971","2","300","2","300","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.3225","0.0731","","","0.1519","0.1723","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205351","9.742","0.0014","9.742","0.0014","74.419","0.015","90","","90","","90","","7063","2","343","2","343","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_ tetrabromocobaltate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","0.25","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.2886","0.0546","","","0.0846","0.0978","","","","","","0.975","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205352","9.1131","0.0018","25.5","0.005","14.645","0.003","90","","98.376","0.002","90","","3367","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methoxy-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methoxy-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate","","- C34 H39 F3 N2 O5 S Se2 -","- C34 H39 F3 N2 O5 S Se2 -","- C136 H156 F12 N8 O20 S4 Se8 -","4","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.7848","synchrotron","","0.1123","0.0612","","","0.1412","0.1683","","","","","","0.955","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205353","11.0233","0.0011","9.7399","0.0009","13.1575","0.0013","90","","98.227","0.005","90","","1398.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-((3-hexylbenzoselenazol-3-ium-2-yl)methylidene)-2-((3-hexyl- 3H-benzoselenazol-2-ylidene)methyl)-3-oxocyclobut-1-en-1-olate","4-[(3-hexylbenzoselenazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-3H- benzoselenazol-2-ylidene)methyl]-3-oxocyclobut-1-en-1-olate","","- C32 H36 N2 O2 Se2 -","- C32 H36 N2 O2 Se2 -","- C64 H72 N4 O4 Se4 -","2","0.5","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.1378","0.094","","","0.1974","0.2171","","","","","","1.159","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205354","12.8136","0.0003","13.1269","0.0004","13.1817","0.0004","109.022","0.001","98.479","0.002","116.888","0.001","1751.49","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methylamino-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate hydrate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methylamino-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate hydrate","","- C34 H42 F3 N3 O5 S Se2 -","- C34 H42 F3 N3 O5 S Se2 -","- C68 H84 F6 N6 O10 S2 Se4 -","2","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.074","0.0524","","","0.0998","0.1124","","","","","","1.063","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205355","23.4215","0.0009","13.4127","0.0003","25.2899","0.0009","90","","112.482","0.001","90","","7340.9","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-(2-Diethylamino-3-hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2- ylidenemethyl)-4-oxocyclobut-2-enylidenemethyl)-3-hexylbenzoselenazol-3- ium trifluoromethanesulfonate","2-[2-Diethylamino-3-hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-4- oxocyclobut-2-enylidenemethyl]-3-hexylbenzoselenazol-3-ium trifluoromethanesulfonate","","- C37 H46 F3 N3 O4 S Se2 -","- C37 H46 F3 N3 O4 S Se2 -","- C296 H368 F24 N24 O32 S8 Se16 -","8","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.0955","0.0501","","","0.096","0.1127","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205356","18.5317","0.0008","16.6605","0.0006","22.9353","0.0007","90","","94.289","0.003","90","","7061.4","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C192 H128 Cd8 N16 O48 S8 -","8","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.0587","0.0459","","","0.1147","0.1175","","","","","","1.004","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205357","13.961","0.0007","22.649","0.002","19.601","0.003","90","","101.374","0.009","90","","6076.2","1.1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.1325","0.0661","","","0.1138","0.1187","","","","","","0.979","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205358","10.1389","0.0007","22.0518","0.0012","14.1837","0.0009","90","","90","","90","","3171.2","0.3","180","2","180","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C24 H20 N4 O6 S Zn -","- C24 H20 N4 O6 S Zn -","- C96 H80 N16 O24 S4 Zn4 -","4","0.5","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0755","0.0523","","","0.1463","0.1522","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205359","7.2086","0.0004","12.3243","0.0007","13.8591","0.0009","110.122","0.005","97.975","0.005","92.728","0.004","1138.89","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Co N2 O6 S -","- C24 H14 Co N2 O6 S -","- C48 H28 Co2 N4 O12 S2 -","2","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0566","0.0405","","","0.0875","0.0906","","","","","","0.996","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205360","9.799","0.002","11.272","0.003","15.935","0.004","70.517","0.004","84.668","0.004","71.046","0.004","1569.1","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 La N O10 -","- C32 H29 La N O10 -","- C64 H58 La2 N2 O20 -","2","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0895","0.0726","","","0.1882","0.1954","","","","","","1.06","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205361","9.7792","0.0013","11.3331","0.0014","15.924","0.002","71.042","0.002","85.29","0.002","70.907","0.002","1576.7","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","1","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0445","0.0401","","","0.1021","0.1054","","","","","","1.041","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205362","13.3271","0.0008","10.2322","0.0006","8.0646","0.0005","90","","90","","90","","1099.73","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0165","0.0156","","","0.042","0.0426","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205363","11.5428","0.0009","6.9491","0.0005","10.38","0.0008","90","","116.321","0.001","90","","746.28","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C12 H16 Br4 Cd4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0266","0.0231","","","0.0595","0.061","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205364","6.9989","0.0008","10.3114","0.0012","12.9438","0.0012","90","","118.441","0.005","90","","821.39","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cd I N3 S -","- C3 H4 Cd I N3 S -","- C12 H16 Cd4 I4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0265","0.0232","","","0.061","0.0626","","","","","","1.083","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205365","10.8254","0.0005","7.8337","0.0003","17.8083","0.0008","90","","90","","90","","1510.2","0.11","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C24 H32 Br8 Cd8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0261","0.0217","","","0.0522","0.054","","","","","","1.046","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205366","10.813","0.002","7.6106","0.0016","17.77","0.004","90","","90","","90","","1462.4","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Cd Cl N3 S -","- C3 H4 Cd Cl N3 S -","- C24 H32 Cd8 Cl8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0269","0.0214","","","0.0492","0.0519","","","","","","1.005","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205367","6.8059","0.0004","9.6914","0.0005","9.7577","0.0005","90.57","0.001","109.664","0.001","94.798","0.001","603.45","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","1","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0206","0.0193","","","0.0509","0.0516","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205368","16.783","0.002","7.5603","0.0011","12.1864","0.0017","90","","100.689","0.008","90","","1519.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-ferrocenyl-6-methoxy-benzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C76 H64 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.0565","0.0363","","","0.085","0.0942","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205369","7.549","0.001","9.734","0.0013","11.35","0.0016","96.452","0.008","103.358","0.007","110.027","0.007","745.47","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","3-ferrocenyl-4-methoxybenzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C38 H32 Fe2 O2 S2 -","2","2","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.036","0.0333","","","0.0782","0.0903","","","","","","1.072","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205370","12.6961","0.0017","6.0031","0.0008","24.66","0.003","90","","102.74","0.002","90","","1833.2","0.4","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.1327","0.0985","","","0.2326","0.251","","","","","","1.096","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205371","12.6246","0.0013","6.0584","0.0006","21.936","0.002","90","","96.467","0.002","90","","1667.1","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.076","0.0644","","","0.1902","0.1982","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205372","7.6688","0.0003","15.188","0.0006","11.8332","0.0005","90","","101.347","0.0011","90","","1351.32","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-(dimethylamino)styryl)-1-(2,5-dimethylbenzyl)pyridinium 4-methylbenzenesulfonate","","- C31 H34 N2 O3 S -","- C31 H34 N2 O3 S -","- C62 H68 N4 O6 S2 -","2","1","","Kim, Pil-Joo; Jeong, Jae-Hyeok; Jazbinsek, Mojca; Kwon, Seong-Ji; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Baek, In-Hyung; Rotermund, Fabian; Günter, Peter; Kwon, O-Pil","Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state","CrystEngComm","2011","13","2","444","","10.1039/c0ce00456a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0823","0.0969","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205373","30.632","0.0013","13.6735","0.0015","14.9266","0.0016","90","","95.758","0.002","90","","6220.4","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Co N4 O6 S -","- C27 H24 Co N4 O6 S -","- C216 H192 Co8 N32 O48 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0801","0.0536","","","0.105","0.1096","","","","","","0.999","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205374","31.561","0.003","11.4596","0.001","14.619","0.0013","90","","96.115","0.001","90","","5257.3","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Co N4 O5 S -","- C25 H20 Co N4 O5 S -","- C200 H160 Co8 N32 O40 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0726","0.0496","","","0.0897","0.093","","","","","","0.988","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205375","19.3767","0.0003","23.1849","0.0007","13.7787","0.0003","90","","126.742","0.0013","90","","4960.3","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 N6 O13 -","- C53 H54 N6 O13 -","- C212 H216 N24 O52 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.1289","0.0742","","","0.14","0.1599","","","","","","1.036","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205376","7.9466","0.0002","8.6064","0.0002","14.9515","0.0004","79.1115","0.0011","76.3526","0.001","62.5022","0.001","877.63","0.04","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O11 -","- C18 H16 O11 -","- C36 H32 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0841","0.0519","","","0.125","0.1418","","","","","","0.994","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205377","8.8934","0.0002","8.9328","0.0002","12.6735","0.0003","81.2596","0.0011","69.6581","0.0011","60.9613","0.001","825.19","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 La O11 -","- C17 H11 La O11 -","- C34 H22 La2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0841","0.0883","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205378","8.8277","0.0001","8.8751","0.0002","12.6582","0.0003","81.0037","0.0008","69.8251","0.0009","61.2379","0.0018","815.98","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Nd O11 -","- C17 H11 Nd O11 -","- C34 H22 Nd2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0418","0.035","","","0.0817","0.0851","","","","","","1.064","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205379","9.9205","0.0002","10.6776","0.0003","11.7567","0.0004","96.6635","0.0012","108.338","0.0013","106.837","0.0015","1101.63","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 O17 Sm -","- C17 H23 O17 Sm -","- C34 H46 O34 Sm2 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0319","0.0285","","","0.0644","0.066","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205380","14.8023","0.0006","20.1819","0.0006","7.1981","0.0002","90","","103.297","0.0014","90","","2092.7","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Dy O15 -","- C17 H19 Dy O15 -","- C68 H76 Dy4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0684","0.052","","","0.0955","0.1006","","","","","","1.157","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205381","14.8422","0.0003","20.2605","0.0003","7.2273","0.0001","90","","103.63","0.0005","90","","2112.12","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Eu O15 -","- C17 H19 Eu O15 -","- C68 H76 Eu4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0458","0.0329","","","0.0858","0.0953","","","","","","0.913","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205382","8.5147","0.0002","10.2584","0.0002","12.454","0.0005","68.4154","0.001","89.3378","0.0011","72.78","0.002","960.38","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 La O14 -","- C18 H19 La O14 -","- C36 H38 La2 O28 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0495","0.0376","","","0.0837","0.0899","","","","","","0.928","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205383","8.5679","0.0003","9.9939","0.0003","12.5472","0.0005","91.596","0.0015","94.8827","0.0014","93.4052","0.0016","1068","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0635","0.0484","","","0.1215","0.1294","","","","","","1.016","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205384","8.5589","0.0002","9.9686","0.0003","12.524","0.0004","91.3986","0.0013","94.9577","0.0012","93.4852","0.0011","1062.11","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0533","0.0402","","","0.1016","0.1097","","","","","","0.904","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205385","8.0901","0.0003","10.1509","0.0004","14.6134","0.0007","82.8401","0.0018","88.141","0.002","66.521","0.003","1091.94","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 Ce O13 -","- C18 H17 Ce O13 -","- C36 H34 Ce2 O26 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0577","0.0426","","","0.0887","0.0931","","","","","","1.001","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205386","9.6328","0.0008","23.4438","0.0019","6.8997","0.0006","90","","98.826","0.001","90","","1539.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cu3 N5 -","- C15 H8 Cu3 N5 -","- C60 H32 Cu12 N20 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0569","0.035","","","0.0822","0.0899","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205387","8.5451","0.0003","11.6761","0.0004","12.5593","0.0005","90","","100.911","0.001","90","","1230.43","0.08","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu2 N4 -","- C12 H8 Cu2 N4 -","- C48 H32 Cu8 N16 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0346","0.0292","","","0.0805","0.084","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205388","7.429","0.0003","14.1167","0.0006","16.1356","0.0007","68.734","0.001","80.866","0.001","81.606","0.001","1549.76","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cu4 N8 -","- C30 H28 Cu4 N8 -","- C60 H56 Cu8 N16 -","2","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0653","0.0375","","","0.0891","0.1008","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205389","7.2594","0.0012","9.3403","0.0016","11.835","0.002","71.216","0.002","76.045","0.002","70.261","0.002","707.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0344","0.0295","","","0.0709","0.0734","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205390","8.395","0.0012","9.5035","0.0013","10.2058","0.0014","71.53","0.002","84.594","0.002","72.106","0.002","734.93","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0526","0.0396","","","0.0915","0.0985","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205391","9.8594","0.0017","11.0993","0.0018","13.426","0.002","90","","93.789","0.002","90","","1466","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C40 H60 N36 Zn4 -","4","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0635","0.049","","","0.1268","0.1393","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205392","11.5834","0.0005","12.1886","0.0006","12.8749","0.0006","68.52","0.004","69.688","0.004","71.439","0.004","1547.77","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","1","0.5","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.1104","0.0572","","","0.1287","0.1484","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205393","29.9029","0.0008","29.9029","0.0008","6.6248","0.0003","90","","90","","90","","5923.8","0.3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H12 Mn N2 O2 -","- C18 H12 Mn N2 O2 -","- C288 H192 Mn16 N32 O32 -","16","1","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.0956","0.0363","","","0.0381","0.0416","","","","","","0.838","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205394","15.678","0.003","9.197","0.0019","9.414","0.002","90","","90","","90","","1357.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H6 Co O8 -","- C16 H6 Co O8 -","- C64 H24 Co4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0447","0.0339","","","0.0807","0.0841","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205395","15.764","0.003","9.1079","0.0015","9.7436","0.0015","90","","90","","90","","1399","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Mn O8 -","- C16 H8 Mn O8 -","- C64 H32 Mn4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0812","0.0547","","","0.0961","0.1048","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205396","10.642","0.002","10.768","0.002","14.943","0.003","90","","91.763","0.002","90","","1711.6","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 Cd N2 O5 -","- C20 H13 Cd N2 O5 -","- C80 H52 Cd4 N8 O20 -","4","1","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0385","0.0311","","","0.0601","0.0618","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205397","14.432","0.005","22.089","0.008","11.142","0.004","90","","90.807","0.006","90","","3552","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 Eu2 N2 O14 -","- C30 H23 Cl3 Eu2 N2 O14 -","- C120 H92 Cl12 Eu8 N8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0733","0.0683","","","0.2067","0.2122","","","","","","1.171","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205398","14.367","0.004","22.032","0.006","11.119","0.003","90","","90.843","0.005","90","","3519.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 Nd2 O14 -","- C30 H23 Cl3 N2 Nd2 O14 -","- C120 H92 Cl12 N8 Nd8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0474","0.0447","","","0.1184","0.1205","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205399","14.24","0.0014","21.831","0.002","11.0019","0.0011","90","","91.119","0.002","90","","3419.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 O14 Pr2 -","- C30 H23 Cl3 N2 O14 Pr2 -","- C120 H92 Cl12 N8 O56 Pr8 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0464","0.0444","","","0.1252","0.1271","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205400","11.552","0.001","8.0069","0.0007","5.8733","0.0004","90","","90","","90","","543.26","0.08","220","0.1","220","0.1","100","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0432","0.0329","","","0.0837","0.0866","","","","","","0.999","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205401","11.266","0.002","7.748","0.008","5.7183","0.0012","90","","90","","90","","499.1","0.5","295","2","295","2","750000","","750000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0628","0.0586","","","0.113","0.1141","","","","","","1.256","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205402","11.0912","0.0019","7.588","0.007","5.6253","0.001","90","","90","","90","","473.4","0.5","295","2","295","2","1150000","","1150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0516","0.0475","","","0.1314","0.1386","","","","","","1.223","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205403","10.914","0.002","7.414","0.006","5.535","0.001","90","","90","","90","","447.9","0.4","295","2","295","2","2150000","","2150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0595","0.0576","","","0.1222","0.1248","","","","","","1.136","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205404","7.161","0.002","22.009","0.004","10.675","0.003","90","","102.56","0.03","90","","1642.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Cu2 N4 O15 -","- C28 H36 Cu2 N4 O15 -","- C56 H72 Cu4 N8 O30 -","2","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0646","0.0387","","","0.0844","0.0926","","","","","","0.894","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205405","6.7063","0.0002","15.3526","0.0004","20.2188","0.0005","90","","90","","90","","2081.71","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cu N2 O12 -","- C16 H24 Cu N2 O12 -","- C64 H96 Cu4 N8 O48 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0627","0.0622","","","0.155","0.1554","","","","","","1.25","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205406","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0295","0.0281","","","0.0724","0.0746","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205407","17.0525","0.0006","8.4867","0.0003","22.6931","0.0008","90","","111.708","0.002","90","","3051.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu2 N4 O14 S2 -","- C25 H28 Cu2 N4 O14 S2 -","- C100 H112 Cu8 N16 O56 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0612","0.0597","","","0.1615","0.163","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205408","13.661","0.003","16.064","0.003","15.037","0.003","90","","108.25","0.03","90","","3133.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cl4 Cu4 N17 O0 -","- C48 H67 Cl4 Cu4 N17 -","- C96 H134 Cl8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.1171","0.0679","","","0.172","0.2011","","","","","","1.01","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205409","14.01","0.003","16.294","0.003","14.793","0.003","90","","106.91","0.03","90","","3230.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Br4 Cu4 N17 O0 -","- C48 H67 Br4 Cu4 N17 -","- C96 H134 Br8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0667","0.0412","","","0.1202","0.1308","","","","","","1.099","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205410","11.399","0.002","18.994","0.004","14.784","0.003","90","","94.84","0.03","90","","3189.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H3 Cu2 I2 N9 O0 -","- C25 H3 Cu2 I2 N9 -","- C100 H12 Cu8 I8 N36 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0687","0.0501","","","0.1292","0.1426","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205411","18.747","0.004","8.055","0.0016","20.321","0.004","90","","108.67","0.03","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cu2 N10 S2 -","- C25 H32 Cu2 N10 S2 -","- C100 H128 Cu8 N40 S8 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0566","0.045","","","0.1096","0.117","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205412","11.738","0.002","7.8457","0.0016","15.623","0.003","90","","97.05","0.03","90","","1427.9","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H32 Cu3 N12 -","- C25 H32 Cu3 N12 -","- C50 H64 Cu6 N24 -","2","0.5","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0456","0.0372","","","0.1047","0.1108","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205413","21.2366","0.0019","16.6665","0.0019","20.151","0.002","90","","105.735","0.002","90","","6865","1.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 Cu4 Ge2 Mo3.5 N12 O106 W20.5 -","- C36 Cu4 Ge2 Mo3.48 N12 O104 W20.52 -","- C72 Cu8 Ge4 Mo6.96 N24 O208 W41.04 -","2","0.25","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.1023","0.0876","","","0.18","0.1864","","","","","","1.078","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205414","12.5854","0.001","12.7542","0.001","21.544","0.0017","78.741","0.001","75.222","0.001","61.183","0.001","2919","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 Cu Ge2 K6 Mo4 N12 O92 W20 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","1","0.5","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.0693","0.0445","","","0.0983","0.1104","","","","","","1","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205415","20.4711","0.0017","20.4711","0.0017","9.5827","0.0014","90","","90","","120","","3477.8","0.7","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C162 H198 N6 O18 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0748","0.0547","","","0.122","0.1295","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205416","12.5863","0.0001","12.5863","0.0001","28.7108","0.0005","90","","90","","120","","3938.87","0.08","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C162 H204 Cl6 N6 O42 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0449","0.0326","","","0.0848","0.0906","","","","","","0.956","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205417","10.5293","0.0002","10.721","0.0001","13.2388","0.0002","98.567","0.0012","109.224","0.001","97.028","0.0011","1371.67","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C54 H68 Cl2 N2 O14 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0914","0.0795","","","0.1937","0.2108","","","","","","1.078","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205418","13.5714","0.0002","14.9166","0.0002","15.3649","0.0003","93.257","0.0011","96.049","0.001","116.25","0.0011","2755.44","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C108 H136 Cl4 N4 O28 -","4","2","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0938","0.0654","","","0.199","0.232","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205419","43.2178","0.0012","7.605","0.0002","17.6312","0.0004","90","","105.385","0.003","90","","5587.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Br N O5 -","- C27 H38 Br N O5 -","- C216 H304 Br8 N8 O40 -","8","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.1051","0.0352","","","0.0861","0.1094","","","","","","0.941","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205420","10.0888","0.0003","12.3654","0.0004","13.7716","0.0004","81.26","0.002","76.965","0.002","83.641","0.001","1649.1","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C66 H72 N8 O20 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0958","0.0529","","","0.1454","0.1646","","","","","","0.924","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205421","9.89","0.002","28.388","0.006","11.602","0.003","90","","92.896","0.009","90","","3253.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C132 H144 N16 O40 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.176","0.0551","","","0.1256","0.1537","","","","","","0.98","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205422","13.4682","0.0013","13.6433","0.0013","20.291","0.002","90","","104.935","0.003","90","","3602.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O11 -","- C37 H39 N O11 -","- C148 H156 N4 O44 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0982","0.0615","","","0.1328","0.1611","","","","","","0.937","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205423","7.5092","0.0016","10.629","0.002","13.198","0.003","93.501","0.004","98.322","0.003","108.989","0.004","979","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cd N4 O7 -","- C21 H14 Cd N4 O7 -","- C42 H28 Cd2 N8 O14 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0292","0.0282","","","0.0724","0.073","","","","","","1.09","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205424","9.22","0.0018","18.831","0.004","10.75","0.002","90","","104.087","0.002","90","","1810.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cd2 N8 O13 -","- C34 H22 Cd2 N8 O13 -","- C68 H44 Cd4 N16 O26 -","2","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0362","0.0299","","","0.0773","0.0794","","","","","","1.181","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205425","6.059","0.004","17.373","0.012","14.478","0.01","90","","90","0.001","90","","1524","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N4 O4 -","- C17 H11 Cd N4 O4 -","- C68 H44 Cd4 N16 O16 -","4","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0767","0.0787","","","","","","1.015","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205426","8.254","0.003","9.984","0.005","13.965","0.005","78.013","0.013","87.68","0.04","69.43","0.02","1053.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","1","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0893","0.0926","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205427","10.5555","0.0007","10.755","0.001","10.9889","0.0008","70.527","0.01","81.613","0.002","85.343","0.001","1162.86","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N4 O10 -","- C22 H16 Cd2 N4 O10 -","- C44 H32 Cd4 N8 O20 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0309","0.027","","","0.0687","0.0706","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205428","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0508","0.0397","","","0.105","0.1128","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205429","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","neutron","0.7","Neutron","","0.0416","0.0318","","","0.0586","0.0619","","","","","","1.096","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205430","14.2326","0.0014","4.0156","0.0005","13.8877","0.0012","90","","98.5","0.009","90","","785","0.14","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(4-fluorophenylcarbonate)","","- C18 H12 F2 O6 -","- C18 H12 F2 O6 -","- C36 H24 F4 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0864","0.0899","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205431","6.8592","0.0005","4.8508","0.0003","27.201","0.002","90","","102.247","0.006","90","","884.45","0.11","150","1","150","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbamate)","","- C18 H6 F10 N2 O4 -","- C18 H6 F10 N2 O4 -","- C36 H12 F20 N4 O8 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.054","0.0344","","","0.0805","0.0842","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205432","5.8951","0.0009","10.1943","0.0016","17.245","0.002","90","","108.115","0.005","90","","985","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C20 H4 F10 O6 -","- C20 H4 F10 O6 -","- C40 H8 F20 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.114","0.12","","","","","","1.152","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205433","6.6399","0.0013","9.959","0.002","14.116","0.003","79.8","0.03","87.28","0.03","84.3","0.03","913.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Ag N4 O4 -","- C20 H13 Ag N4 O4 -","- C40 H26 Ag2 N8 O8 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0264","0.0245","","","0.0601","0.0613","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205434","7.8033","0.0016","12.222","0.002","14.569","0.003","108.39","0.03","99.67","0.03","95.65","0.03","1282.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","1","0.5","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.1087","0.0885","","","0.2239","0.2584","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205435","33.834","0.007","6.0198","0.0012","14.566","0.003","90","","109.49","0.03","90","","2796.7","1.1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H18 Ag4 N4 O9 -","- C28 H18 Ag4 N4 O9 -","- C112 H72 Ag16 N16 O36 -","4","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0179","0.0173","","","0.0408","0.0424","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205436","9.906","0.002","11.06","0.002","11.52","0.002","69.44","0.03","70.84","0.03","87.16","0.03","1113.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag2 N4 O9 -","- C20 H22 Ag2 N4 O9 -","- C40 H44 Ag4 N8 O18 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0451","0.0388","","","0.1033","0.1072","","","","","","1.094","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205437","5.113","0.005","15.131","0.005","15.413","0.005","108.414","0.005","94.125","0.005","96.846","0.005","1115.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","1","0.5","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","0.71073","MoKα","","0.1998","0.107","","","0.2886","0.339","","","","","","0.979","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205438","4.8813","0.0011","10.601","0.002","18.823","0.004","96.91","0.004","91.332","0.004","98.65","0.004","955.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F3 N4 O3 S -","- C20 H15 F3 N4 O3 S -","- C40 H30 F6 N8 O6 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.0651","0.0484","","","0.1159","0.1261","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205439","4.6294","0.0001","11.297","0.0003","24.1522","0.0007","89.9","0.002","86.295","0.001","81.042","0.002","1245.06","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 N4 O6 S -","- C25 H21 F3 N4 O6 S -","- C50 H42 F6 N8 O12 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","1.54178","CuKα","","0.0748","0.0585","","","0.1162","0.1256","","","","","","1.046","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205440","10.0502","0.0002","5.6882","0.0002","19.3565","0.0004","90","","97.058","0.002","90","","1098.18","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N4 O5 S -","- C22 H17 F3 N4 O5 S -","- C44 H34 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0419","0.038","","","0.0927","0.0954","","","","","","1.085","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205441","30.9755","0.0004","6.7922","0.0001","41.2428","0.0004","90","","94.597","0.001","90","","8649.23","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15.5 F3 N4 O3.75 S -","- C21 H15.5 F3 N4 O3.75 S -","- C336 H248 F48 N64 O60 S16 -","16","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0861","0.0698","","","0.1821","0.1923","","","","","","1.087","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205442","4.7288","0.0011","9.1387","0.0019","30.731","0.006","93.847","0.014","94.068","0.015","98.881","0.014","1304.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 F3 N4 O5 S -","- C26 H24 F3 N4 O5 S -","- C52 H48 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.19","0.1015","","","0.2674","0.334","","","","","","1.016","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205443","4.8341","0.0001","20.1082","0.0005","27.8986","0.0009","76.114","0.001","88.138","0.002","88.318","0.001","2630.59","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F3 N4 O5 S -","- C26 H25 F3 N4 O5 S -","- C104 H100 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0602","0.0481","","","0.1243","0.1323","","","","","","1.104","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205444","4.2653","0.0001","10.5529","0.0004","26.0208","0.0007","79.685","0.003","86.626","0.003","85.887","0.003","1148.07","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C46 H38 F6 N8 O10 S2 -","2","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0685","0.0594","","","0.1481","0.1544","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205445","19.0132","0.0004","4.519","0.0001","26.8556","0.0004","90","","98.814","0.001","90","","2280.2","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C92 H76 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.091","0.0651","","","0.1546","0.1712","","","","","","1.034","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205446","9.396","0.006","13.535","0.008","17.036","0.01","104.757","0.008","91.076","0.007","90.354","0.008","2095","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 F6 N8 O8 S2 -","- C44 H29 F6 N8 O8 S2 -","- C88 H58 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.2087","0.1016","","","0.2283","0.2929","","","","","","0.986","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205447","11.3294","0.0002","13.7454","0.0003","15.9536","0.0004","112.029","0.001","90.006","0.002","112.28","0.001","2101.56","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F6 N8 O8 S2 -","- C44 H32 F6 N8 O8 S2 -","- C88 H64 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0637","0.0472","","","0.1204","0.1309","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205448","14.506","0.005","6.418","0.002","16.25","0.005","90","","109.421","0.004","90","","1426.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Ag3 N7 -","- C9 H12 Ag3 N7 -","- C36 H48 Ag12 N28 -","4","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0361","0.0311","","","0.074","0.0761","","","","","","0.984","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205449","7.252","0.004","11.319","0.007","15.859","0.009","80.714","0.007","85.325","0.007","78.239","0.007","1256.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","1","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.06","0.049","","","0.1406","0.147","","","","","","1.054","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205450","21.816","0.009","21.816","0.009","6.881","0.004","90","","90","","90","","3275","3","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C16 H27 Ag6 Cl N12 O2 -","- C16 H24 Ag6 Cl N12 O2 -","- C64 H96 Ag24 Cl4 N48 O8 -","4","0.125","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0479","0.038","","","0.0982","0.1026","","","","","","1.14","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205451","9.287","0.003","7.0017","0.0019","13.168","0.004","90","","91.941","0.004","90","","855.8","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0354","0.0292","","","0.0772","0.0974","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205452","9.291","0.005","7.006","0.003","13.182","0.006","90","","91.935","0.007","90","","857.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0425","0.0336","","","0.0854","0.1136","","","","","","0.962","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205453","13.785","0.003","15.175","0.003","19.161","0.004","86.08","0.03","71.73","0.03","73.39","0.03","3646.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 N9 O23 Yb3 -","- C63 H49 N9 O23 Yb3 -","- C126 H98 N18 O46 Yb6 -","2","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.2273","0.0897","","","0.1896","0.2474","","","","","","0.988","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205454","14.504","0.003","23.595","0.007","18.676","0.007","90","","124.2","0.04","90","","5286","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47 N6 O7.5 Yb2 -","- C61 H47 N6 O7.5 Yb2 -","- C244 H188 N24 O30 Yb8 -","4","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.0808","0.0519","","","0.0998","0.1111","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205455","27.772","0.016","15.198","0.009","15.174","0.009","90","","104.897","0.013","90","","6189","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Co3 N6 O12 -","- C72 H54 Co3 N6 O12 -","- C288 H216 Co12 N24 O48 -","4","0.5","","Luo, Feng; Zou, Jin; Ning, Yang; Wang, Yong; Feng, Xue-Feng; Yan, Gui-le; Wei, Fan-shu; Luo, Wen-wu; Xu, Wen-yuan; Huang, Guo-lin","New topology observed in highly rare interlaced triple-stranded molecular braid","CrystEngComm","2011","13","2","421","","10.1039/c0ce00564a","","","0.71073","MoKα","","0.1165","0.0682","","","0.1695","0.1963","","","","","","1.039","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205456","13.483","0.003","13.994","0.003","17.054","0.003","69.26","0.03","82.67","0.03","89.13","0.03","2983.1","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N4 O14 Zn4 -","- C70 H58 N4 O14 Zn4 -","- C140 H116 N8 O28 Zn8 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0565","0.0473","","","0.0998","0.1049","","","","","","1.096","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205457","9.5105","0.0019","9.829","0.002","14.496","0.003","106.93","0.03","97.29","0.03","102.26","0.03","1240.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C60 H48 N4 O8 Zn2 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0492","0.0373","","","0.083","0.0879","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205458","25.029","0.005","5.8653","0.0012","20.98","0.004","90","","92.38","0.03","90","","3077.3","1.1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0726","0.0624","","","0.1782","0.1897","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205459","14.4305","0.0015","9.9821","0.0009","25.489","0.002","90","","90.917","0.001","90","","3671.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd2 I4 N12 -","- C28 H24 Cd2 I4 N12 -","- C112 H96 Cd8 I16 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1141","0.0908","","","0.1886","0.2025","","","","","","1.158","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205460","18.1301","0.0019","8.2353","0.0007","24.658","0.002","90","","101.996","0.002","90","","3601.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Br6 Cd3 N12 -","- C28 H24 Br6 Cd3 N12 -","- C112 H96 Br24 Cd12 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0512","0.0355","","","0.0908","0.0959","","","","","","1.03","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205461","25.887","0.002","6.751","0.001","25.753","0.002","90","","104.269","0.002","90","","4361.8","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd5 Cl10 N12 -","- C28 H24 Cd5 Cl10 N12 -","- C112 H96 Cd20 Cl40 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0978","0.0593","","","0.1487","0.1871","","","","","","1.121","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205462","9.9448","0.0011","23.481","0.003","9.1979","0.0012","90","","112.179","0.001","90","","1988.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd I2 N6 -","- C15 H14 Cd I2 N6 -","- C60 H56 Cd4 I8 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0526","0.0342","","","0.0649","0.0729","","","","","","1.071","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205463","10.5203","0.0009","23.232","0.003","8.5244","0.0007","90","","111.578","0.001","90","","1937.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 Cd N6 -","- C16 H16 Br2 Cd N6 -","- C64 H64 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0454","0.0347","","","0.0757","0.079","","","","","","1.11","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205464","10.2326","0.0011","12.402","0.0017","16.713","0.002","90","","91.978","0.001","90","","2119.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br2 Cd N6 -","- C18 H20 Br2 Cd N6 -","- C72 H80 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0409","0.0263","","","0.0572","0.0618","","","","","","1.017","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205465","16.8129","0.0018","57.479","0.004","9.5157","0.0013","90","","98.392","0.001","90","","9097.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H80 Cd4 I8 N24 -","- C72 H80 Cd4 I8 N24 -","- C288 H320 Cd16 I32 N96 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1302","0.0615","","","0.1389","0.178","","","","","","1.044","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205466","6.7587","0.0002","19.4871","0.0008","31.012","0.0011","90","","90","","90","","4084.5","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C192 H144 O16 S16 -","8","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0944","0.0555","","","0.1529","0.1771","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205467","16.3268","0.0005","22.014","0.0008","5.3481","0.0001","90","","90","","90","","1922.2","0.1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C96 H72 O8 S8 -","4","0.5","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.178","0.0807","","","0.2293","0.2911","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205468","4.5694","0.0004","23.812","0.002","11.7744","0.0009","90","","99.299","0.006","90","","1264.3","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C64 H40 O8 S4 -","4","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0887","0.0528","","","0.1389","0.1661","","","","","","0.969","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205469","7.7573","0.0009","8.3355","0.0008","10.1969","0.0011","75.158","0.007","89.963","0.007","86.091","0.007","635.76","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C32 H20 O4 S2 -","2","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0491","0.0402","","","0.1327","0.1467","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205470","10.0492","0.0005","10.7503","0.0004","11.8342","0.0005","85.893","0.002","77.451","0.0019","66.043","0.002","1140.22","0.09","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 B N6 O -","- C30 H17 B N6 O -","- C60 H34 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.079","0.0519","","","0.1262","0.1448","","","","","","1.055","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205471","10.1555","0.0003","10.9258","0.0004","11.7215","0.0004","86.353","0.0017","78.496","0.002","66.987","0.0018","1172.88","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C62 H38 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.0651","0.0465","","","0.1138","0.1264","","","","","","1.058","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205472","8.5535","0.0002","12.7466","0.0004","13.2395","0.0004","79.9663","0.0014","78.2792","0.0016","70.9358","0.0017","1326.75","0.07","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1178","0.0601","","","0.1434","0.1787","","","","","","1.045","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205473","16.453","0.0004","11.9941","0.0002","17.5406","0.0004","90","","108.19","0.0011","90","","3288.46","0.12","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B N6 O -","- C41 H36 B N6 O -","- C164 H144 B4 N24 O4 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1108","0.0562","","","0.1309","0.1595","","","","","","1.051","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205474","10.042","0.0003","10.7558","0.0004","11.7366","0.0004","85.821","0.0018","77.156","0.0019","66.582","0.0019","1133.97","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1005","0.0553","","","0.1262","0.1536","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205475","39.052","0.006","9.8693","0.0013","26.197","0.004","90","","120.12","0.005","90","","8733","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Ag3 N6 O11 -","- C45 H46 Ag3 N6 O11 -","- C360 H368 Ag24 N48 O88 -","8","1","","Yang, Guo-Ping; Zhou, Jun-Hong; Wang, Yao-Yu; Liu, Ping; Shi, Chun-Cheng; Fu, Ai-Yun; Shi, Qi-Zhen","An unusual 1D ladder-like silver(i) coordination polymer involving novel 1D →3D five-folded interpenetrated and [3 + 2] catenaned features generated by Ag⋯O interactions","CrystEngComm","2011","13","1","33","","10.1039/c0ce00601g","","","0.71073","MoKα","","0.1255","0.0678","","","0.1953","0.2236","","","","","","1.008","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205476","5.9593","0.0012","13.522","0.003","13.599","0.003","114.71","0.03","93.33","0.03","93.88","0.03","988.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ba N3 O7 S -","- C18 H16 Ba N3 O7 S -","- C36 H32 Ba2 N6 O14 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Zhang, Guangju; Sun, Dianzhen; He, Jianghong; Yuan, Ruo; Wang, Enbo","An unprecedented (5,12)-connected 3D self-penetrating metal‒organic framework based on dinuclear barium clusters as building blocks","CrystEngComm","2011","13","2","433","","10.1039/c0ce00622j","","","0.71073","MoKα","","0.0199","0.019","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205477","6.9659","0.0007","29.074","0.003","7.857","0.0008","90","","105.268","0.001","90","","1535.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd2 N4 O12 -","- C32 H28 Cd2 N4 O12 -","- C64 H56 Cd4 N8 O24 -","2","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.038","0.0367","","","0.1003","0.1015","","","","","","1.111","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205478","10.214","0.0009","10.5245","0.0009","11.245","0.001","90","","97.857","0.001","90","","1197.46","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Co N4 O9 -","- C24 H26 Co N4 O9 -","- C48 H52 Co2 N8 O18 -","2","1","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0399","0.0394","","","0.1061","0.1066","","","","","","1.178","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205479","7.2812","0.001","10.7032","0.0014","10.8333","0.0014","95.672","0.002","103.322","0.002","109.235","0.002","761.52","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","1","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0418","0.0396","","","0.1076","0.1094","","","","","","1.149","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205480","9.5667","0.0001","16.4081","0.0002","16.4469","0.0002","90","","90","","90","","2581.69","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cd2 N4 O12 -","- C20 H28 Cd2 N4 O12 -","- C80 H112 Cd8 N16 O48 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54178","CuKα","","0.0276","0.0241","","","0.0554","0.0567","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205481","9.3702","0.0006","9.3702","0.0006","14.7404","0.0013","90","","90","","90","","1294.22","0.16","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 Co N2 O7 -","- C10 H16 Co N2 O7 -","- C40 H64 Co4 N8 O28 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0228","0.0217","","","0.0552","0.0554","","","","","","1.107","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205482","6.0278","0.0003","12.0022","0.0006","9.2687","0.0004","90","","97.549","0.004","90","","664.75","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 Ni O6 -","- C10 H14 N2 Ni O6 -","- C20 H28 N4 Ni2 O12 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54184","CuKα","","0.0428","0.0388","","","0.1009","0.1039","","","","","","1.104","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205483","9.3479","0.0002","9.3479","0.0002","14.7797","0.0003","90","","90","","90","","1291.5","0.05","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 N2 O7 Zn -","- C10 H16 N2 O7 Zn -","- C40 H64 N8 O28 Zn4 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0348","0.0278","","","0.0441","0.0454","","","","","","0.789","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205484","8.4907","0.0006","9.3897","0.0008","16.0819","0.001","90","","90","","90","","1282.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N2 O5 -","- C11 H14 Cd N2 O5 -","- C44 H56 Cd4 N8 O20 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0427","0.0303","","","0.0526","0.0545","","","","","","0.951","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205485","6.188","0.0001","7.2073","0.0002","8.7257","0.0003","102.042","0.001","104.124","0.001","113.839","0.001","323.824","0.016","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","1","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.017","0.0169","","","0.0431","0.0431","","","","","","1.07","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205486","11.3635","0.0014","14.1791","0.0017","15.1146","0.0018","90","","111.006","0.002","90","","2273.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0575","0.0432","","","0.1118","0.1197","","","","","","1.04","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205487","11.3843","0.0015","14.2937","0.0019","15.125","0.002","90","","111.656","0.003","90","","2287.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32.007 H24.007 O2 -","- C128.028 H96.028 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0712","0.0471","","","0.1191","0.1308","","","","","","1.019","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205488","11.3564","0.0014","14.1618","0.0017","15.1141","0.0018","90","","111.017","0.002","90","","2269","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.058","0.0439","","","0.1108","0.1189","","","","","","1.021","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205489","10.0998","0.0007","12.1043","0.0008","11.8472","0.0008","90","","98.582","0.001","90","","1432.12","0.17","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Bi2 O6 -","- C8 H4 Bi2 O6 -","- C48 H24 Bi12 O36 -","6","1.5","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0328","0.0256","","","0.0585","0.0619","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205490","11.6396","0.0017","11.7565","0.0017","13.0034","0.0019","101.04","0.003","93.708","0.003","114.402","0.002","1569.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12.36 Bi4 N3 O22.68 -","- C24 H9 Bi4 N3 O22.68 -","- C48 H18 Bi8 N6 O45.36 -","2","1","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0539","0.0401","","","0.087","0.0929","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205491","14.5579","0.0014","14.5579","0.0014","16.2961","0.0016","90","","90","","90","","3453.7","0.6","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Br Cu H2 I2 O2 Pb2 -","- Br Cu H2 I2 O2 Pb2 -","- Br16 Cu16 H32 I32 O32 Pb32 -","16","0.5","","Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices","CrystEngComm","2011","13","2","414","","10.1039/c0ce00651c","","","0.71073","MoKα","","0.0907","0.0727","","","0.1995","0.2178","","","","","","1.067","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205492","18.022","0.004","16.787","0.003","22.439","0.005","90","","104.818","0.002","90","","6563","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PgC4GP","","","- C65 H102 N2 O20 -","- C65 H102 N2 O20 -","- C260 H408 N8 O80 -","4","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.0762","0.0524","","","0.143","0.1619","","","","","","1.032","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205493","12.137","0.005","16.978","0.007","31.818","0.013","92.253","0.006","90.065","0.006","93.959","0.006","6536","5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C129 H200 N4 O37.5 -","- C129 H200 N4 O37.5 -","- C258 H400 N8 O75 -","2","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.1476","0.0914","","","0.2484","0.2927","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205494","29.602","0.008","15.909","0.004","25.228","0.007","90","","97.868","0.004","90","","11769","5","100","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H64 N O27.55 -","- C49 H64 N O27.55 -","- C392 H512 N8 O220.4 -","8","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.7749","","","0.1645","0.1178","","","0.3252","0.3655","","","","","","1.408","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205495","10.2834","0.0002","13.4971","0.0002","19.7289","0.0002","87.661","0.001","79.161","0.001","89.244","0.001","2687.16","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B F24 Mo N3 O3 -","- C54 H32 B F24 Mo N3 O3 -","- C108 H64 B2 F48 Mo2 N6 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0654","0.0508","","","0.1551","0.1695","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205496","9.0225","0.0001","15.1359","0.0001","17.6892","0.0001","90","","90","","90","","2415.7","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Mo N3 O4 -","- C26 H27 Mo N3 O4 -","- C104 H108 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0353","0.0316","","","0.0805","0.0903","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205497","12.4276","0.0002","18.3539","0.0003","25.8077","0.0005","90","","94.526","0.001","90","","5868.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 B F24 Mo N3 O4 -","- C58 H40 B F24 Mo N3 O4 -","- C232 H160 B4 F96 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0886","0.0644","","","0.1916","0.2204","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205498","12.7311","0.0003","14.0298","0.0004","35.9014","0.0008","90","","90","","90","","6412.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 B F24 Mo N5 O3 -","- C63 H48 B F24 Mo N5 O3 -","- C252 H192 B4 F96 Mo4 N20 O12 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.097","0.0567","","","0.1362","0.1792","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205499","19.3433","0.0004","21.3842","0.0004","16.9253","0.0003","90","","97.644","0.001","90","","6938.8","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C248 H192 B4 Cl16 F96 Mo4 N20 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0944","0.0731","","","0.2106","0.2256","","","","","","1.001","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205500","12.8482","0.0003","12.969","0.0003","18.5662","0.0005","98.097","0.002","108.331","0.002","90.332","0.002","2903.26","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H37 B F24 Mo N4 O3 -","- C59 H37 B F24 Mo N4 O3 -","- C118 H74 B2 F48 Mo2 N8 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0621","0.0564","","","0.1556","0.1606","","","","","","1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205501","12.48","0.005","13.029","0.005","21.067","0.005","83.95","0.005","73.541","0.005","86.462","0.005","3265","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 Mo N4 O4 -","- C60 H47 B F24 Mo N4 O4 -","- C120 H94 B2 F48 Mo2 N8 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0942","0.0772","","","0.2232","0.2397","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205502","12.4659","0.001","13.596","0.001","17.4953","0.0013","85.431","0.006","83.001","0.006","81.125","0.006","2902.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 B F24 Mo N2 O4 -","- C55 H35 B F24 Mo N2 O4 -","- C110 H70 B2 F48 Mo2 N4 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.1194","0.0969","","","0.2376","0.2406","","","","","","1.009","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205503","3.9135","0.0014","7.475","0.003","22.656","0.008","90","","95.447","0.007","90","","659.8","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 S2 -","- C14 H10 N4 S2 -","- C28 H20 N8 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C–N covalent bond cross-coupling and N–Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0849","0.0798","","","0.1895","0.1913","","","","","","1.212","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205504","3.8169","0.0014","7.901","0.003","26.283","0.009","90","","96.527","0.006","90","","787.5","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H10 Ag N5 O3 S2 -","- C14 H10 Ag N5 O3 S2 -","- C28 H20 Ag2 N10 O6 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0729","0.0408","","","0.1006","0.1384","","","","","","1.018","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205505","13.731","0.004","8.046","0.003","15.458","0.005","90","","101.94","0.004","90","","1670.8","1","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ag Cl N4 O4 S2 -","- C14 H10 Ag Cl N4 O4 S2 -","- C56 H40 Ag4 Cl4 N16 O16 S8 -","4","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0751","0.0568","","","0.16","0.1698","","","","","","1.007","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205506","8.2588","0.0012","9.6887","0.0014","13.0447","0.0019","71.193","0.002","81.694","0.002","72.739","0.002","942.2","0.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Ag F3 N4 O2 S2 -","- C16 H10 Ag F3 N4 O2 S2 -","- C32 H20 Ag2 F6 N8 O4 S4 -","2","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0592","0.0479","","","0.1421","0.1489","","","","","","1.089","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205507","8.546","0.004","11.661","0.006","10.097","0.005","90","","108.355","0.008","90","","955","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0577","0.0459","","","0.1195","0.1264","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205508","14.3365","0.0018","5.0427","0.0007","12.6153","0.0015","90","","100.28","0.009","90","","897.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0939","0.0616","","","0.1417","0.1566","","","","","","1.147","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205509","10.3591","0.0004","12.9102","0.0004","27.5492","0.0008","90","","90","","90","","3684.4","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0778","0.0434","","","0.0978","0.115","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205510","23.0936","0.0009","7.945","0.0003","15.8799","0.0007","90","","132.487","0.003","90","","2148.59","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0251","0.0248","","","0.0652","0.0655","","","","","","1.106","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205511","8.8647","0.0012","14.487","0.002","14.955","0.002","92.109","0.009","104.197","0.008","99.937","0.008","1827.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H81 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","1","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0695","0.0426","","","0.0862","0.0958","","","","","","1.015","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205512","16.899","0.01","11.673","0.006","18.918","0.011","90","","98.356","0.012","90","","3692","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 N20 O6 -","- C78 H90 Ag2 N20 O6 -","- C156 H180 Ag4 N40 O12 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0645","0.0337","","","0.0726","0.0832","","","","","","1.02","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205513","17.3463","0.0008","11.8598","0.0005","19.225","0.0009","90","","99.584","0.003","90","","3899.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 B2 F8 N18 -","- C78 H90 Ag2 B2 F8 N18 -","- C156 H180 Ag4 B4 F16 N36 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0644","0.0387","","","0.08","0.0891","","","","","","1.01","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205514","20.379","0.003","20.379","","16.588","0.002","90","","90","","90","","6889.1","1.3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H78 Ag2 B2 F8 N14 -","- C70 H78 Ag2 B2 F8 N14 -","- C280 H312 Ag8 B8 F32 N56 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.059","0.0418","","","0.1046","0.1114","","","","","","1.065","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205515","16.3239","0.0018","19.566","0.002","20.852","0.002","90","","90","","90","","6660","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 Ag2 N15 O6 -","- C68 H75 Ag2 N15 O6 -","- C272 H300 Ag8 N60 O24 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0466","0.0423","","","0.1178","0.1218","","","","","","1.068","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205516","19.8931","0.0006","19.8931","0.0006","19.8931","0.0006","90","","90","","90","","7872.4","0.4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C66 H72 Ag2 F12 N12 P2 -","- C66 H72 Ag2 F12.004 N12 P2 -","- C264 H288 Ag8 F48.016 N48 P8 -","4","0.166667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.109","0.0776","","","0.2651","0.3221","","","","","","1.111","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205517","10.0339","0.0008","12.3064","0.0009","17.8158","0.0014","90","","103.88","0.003","90","","2135.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0285","0.0238","","","0.0582","0.061","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205518","15.7432","0.0003","22.136","0.0004","15.9373","0.0003","90","","90.294","0.001","90","","5553.94","0.18","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H82 O9 -","- C62 H82 O9 -","- C248 H328 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1531","0.1723","","","","","","1.051","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205519","15.6344","0.0006","22.1572","0.0007","15.8763","0.0005","90","","91.049","0.002","90","","5498.9","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H84 O9 -","- C62 H84 O9 -","- C248 H336 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0861","0.0524","","","0.15","0.1668","","","","","","1.015","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205520","15.6509","0.0004","25.0523","0.0006","15.9443","0.0004","90","","90.258","0.001","90","","6251.6","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H98 O9 -","- C70 H98 O9 -","- C280 H392 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0758","0.0433","","","0.1126","0.1485","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205521","15.6292","0.0003","23.7075","0.0005","16.6136","0.0004","90","","92.02","0.001","90","","6152","0.2","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H94 O9 -","- C70 H94 O9 -","- C280 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1199","0.0862","","","0.2346","0.2824","","","","","","1.043","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25",""
"7205522","15.9123","0.0011","24.6729","0.0016","16.1465","0.001","90","","90.295","0.004","90","","6339.1","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C74 H94 O9 -","- C74 H94 O9 -","- C296 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1068","0.0713","","","0.2116","0.2327","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205523","15.6436","0.0004","23.5263","0.0005","15.9163","0.0003","90","","91.356","0.001","90","","5856.1","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 O9 -","- C68 H90 O9 -","- C272 H360 O36 -","4","1","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0777","0.0527","","","0.1402","0.1704","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205524","10.298","0.002","6.4096","0.0013","24.68","0.007","90","","108.08","0.03","90","","1548.6","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","","- C15 H12 N4 O8 -","- C15 H12 N4 O8 -","- C60 H48 N16 O32 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Characterization, physicochemical and photo-stability of a co-crystal involving an antibiotic drug, nitrofurantoin, and 4-hydroxybenzoic acid","CrystEngComm","2011","13","3","759","","10.1039/c0ce00772b","","","0.71073","MoKα","","0.0599","0.0552","","","0.1463","0.1546","","","","","","1.134","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205525","14.0455","0.0001","14.0455","0.0001","14.6075","0.0002","90","","90","","90","","2881.71","0.05","273","2","273","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H14 Cu3 N6 O9 -","- C12 H14 Cu3 N6 O9 -","- C48 H56 Cu12 N24 O36 -","4","0.25","","Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao","A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change","CrystEngComm","2011","13","3","768","","10.1039/c0ce00775g","","","0.71073","MoKα","","0.085","0.0469","","","0.1318","0.1406","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205526","17.7892","0.0003","17.7892","0.0003","15.0473","0.0003","90","","90","","90","","4761.8","0.15","173","2","173","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H46 F6 N4 O3 S2 Si Zn -","- C46 H46 F6 N4 O3 S2 Si Zn -","- C184 H184 F24 N16 O12 S8 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0776","0.0663","","","0.1993","0.2118","","","","","","1.064","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205527","19.9188","0.0003","19.9188","0.0003","15.2892","0.0006","90","","90","","90","","6066.1","0.3","173","2","173","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H40 Cl16 F6 N4 Si Zn -","- C52 H40 Cl16 F6 N4 Si Zn -","- C208 H160 Cl64 F24 N16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0862","0.0537","","","0.137","0.17","","","","","","1.065","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205528","23.5058","0.0004","14.3158","0.0004","16.6984","0.0005","90","","119.933","0.002","90","","4869.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N5 O40 P W12 -","- C19 H24 N5 O40 P W12 -","- C76 H96 N20 O160 P4 W48 -","4","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.0434","0.0377","","","0.1027","0.1141","","","","","","1.165","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205529","12.216","0.003","14.035","0.003","12.988","0.003","90","","98.045","0.013","90","","2204.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N3 O40 P W12 -","- C15 H18 N3 O40 P W12 -","- C30 H36 N6 O80 P2 W24 -","2","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.2909","0.1145","","","0.2535","0.3095","","","","","","0.947","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205530","12.8201","0.0012","16.9483","0.0016","14.7822","0.0015","90","","90.024","0.002","90","","3211.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","","- C13 H6 N4 O4 S4 -","- C13 H6 N4 O4 S4 -","- C104 H48 N32 O32 S32 -","8","2","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.1382","0.09","","","0.1645","0.179","","","","","","1.239","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205531","7.5426","0.0007","9.0675","0.0008","13.3535","0.0012","75.171","0.002","76.615","0.002","73.739","0.002","834.88","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene, nitrobenzodithiadiazole","tetrathiafulvalene, nitrobenzodithiadiazole","","- C12 H5 N5 O2 S6 -","- C12 H5 N5 O2 S6 -","- C24 H10 N10 O4 S12 -","2","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0799","0.0531","","","0.1271","0.1406","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205532","9.8632","0.0019","8.1924","0.0016","10.8","0.002","90","","111.484","0.004","90","","812","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,cyano-4,nitrobenzofuroxane","6,cyano-4,nitrobenzofuroxane","","- C7 H2 N4 O4 -","- C7 H2 N4 O4 -","- C28 H8 N16 O16 -","4","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0688","0.0431","","","0.1152","0.1308","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205533","5.8286","0.0002","22.7537","0.0009","19.7775","0.0007","90","","94.418","0.004","90","","2615.14","0.17","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-bis(2',2-bi-5-thienyl)-1,2,4,5-tetrazine","","- C27 H15 N6 S6 -","- C27 H15 N6 S6 -","- C108 H60 N24 S24 -","4","1","","Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam","Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines-a combined experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2011","13","7","2690","2700","10.1039/c0cp01553a","","","0.71073","MoKα","","0.0853","0.0375","","","0.0555","0.0607","","","","","","0.82","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205534","7.7354","0.0011","5.7181","0.0008","13.3641","0.0018","90","","93.737","0.002","90","","589.86","0.14","102","2","102","2","","","","","","","","3","P 1 21 1","P 2yb","4","Naproxen","Naproxen","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","King, Matthew D.; Buchanan, William D.; Korter, Timothy M.","Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.","Physical chemistry chemical physics : PCCP","2011","13","10","4250","4259","10.1039/c0cp01595d","","","0.71073","MoKα","","0.0367","0.0343","","","0.0941","0.0976","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205535","11.809","0.007","24.155","0.013","35.31","0.019","109.785","0.008","95.2","0.008","94.589","0.009","9372","9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C24 H20 K39 O350 P8 Sn4 W76 -","4","2","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0636","0.0486","","","0.1193","0.1265","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205536","11.914","0.005","18.028","0.007","24.593","0.013","109.06","0.008","92.994","0.008","108.872","0.005","4650","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9 O86 P2 Sn W19 -","- C6 H5 K9 O86 P2 Sn W19 -","- C12 H10 K18 O172 P4 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0581","0.0428","","","0.1103","0.1194","","","","","","1.034","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205537","32.678","0.004","14.1708","0.0019","39.662","0.005","90","","94.992","0.002","90","","18297","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C96 H80 K48 O663.92 P16 Rb16 Sn16 W152 -","8","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0747","0.0458","","","0.1331","0.1508","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205538","12.071","0.007","17.845","0.01","24.577","0.013","69.222","0.007","80.827","0.008","70.812","0.008","4669","5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C16 H10 Cu2 K8 N2 O168 P4 Rb8 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0596","0.0432","","","0.1081","0.1155","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205539","9.3778","0.001","10.7852","0.001","11.1818","0.0013","101.718","0.005","114.717","0.004","102.712","0.005","944.94","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 F3 N3 O3 Ru S -","- C18 H16 F3 N3 O3 Ru S -","- C36 H32 F6 N6 O6 Ru2 S2 -","2","1","","Thibault, Michelle E.; DiMondo, Domenico V.; Jennings, Michael; Abdelnur, Patrícia Verardi; Eberlin, Marcos N.; Schlaf, Marcel","Cyclopentadienyl and pentamethylcyclopentadienyl ruthenium complexes as catalysts for the total deoxygenation of 1,2-hexanediol and glycerol","Green Chemistry","2011","13","2","357","","10.1039/c0gc00255k","","","0.71073","MoKα","","0.0574","0.0395","","","0.0854","0.092","","","","","","1.053","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205540","8.5469","0.0001","15.1743","0.0002","20.6543","0.0002","90","","100.479","0.0011","90","","2634.04","0.05","153","1","153","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 O4 P4 Pd2 -","- C50 H46 Cl6 O4 P4 Pd2 -","- C100 H92 Cl12 O8 P8 Pd4 -","2","0.5","","Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg","An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling","Green Chemistry","2011","13","1","169","","10.1039/c0gc00522c","","","0.71073","MoKα","","0.0393","0.032","","","0.0707","0.0773","","","","","","1.084","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205541","17.6026","0.0006","17.6026","0.0006","23.747","0.0009","90","","90","","90","","7358","0.5","123","1","123","1","","","","","","","","6","P 43","P 4cw","78","","","","- C36 H44 Cl2 O2 P2 Pd2 -","- C36 H44 Cl2 O2 P2 Pd2 -","- C288 H352 Cl16 O16 P16 Pd16 -","8","2","","Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg","An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling","Green Chemistry","2011","13","1","169","","10.1039/c0gc00522c","","","0.71073","MoKα","","0.0287","0.0273","","","0.0688","0.0701","","","","","","1.071","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205542","12.284","0.0002","13.229","0.0002","18.391","0.0003","90","","90","","90","","2988.63","0.08","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C13 H24 F3 N O2 -","- C13 H24 F3 N O2 -","- C104 H192 F24 N8 O16 -","8","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","New ionic liquids from azepane and 3-methylpiperidine exhibiting wide electrochemical windows","Green Chemistry","2011","13","1","59","","10.1039/c0gc00534g","","","0.71073","MoKα","","0.0911","0.0789","","","0.2211","0.2428","","","","","","1.062","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205583","12.1042","0.001","12.6256","0.001","15.2007","0.0011","110.722","0.002","111.88","0.002","95.796","0.002","1942.3","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O6 -","- C42 H57 N3 O6 -","- C84 H114 N6 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1291","0.0793","","","0.1976","0.2255","","","","","","1.034","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205584","10.156","0.002","9.334","0.002","8.385","0.002","90","","94.4","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1244","0.0795","","","0.1516","0.1674","","","","","","1.1","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205585","7.4542","0.0013","9.707","0.0016","13.61","0.002","100.688","0.002","96.117","0.003","90.07","0.003","962","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0745","0.0629","","","0.1722","0.179","","","","","","1.097","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205586","8.9392","0.0004","10.5683","0.0005","12.361","0.0006","71.167","0.001","75.904","0.001","67.648","0.001","1012.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0332","0.032","","","0.0866","0.0877","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205587","11.6939","0.0008","10.6964","0.0007","8.8496","0.0006","90","","93.17","0.002","90","","1105.24","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.052","0.0482","","","0.126","0.1294","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205588","8.5009","0.0006","10.6106","0.0007","13.78","0.0009","90","","101.651","0.001","90","","1217.34","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C52 H60 N8 O12 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.061","0.0547","","","0.1652","0.1709","","","","","","1.04","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205589","12.5672","0.0016","8.3029","0.001","8.2837","0.0011","90","","94.708","0.003","90","","861.44","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0529","0.0491","","","0.1222","0.1244","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205590","6.9358","0.0005","7.3424","0.0004","16.7449","0.0009","90.167","0.007","100.702","0.005","116.683","0.002","745.05","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","cinnamic acid 3-nitrobenzamide co-crystal","cinnamic acid 3-nitrobenzamide co-crystal","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.","Electrochemically induced co-crystallization for product removal","CrystEngComm","2011","13","8","2817","","10.1039/c0ce00284d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.202","","","","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205591","9.3699","0.0014","32.679","0.005","10.0882","0.0015","90","","93.835","0.004","90","","3082.1","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate","","- C36 H39 N O5 -","- C36 H39 N O5 -","- C144 H156 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host–guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0603","0.0398","","","0.0785","0.0851","","","","","","1.085","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205592","9.3986","0.001","33.587","0.004","10.0932","0.001","90","","94.981","0.002","90","","3174.1","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0813","0.0469","","","0.0924","0.104","","","","","","1.133","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205593","9.65","0.0012","10.6523","0.0012","29.701","0.004","90","","90","","90","","3053.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host–guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0398","0.032","","","0.0729","0.0767","","","","","","1.097","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205594","9.4536","0.0019","9.946","0.002","17.296","0.004","98.88","0.03","98.57","0.03","91.31","0.03","1587.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C76 H86 N2 O10 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host–guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0285","0.0266","","","0.0659","0.0676","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205595","18.078","0.006","37.848","0.01","15.839","0.005","90","","123.46","0.004","90","","9041","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H35 Cl2 N6 O8 S8 Zn -","- C35.5 H30 Cl2 N6 O8 S8 Zn -","- C284 H240 Cl16 N48 O64 S64 Zn8 -","8","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1216","0.098","","","0.1642","0.1764","","","","","","0.948","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205596","16.611","0.0016","15.9977","0.0015","15.7389","0.0015","90","","90","","90","","4182.4","0.7","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H33 N5 O6 S8 Zn -","- C40 H29 N5 O6 S8 Zn -","- C160 H116 N20 O24 S32 Zn4 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.7107","MoKα","","0.0688","0.0589","","","0.125","0.13","","","","","","1.088","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205597","25.41","0.004","11.2071","0.0015","23.501","0.004","90","","96.552","0.002","90","","6648.7","1.8","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H44 Cl8 N6 O2 S12 Zn3 -","- C50 H36 Cl8 N6 O2 S12 Zn3 -","- C200 H144 Cl32 N24 O8 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1176","0.1033","","","0.1797","0.1862","","","","","","1.185","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205598","25.617","0.005","11.331","0.002","24.005","0.005","90","","94.519","0.003","90","","6946","2","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55.5 H54 Cl6 N6 O1.5 S12 Zn3 -","- C55.5 H28 Cl6 N6 O1.5 S12 Zn3 -","- C222 H112 Cl24 N24 O6 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1267","0.1003","","","0.2698","0.2934","","","","","","1.153","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205599","9.982","0.005","14.264","0.006","14.747","0.007","90","","101.191","0.007","90","","2059.8","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 Cl2 N4 O8 S8 Zn -","- C36 H32 Cl2 N4 O8 S8 Zn -","- C72 H64 Cl4 N8 O16 S16 Zn2 -","2","0.5","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1106","0.0782","","","0.153","0.1708","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205600","8.6798","0.0007","9.9988","0.0008","13.7746","0.001","99.506","0.001","101.962","0.001","101.479","0.001","1119.24","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.028","0.027","","","0.064","0.0645","","","","","","1.165","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205601","8.697","0.0005","9.7684","0.0006","13.5891","0.0008","98.38","0.001","101.463","0.001","103.397","0.001","1078.16","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0291","0.0275","","","0.0692","0.0701","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205602","8.8539","0.0014","9.3957","0.0015","12.052","0.0019","92.737","0.002","102.777","0.002","102.993","0.002","947.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0637","0.055","","","0.1371","0.1424","","","","","","1.156","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205603","8.5514","0.0007","9.6731","0.0008","11.5283","0.0009","94.175","0.001","93.696","0.001","107.143","0.001","905.12","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0642","0.0611","","","0.1576","0.1608","","","","","","1.077","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205604","9.054","0.01","10.406","0.011","10.574","0.011","69.008","0.016","77.512","0.017","82.171","0.017","906.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C19 H23 Ag N4 O2 -","- C19 H23 Ag N4 O2 -","- C38 H46 Ag2 N8 O4 -","2","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0738","0.064","","","0.1598","0.1653","","","","","","1.087","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205605","7.629","0.0015","18.696","0.004","13.297","0.003","90","","114.05","0.03","90","","1731.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C17 H20 Ag Cl N4 -","- C17 H20 Ag Cl N4 -","- C68 H80 Ag4 Cl4 N16 -","4","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0651","0.0511","","","0.1155","0.1227","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205606","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205607","7.2854","0.0004","8.0045","0.0005","9.6698","0.0006","79.485","0.001","72.238","0.001","87.275","0.001","527.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glycine hydrogen peroxide sesquisolvate","glycine hydrogen peroxide sesquisolvate","","- C4 H16 N2 O10 -","- C4 H16 N2 O10 -","- C8 H32 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0315","0.0291","","","0.0812","0.0828","","","","","","1.048","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205608","8.0479","0.0014","9.6064","0.0017","9.7464","0.0017","81.813","0.003","81.415","0.002","88.676","0.003","737.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2-aminobutyric acid hydrogen peroxide sesquisolvate","2-aminobutyric acid hydrogen peroxide sesquisolvate","","- C8 H24 N2 O10 -","- C8 H24 N2 O10 -","- C16 H48 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0908","0.094","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205609","10.0728","0.0007","7.394","0.0006","12.194","0.0007","90","","91.839","0.003","90","","907.72","0.11","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","","- C6 H16 N O4.5 -","- C6 H16 N O4.5 -","- C24 H64 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0351","0.0295","","","0.0671","0.0691","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205610","10.0268","0.0016","7.2283","0.0012","14.15","0.002","90","","92.78","0.003","90","","1024.3","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0364","0.0315","","","0.0788","0.0809","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205611","6.129","0.003","6.387","0.003","17.177","0.007","90","","90","","90","","672.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0382","0.0372","","","0.092","0.0928","","","","","","1.179","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205612","8.7005","0.0019","5.9331","0.0013","10.929","0.002","90","","94.65","0.004","90","","562.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0481","0.0419","","","0.0951","0.0982","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205613","6.8875","0.0011","9.5679","0.0016","10.576","0.0018","90","","101.842","0.002","90","","682.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-aminopropanoic acid hydrogen peroxide disolvate","3-aminopropanoic acid hydrogen peroxide disolvate","","- C3 H11 N O6 -","- C3 H11 N O6 -","- C12 H44 N4 O24 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0759","0.0772","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205614","9.906","0.003","7.645","0.002","11.427","0.003","90","","98.162","0.004","90","","856.6","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C24 H60 N4 O16 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0276","0.027","","","0.0725","0.0728","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205615","9.868","0.002","6.089","0.001","12.466","0.002","90","","108.14","0.03","90","","711.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoquinolinone","Isoquinolin-3(2H)-one","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0816","0.0661","","","0.1917","0.2018","","","","","","1.113","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205616","7.102","0.006","7.909","0.006","9.35","0.005","97.37","0.03","95.76","0.03","101.14","0.03","506.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.112","0.0482","","","0.1205","0.1451","","","","","","0.817","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205617","14.166","0.003","9.432","0.002","20.139","0.004","90","","91.88","0.02","90","","2689.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one).HOAc","","- C35 H29 N2 O5 -","- C34 H25 N2 O3.5 -","- C136 H100 N8 O14 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1034","0.0593","","","0.1505","0.1667","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205618","27.1065","0.0012","9.2347","0.0004","16.4901","0.0008","90","","115.402","0.001","90","","3728.7","0.3","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0717","0.0416","","","0.0984","0.1164","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205619","26.761","0.008","9.111","0.003","16.998","0.006","90","","114.443","0.009","90","","3773","2","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol: 2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.2198","0.0879","","","0.2394","0.3502","","","","","","0.926","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205620","25.4736","0.0009","8.5626","0.0003","16.9318","0.0006","90","","90","","90","","3693.2","0.2","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0716","0.042","","","0.1009","0.1214","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205621","25.479","0.003","8.1154","0.0008","17.987","0.002","90","","90","","90","","3719.2","0.7","286","2","286","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1681","0.0901","","","0.2565","0.3356","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205622","13.372","0.003","7.167","0.001","28.248","0.006","90","","108.79","0.03","90","","2562.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,2,4,5-tetracarboxylic acid:2(Isoquinolin-3(2H)-one),H2O","","- C28 H28 N2 O11 -","- C28 H28 N2 O11 -","- C112 H112 N8 O44 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.113","0.0501","","","0.1242","0.1428","","","","","","0.925","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205623","5.728","0.001","22.789","0.004","11.111","0.002","90","","116.9","0.03","90","","1293.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-benzenediol:Isoquinolin-3(2H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1014","0.0511","","","0.1478","0.1748","","","","","","0.847","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205624","20.0585","0.0004","9.71812","0.00017","13.84077","0.00026","90","","90","","90","","2697.99","0.09","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko","Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis","CrystEngComm","2011","13","9","3197","","10.1039/c0ce00500b","powder diffraction","x-ray","1.19751","","","","","","","","","0.0957","","4.53","","","","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205625","7.9787","0.0002","8.0272","0.0002","15.4271","0.0005","92.228","0.002","97.055","0.002","119.405","0.001","848.61","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","orange polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","1","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0405","0.0345","","","0.0885","0.0977","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205626","7.986","0.0002","7.0973","0.0002","15.2269","0.0004","90","","100.144","0.001","90","","849.56","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","yellow polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0254","0.0253","","","0.0671","0.0672","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205627","7.5043","0.0007","7.8779","0.0007","8.3841","0.0007","83.864","0.006","79.848","0.007","61.879","0.006","430.14","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C24 H14 O4 -","1","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.115","0.0579","","","0.133","0.1619","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205628","14.4679","0.0009","15.7447","0.0007","15.7561","0.0009","99.217","0.003","108.401","0.002","112.951","0.002","2966.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 N6 O20 S4 -","- C64 H56 N6 O20 S4 -","- C128 H112 N12 O40 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1381","0.0857","","","0.1791","0.2002","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205629","16.5101","0.0005","17.2117","0.0008","18.3538","0.0009","98.677","0.002","115.325","0.002","105.537","0.002","4325.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 N9 O32.8 S4 -","- C82 H62.5 N9 O32.862 S4 -","- C164 H125 N18 O65.724 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1465","0.1051","","","0.2304","0.2496","","","","","","1.13","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205630","15.7679","0.0004","19.3917","0.0004","20.0469","0.0007","67.989","0.002","68.407","0.001","73.523","0.001","5208","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H76.54 N12 O34.01 S4 -","- C100 H76.535 N12 O34.012 S4 -","- C200 H153.07 N24 O68.024 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1193","0.1015","","","0.2637","0.2752","","","","","","1.091","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205631","14.959","0.0003","17.5","0.0005","24.004","0.0007","71.799","0.002","85.778","0.002","71.804","0.001","5668.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H111 Al N8 O56.95 S8 -","- C104 H111 Al N8 O56.948 S8 -","- C208 H222 Al2 N16 O113.896 S16 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1247","0.0798","","","0.1715","0.1909","","","","","","1.029","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205632","7.102","0.0002","8.033","0.0002","11.9154","0.0003","95.252","0.001","104.65","0.001","99.577","0.001","642.12","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 N O6 S -","- C12 H13 N O6 S -","- C24 H26 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0282","0.0268","","","0.0706","0.0801","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205633","7.075","0.0003","8.3144","0.0004","11.1366","0.0005","94.937","0.003","102.315","0.003","102.312","0.003","619.34","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0871","0.0543","","","0.1215","0.1391","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205634","11.6327","0.0019","11.6594","0.0019","11.861","0.002","71.091","0.003","77.13","0.003","85.864","0.003","1483.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu Mo4 N12 O15 -","- C14 H24 Cu Mo4 N12 O15 -","- C28 H48 Cu2 Mo8 N24 O30 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0948","0.0721","","","0.1744","0.1861","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205635","10.697","0.0011","14.3444","0.0015","17.8853","0.0019","90","","91.635","0.002","90","","2743.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cu2 Mo8 N18 O31 -","- C24 H46 Cu2 Mo8 N18 O31 -","- C48 H92 Cu4 Mo16 N36 O62 -","2","0.5","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.054","0.0395","","","0.0898","0.0951","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205636","12.4369","0.0016","12.8417","0.0016","13.2691","0.0017","99.98","0.002","105.142","0.002","111.649","0.002","1813.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cu Mo4 N12 O14 -","- C20 H34 Cu Mo4 N12 O14 -","- C40 H68 Cu2 Mo8 N24 O28 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0599","0.0506","","","0.1228","0.1275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205637","13.82","0.008","12.922","0.008","17.143","0.01","90","","112.83","0.008","90","","2822","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5 lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34.03 H25 N O7.01 -","- C136.12 H100 N4 O28.04 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.1676","0.1191","","","0.3655","0.4166","","","","","","1.426","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205638","13.895","0.0007","11.6523","0.0006","21.2968","0.0011","90","","102.131","0.001","90","","3371.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3 lutidine pamoate DMF solvate","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0529","0.0401","","","0.1024","0.1118","","","","","","1.058","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205639","13.9767","0.0012","12.6966","0.0011","16.7676","0.0015","90","","108.773","0.001","90","","2817.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0713","0.0443","","","0.1127","0.1265","","","","","","0.953","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205640","13.794","0.003","13.334","0.003","16.615","0.003","90","","110.507","0.003","90","","2862.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0877","0.0525","","","0.135","0.1589","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205641","13.8721","0.0011","12.9708","0.001","16.9195","0.0014","90","","111.337","0.001","90","","2835.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0574","0.0438","","","0.1149","0.1254","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205642","13.661","0.0019","13.7621","0.0019","16.906","0.002","90","","112.929","0.002","90","","2927.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0838","0.0597","","","0.1615","0.1812","","","","","","1.071","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205643","7.6968","0.0008","9.0998","0.0009","21.112","0.002","82.041","0.001","86.546","0.001","79.883","0.001","1440.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C70 H68 N4 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0536","0.0471","","","0.1216","0.1285","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205644","7.637","0.0006","10.423","0.0008","20.033","0.0016","89.292","0.001","85.445","0.001","74.644","0.001","1532.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0499","0.0417","","","0.1175","0.1225","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205645","14.4128","0.0007","24.7372","0.0011","16.132","0.0007","90","","91.63","0.001","90","","5749.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pamoic acid NMP solvate","","","- C33 H34 N2 O8 -","- C33 H34 N2 O8 -","- C264 H272 N16 O64 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0719","0.0404","","","0.0796","0.0918","","","","","","0.905","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205646","7.6795","0.0014","10.384","0.002","20.335","0.004","88.829","0.002","83.31","0.002","74.932","0.002","1555.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0537","0.0446","","","0.1325","0.1384","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205647","26.404","0.002","4.7782","0.0004","24.059","0.002","90","","115.175","0.002","90","","2747","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(2-picoline) pamoaic acid co-crystal","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0532","0.0401","","","0.097","0.1064","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205648","9.5321","0.0009","10.0301","0.001","14.9869","0.0015","81.54","0.001","87.445","0.001","87.28","0.001","1414.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(3-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C70 H60 N4 O12 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0455","0.0372","","","0.0957","0.1025","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205649","13.8694","0.0011","12.7194","0.001","16.5587","0.0013","90","","111.16","0.001","90","","2724.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate THF solvate","","","- C33 H31 N O7 -","- C33 H31 N O7 -","- C132 H124 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0568","0.0421","","","0.1081","0.1188","","","","","","1.048","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205650","12.3324","0.0014","12.9301","0.0015","18.078","0.002","90","","99.542","0.002","90","","2842.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(4-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0497","0.038","","","0.0959","0.1031","","","","","","1.067","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205651","14.108","0.002","11.5703","0.0018","21.107","0.003","90","","101.733","0.002","90","","3373.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-picolinium) pamoate 3-picoline co-crystal","","","- C41 H37 N3 O6 -","- C41 H37 N3 O6 -","- C164 H148 N12 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0584","0.0402","","","0.0948","0.1059","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205652","8.897","0.0009","13.7462","0.0013","21.261","0.002","90","","95.519","0.001","90","","2588.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethylammonium pamoate DMF solvate","","","- C28 H30 N2 O7 -","- C28 H30 N2 O7 -","- C112 H120 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0788","0.0468","","","0.1034","0.1222","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205653","14.536","0.003","5.2295","0.0005","6.4483","0.0008","90","","100.415","0.013","90","","482.1","0.13","294","","294","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H5 Ca0.5 O2 -","- C4 H5 Ca0.5 O2 -","- C16 H20 Ca2 O8 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.0455","0.0333","","0.0594","0.042","0.042","","","","","","1.0087","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205654","17.0609","0.001","8.1048","0.001","9.1311","0.001","90","","101.23","0.01","90","","1238.4","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Mg O7 -","- C8 H16 Mg O7 -","- C32 H64 Mg4 O28 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.1648","0.0478","","0.0855","0.0351","0.0351","","","","","","1.1799","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7205655","10.8413","0.0004","10.7317","0.0003","12.404","0.0004","90","","112.033","0.004","90","","1337.75","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 N4 O12 -","- C32 H16 N4 O12 -","- C64 H32 N8 O24 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","1.54184","CuKα","","0.0622","0.0388","","","0.0924","0.104","","","","","","0.833","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205656","11.982","0.003","21.272","0.006","12.948","0.003","90","","110.586","0.003","90","","3089.5","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","DMF","","","- C35 H23 N5 O13 -","- C35 H23 N5 O13 -","- C140 H92 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0456","0.0392","","","0.105","0.1094","","","","","","1.051","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205657","11.918","0.003","21.169","0.005","13.55","0.003","90","","110.775","0.002","90","","3196.3","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H25 N5 O13 -","- C36 H25 N5 O13 -","- C144 H100 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0537","0.0526","","","0.1573","0.1582","","","","","","1.099","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205658","12.2118","0.0013","21.065","0.002","13.1639","0.0015","90","","110.508","0.002","90","","3171.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C74 H50 N10 O26 -","- C74 H50 N10 O26 -","- C148 H100 N20 O52 -","2","0.5","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0605","0.0462","","","0.1005","0.1068","","","","","","1.05","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205659","11.6967","0.0012","13.138","0.0013","13.3989","0.0013","92.294","0.001","96.576","0.001","112.537","0.001","1881.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Nitrobenzene solvate","","","- C44 H26 N6 O16 -","- C44 H26 N6 O16 -","- C88 H52 N12 O32 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0383","0.0336","","","0.0852","0.0892","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205660","32.461","0.012","18.024","0.006","19.748","0.007","90","","119.964","0.009","90","","10010","6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H10 Cu2 N2 O14 -","- C30 H10 Cu2 N2 O14 -","- C180 H60 Cu12 N12 O84 -","6","0.75","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.1634","0.0819","","","0.1423","0.1568","","","","","","0.951","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205661","15.2248","0.0003","36.4392","0.0007","10.3036","0.0002","90","","90","","90","","5716.23","0.19","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C38 H28 Cu2 N4 O14 -","- C38 H28 Cu2 N4 O14 -","- C152 H112 Cu8 N16 O56 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","1.54178","CuKα","","0.0452","0.0375","","","0.1018","0.1057","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205662","14.981","0.002","36.371","0.005","10.922","0.002","90","","90","","90","","5951.1","1.6","183","2","183","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C44 H28 Cu2 N4 O12 -","- C44 H28 Cu2 N4 O12 -","- C176 H112 Cu8 N16 O48 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.0491","0.0429","","","0.1238","0.1285","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205663","4.9179","0.0005","5.4897","0.0007","9.5322","0.0011","92.426","0.009","102.087","0.009","94.81","0.009","250.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0629","0.0375","","","","0.0737","","","","","","0.804","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205664","4.9168","0.0005","5.4373","0.0005","14.7869","0.0014","81.199","0.008","83.738","0.008","88.135","0.008","388.28","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0918","0.0568","","","","0.1808","","","","","","0.826","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205665","11.4966","0.0004","5.1521","0.0002","17.0937","0.0006","90","","96.315","0.003","90","","1006.34","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C32 H40 N8 O24 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.084","0.0491","","","","0.105","","","","","","0.973","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205666","4.9819","0.0005","5.3114","0.0007","14.748","0.002","89.543","0.012","86.238","0.01","84.973","0.01","387.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0715","0.0419","","","","0.1169","","","","","","0.788","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205667","9.41","0.001","13.033","0.001","15.183","0.002","90","","103.112","0.009","90","","1813.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43 N3 O8 S -","- C41 H43 N3 O8 S -","- C82 H86 N6 O16 S2 -","2","1","","Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia","Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution","CrystEngComm","2011","13","7","2310","","10.1039/c0ce00595a","","","0.71073","MoKα","","0.0671","0.041","","","0.0763","0.0834","","","","","","0.84","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205668","6.2214","0.0005","8.6255","0.0006","26.3909","0.0018","90","","93.039","0.004","90","","1414.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F6 N2 O3 P -","- C10 H13 F6 N2 O3 P -","- C40 H52 F24 N8 O12 P4 -","4","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0347","0.0297","","","0.0871","0.1008","","","","","","1.14","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205669","5.9302","0.0004","8.368","0.0006","26.0876","0.0017","89.168","0.004","87.153","0.004","87.763","0.004","1291.88","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 B F4 N2 O3 -","- C10 H13 B F4 N2 O3 -","- C40 H52 B4 F16 N8 O12 -","4","2","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0769","0.0601","","","0.173","0.191","","","","","","1.057","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205670","10.812","0.002","11.241","0.002","13.008","0.002","88.651","0.004","86.423","0.004","73.822","0.004","1515.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F6 N4 O12 S2 -","- C22 H26 F6 N4 O12 S2 -","- C44 H52 F12 N8 O24 S4 -","2","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0701","0.0625","","","0.1924","0.1991","","","","","","1.128","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205671","30.056","0.006","5.1055","0.0009","20.239","0.004","90","","129.083","0.003","90","","2410.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Br N2 O3.5 -","- C10 H14 Br N2 O3.5 -","- C80 H112 Br8 N16 O28 -","8","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0424","0.0337","","","0.0817","0.088","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205672","12.873","0.002","15.947","0.003","16.881","0.003","90","","90.206","0.005","90","","3465.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).(phloroglucinol).4(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol).4(H2O)","","- C36 H38 N4 O9 -","- C36 H30 N4 O9 -","- C144 H120 N16 O36 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1038","0.0637","","","0.1806","0.1999","","","","","","1.221","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205673","19.3013","0.0016","15.3054","0.0013","28.1176","0.0019","90","","122.935","0.004","90","","6971.4","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).3(phloroglucinol).4(H2O)","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).3(phloroglucinol).4(H2O)","","- C78 H74 N8 O17 -","- C78 H66 N8 O17 -","- C312 H264 N32 O68 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1256","0.0592","","","0.1616","0.1901","","","","","","1.018","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205674","8.6268","0.0009","9.6019","0.001","12.1252","0.0013","76.149","0.003","88.03","0.003","67.701","0.003","900.46","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.0617","0.0408","","","0.1282","0.1416","","","","","","0.978","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205675","12.091","0.002","14.993","0.003","22.115","0.004","90","","97.25","0.005","90","","3977","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).2(methoxyresorcinol).(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).2(methoxyresorcinol).(H2O)","","- C22 H21 N2 O4.25 -","- C22 H20 N2 O4 -","- C176 H160 N16 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1168","0.0808","","","0.2041","0.2245","","","","","","1.364","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205676","15.178","0.005","6.09","0.002","26.47","0.008","90","","102.28","0.01","90","","2390.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1758","0.0761","","","0.1718","0.2028","","","","","","0.966","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205677","3.787","0.003","7.549","0.005","11.992","0.008","74.198","0.008","88.428","0.007","85.816","0.007","329","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","1","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.6998","","","0.1625","0.1111","","","0.2526","0.2743","","","","","","1.168","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205678","7.5585","0.0004","27.376","0.0013","8.7184","0.0004","90","","115.492","0.002","90","","1628.39","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0191","0.0176","","","0.0415","0.042","","","","","","1.056","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205679","7.578","0.0015","27.411","0.006","8.7224","0.0017","90","","115.57","0.03","90","","1634.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0361","0.0286","","","0.0672","0.0695","","","","","","1.042","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205680","16.263","0.003","7.3876","0.0015","13.645","0.003","90","","99.33","0.03","90","","1617.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0267","0.0238","","","0.0643","0.0654","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205681","22.841","0.003","22.841","0.003","15.503","0.003","90","","90","","90","","8088","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H57 Co Mo8 N16 O42 P V6 -","- C56 H56 Co Mo8 N16 O42 P V6 -","- C224 H224 Co4 Mo32 N64 O168 P4 V24 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0358","0.0293","","","0.0779","0.0811","","","","","","1.061","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205682","11.467","0.002","12.372","0.003","16.851","0.003","70.23","0.03","81.19","0.03","88.27","0.03","2222.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","1","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0703","0.0478","","","0.1225","0.1408","","","","","","1.088","","","","has coordinates","291143","2024-04-09","08:49:14",""
"7205683","12.578","0.003","15.148","0.003","16.389","0.003","95.96","0.03","110.13","0.03","102.95","0.03","2800.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Cd Mo6 N8 O38 P4 -","- C28 H28 Cd Mo6 N8 O38 P4 -","- C56 H56 Cd2 Mo12 N16 O76 P8 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.1406","0.0789","","","0.167","0.2061","","","","","","1.058","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205684","17.11","0.002","17.11","0.002","10.74","0.002","90","","90","","90","","3144.2","0.8","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H30 Co3 Mo4 N6 O28 P4 -","- C6 Co3 Mo4 N6 O28 P4 -","- C24 Co12 Mo16 N24 O112 P16 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0408","0.0358","","","0.0927","0.0951","","","","","","1.144","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205685","6.9147","0.0005","36.1972","0.0011","9.4766","0.0008","90","","92.126","0.003","90","","2370.3","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","2","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach","CrystEngComm","2011","13","9","3213","","10.1039/c0ce00657b","","","0.71073","MoKα","","0.0749","0.0748","","0.0816","0.0806","0.0806","","","","","","0.94","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205686","12.4485","0.0007","12.3314","0.0006","17.4418","0.0009","90","","94.389","0.001","90","","2669.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd N4 O4 -","- C28 H28 Cd N4 O4 -","- C112 H112 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.067","0.0462","","","0.114","0.1266","","","","","","1.035","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205687","12.5219","0.0007","12.2292","0.0007","17.7853","0.001","90","","96.421","0.001","90","","2706.4","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cd N4 O4 -","- C30 H32 Cd N4 O4 -","- C120 H128 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.083","0.0485","","","0.1086","0.1239","","","","","","1.022","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205688","8.7713","0.0008","18.1647","0.0016","15.8994","0.0014","90","","90.0041","","90","","2533.2","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 N5 O10 Zn2 -","- C49 H41 N5 O9.4 Zn2 -","- C98 H82 N10 O18.8 Zn4 -","2","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0693","0.0528","","","0.148","0.1609","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205689","15.3836","0.0007","21.5307","0.001","15.7987","0.0007","90","","96.401","0.001","90","","5200.2","0.4","185","2","185","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C50.75 H43.75 N4.25 O8.25 Zn2 -","- C50.75 H42 N4.25 O8.26 Zn2 -","- C203 H168 N17 O33.04 Zn8 -","4","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0643","0.0511","","","0.1763","0.1861","","","","","","1.138","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205690","15.9388","0.0011","28.52","0.002","16.1837","0.0011","90","","105.714","0.001","90","","7081.7","0.8","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cd2 N9 O10 -","- C61 H44 Cd2 N9 O10 -","- C244 H176 Cd8 N36 O40 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.1599","0.0812","","","0.2564","0.3021","","","","","","1.062","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205691","14.7266","0.0006","7.6637","0.0003","16.2667","0.0007","90","","105.323","0.004","90","","1770.6","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 S -","- C8 H11 N3 S -","- C64 H88 N24 S8 -","8","2","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.7107","MoKα","","0.062","0.0531","","","0.1373","0.1486","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205692","10.6285","0.0004","9.7517","0.0004","12.8232","0.0005","90","","109.712","0.001","90","","1251.19","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N3 S -","- C11 H17 N3 S -","- C44 H68 N12 S4 -","4","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0494","0.0373","","","0.0922","0.0982","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205693","9.5098","0.0005","9.5098","0.0005","10.8333","0.0007","90","","90","","90","","979.72","0.1","200","","200","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C24 H56 N16 S8 -","4","","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0296","","","0.0625","0.0685","","","","","","0.921","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205694","18.0632","0.0008","7.5649","0.0003","19.4089","0.0008","90","","116.084","0.001","90","","2382.03","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 S2 -","- C10 H14 N4 S2 -","- C80 H112 N32 S16 -","8","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0366","0.0296","","","0.0735","0.0769","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205695","9.4599","0.0006","9.5946","0.0006","11.0971","0.0007","78.984","0.001","66.485","0.001","65.045","0.001","837.03","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C28 H44 N8 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0531","0.0392","","","0.0918","0.0986","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205696","5.798","0.002","9.447","0.004","11.167","0.004","87.646","0.007","75.043","0.006","75.422","0.006","571.7","0.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N5 S2 -","- C9 H13 N5 S2 -","- C18 H26 N10 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0592","0.045","","","0.1149","0.1207","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205697","19.249","0.004","7.6441","0.0015","26.522","0.005","90","","90","","90","","3902.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 Mn2 N8 O16 -","- C38 H26 Mn2 N8 O16 -","- C152 H104 Mn8 N32 O64 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0674","0.0508","","","0.1018","0.1086","","","","","","1.04","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205698","12.405","0.003","14.088","0.003","15.765","0.003","63.53","0.03","72.82","0.03","68.38","0.03","2264.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 Co2 N10 O18 -","- C43 H37 Co2 N10 O18 -","- C86 H74 Co4 N20 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0967","0.0619","","","0.1423","0.1609","","","","","","1.026","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205699","12.7703","0.0007","14.1255","0.0008","15.8443","0.0009","116.321","0.003","90.408","0.004","111.164","0.003","2340.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 N10 Ni2 O18 -","- C43 H33 N10 Ni2 O18 -","- C86 H66 N20 Ni4 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1323","0.0658","","","0.1673","0.1989","","","","","","0.936","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205700","8.2565","0.0017","10.422","0.002","23.99","0.005","90","","96.68","0.03","90","","2050.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu3 N8 O18 -","- C38 H28 Cu3 N8 O18 -","- C76 H56 Cu6 N16 O36 -","2","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0937","0.0603","","","0.1484","0.164","","","","","","1.034","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205701","19.237","0.004","7.5997","0.0015","26.035","0.005","90","","90","","90","","3806.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 N8 O16 Zn2 -","- C38 H26 N8 O16 Zn2 -","- C152 H104 N32 O64 Zn8 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0715","0.0476","","","0.0941","0.1019","","","","","","1.037","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205702","7.7464","0.0005","10.6554","0.0008","25.6955","0.0019","88.419","0.004","88.034","0.004","77.623","0.004","2070","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cd2 N8 O17 -","- C38 H24 Cd2 N7.65 O16.3 -","- C76 H48 Cd4 N15.3 O32.6 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1393","0.0649","","","0.137","0.1642","","","","","","0.912","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205703","8.792","0.005","21.509","0.012","7.436","0.004","90","","103.882","0.007","90","","1365.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H14 Cu I S2 -","- C10 H14 Cu I S2 -","- C40 H56 Cu4 I4 S8 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0649","0.0516","","","0.1233","0.1266","","","","","","1.05","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205704","11.1804","0.0009","17.3956","0.0014","25.706","0.002","107.456","0.001","90.016","0.002","95.251","0.001","4747.3","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Cu12 I12 S12 -","- C60 H84 Cu12 I12 S12 -","- C120 H168 Cu24 I24 S24 -","2","1","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0804","0.0597","","","0.1428","0.1489","","","","","","1.023","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205705","24.998","0.006","8.734","0.002","22.402","0.006","90","","101.507","0.002","90","","4793","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 Cu2 I2 N O S4 -","- C38 H49 Cu2 I2 N O S4 -","- C152 H196 Cu8 I8 N4 O4 S16 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0701","0.0492","","","0.1013","0.1047","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205706","16.665","0.0005","16.665","0.0005","57.781","0.008","90","","90","","120","","13897","2","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C27 H35 Cu4 I4 O S3 -","- C27 H34.98 Cu4 I4 O S3 -","- C324 H419.76 Cu48 I48 O12 S36 -","12","0.333333","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0775","0.0481","","","0.1161","0.1226","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205707","14.33","0.005","13.962","0.005","17.424","0.006","90","","98.347","0.004","90","","3449","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O5 P Zn1.5 -","- C17 H12 N2 O5 P Zn1.5 -","- C136 H96 N16 O40 P8 Zn12 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0344","0.0276","","","0.0685","0.0708","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205708","17.804","0.006","19.34","0.012","10.242","0.007","90","","119.51","0.05","90","","3069","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9.5 N0.5 O5.5 P Zn -","- C8 H8 N0.5 O5.5 P Zn -","- C64 H64 N4 O44 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0817","0.0695","","","0.1991","0.2115","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205709","18.372","0.008","19.143","0.008","10.534","0.005","90","","124.353","0.01","90","","3059","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H19.5 N1.5 O7.5 P Zn -","- C10.5 H16 N1.5 O7.5 P Zn -","- C84 H128 N12 O60 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0537","0.0408","","","0.1098","0.1204","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205710","6.3597","0.0002","8.6865","0.0002","11.2216","0.0003","69.182","0.001","89.501","0.001","81.866","0.001","573.04","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.052","0.0368","","","0.0893","0.1017","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205711","9.3792","0.0001","13.262","0.0002","20.959","0.0004","74.809","0.001","88.358","0.001","78.396","0.001","2463.71","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","acridine:tetrafluoro-1,2-diiodobenzene 7/4","acridine:tetrafluoro-1,2-diiodobenzene 7/4","","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0829","0.0438","","","0.0805","0.0923","","","","","","1.013","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205712","14.3077","0.0003","7.6892","0.0002","20.0916","0.0004","90","","125.881","0.001","90","","1790.92","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0766","0.0412","","","0.104","0.1259","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205713","15.8642","0.0002","8.3329","0.0001","18.4437","0.0003","90","","106.542","0.001","90","","2337.25","0.06","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","","- C24 H15 F4 I2 O P -","- C24 H15 F4 I2 O P -","- C96 H60 F16 I8 O4 P4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0694","0.0381","","","0.0709","0.0801","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205714","10.9742","0.0003","11.196","0.0003","32.3795","0.0009","90","","90","","90","","3978.38","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Fabrication of nanoporous material from a hydrophobic peptide","CrystEngComm","2011","13","8","3064","","10.1039/c0ce00701c","","","0.71073","MoKα","","0.1031","0.0474","","","0.1447","0.2078","","","","","","0.814","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205715","8.597","0.0008","9.2441","0.0009","11.8821","0.0012","103.269","0.002","102.055","0.002","95.831","0.002","887.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0854","0.066","","","0.2278","0.233","","","","","","1.076","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205716","21.6393","0.0006","13.1753","0.0003","12.3516","0.0003","90","","92.557","0.001","90","","3517.99","0.15","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 Co N14 O2 S2 -","- C29 H28 Cl2 Co N14 O2 S2 -","- C116 H112 Cl8 Co4 N56 O8 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0705","0.0631","","","0.1964","0.2066","","","","","","1.12","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205717","22.065","0.005","13.166","0.003","12.255","0.002","90","","92.379","0.005","90","","3557.1","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N14 Ni S2 -","- C26 H28 N14 Ni S2 -","- C104 H112 N56 Ni4 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0916","0.0577","","","0.1611","0.1776","","","","","","0.954","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205718","8.2524","0.0003","9.4588","0.0003","13.392","0.0004","94.799","0.001","102.386","0.001","109.501","0.001","948.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0523","0.039","","","0.1124","0.1171","","","","","","0.686","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205719","8.718","0.0002","10.228","0.0002","13.392","0.0003","107.593","0.001","95.645","0.001","111.992","0.001","1024.78","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0395","0.0319","","","0.0849","0.1078","","","","","","1.231","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205720","10.3434","0.0002","10.5131","0.0002","13.7616","0.0004","85.273","0.001","73.301","0.001","67.728","0.001","1325.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0414","0.0355","","","0.099","0.1056","","","","","","0.98","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205721","7.4983","0.0015","8.6759","0.0017","9.793","0.002","82.62","0.03","67.51","0.03","84.25","0.03","582.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0516","0.0347","","","0.0713","0.0748","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205722","6.2301","0.0012","8.6277","0.0017","8.961","0.0018","110.7","0.03","110.27","0.03","91.49","0.03","416.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0164","0.0155","","","0.035","0.0352","","","","","","1.111","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205723","6.2071","0.0008","8.5862","0.0018","8.8891","0.0011","110.938","0.002","110.025","0.002","91.761","0.002","409.34","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0295","0.0267","","","0.0658","0.0674","","","","","","1.12","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205724","6.1931","0.0012","8.5776","0.0017","8.8684","0.0018","111.03","0.03","109.97","0.03","91.82","0.03","406.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0179","0.0173","","","0.0445","0.0447","","","","","","1.237","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205725","18.833","0.003","7.7766","0.0012","14.755","0.002","90","","113.696","0.002","90","","1978.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O17 Tb2 -","- C15 H16 O17 Tb2 -","- C60 H64 O68 Tb8 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0287","0.0232","","","0.0477","0.0495","","","","","","1.054","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205726","18.805","0.004","7.7577","0.0016","14.724","0.003","90","","113.7","0.03","90","","1966.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Dy2 O17 -","- C15 H16 Dy2 O17 -","- C60 H64 Dy8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0192","0.0175","","","0.0377","0.0382","","","","","","1.083","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205727","18.7825","0.0018","7.7434","0.0008","14.6995","0.0014","90","","113.777","0.001","90","","1956.4","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Ho2 O17 -","- C15 H16 Ho2 O17 -","- C60 H64 Ho8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0211","0.0187","","","0.0412","0.0421","","","","","","1.073","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205728","7.774","0.001","7.2219","0.001","17.336","0.002","90","","91.54","0.002","90","","972.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O14 Tb2 -","- C16 H14 O14 Tb2 -","- C32 H28 O28 Tb4 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0222","0.0187","","","0.0409","0.0422","","","","","","1.046","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205729","7.7489","0.0008","7.1601","0.0007","17.294","0.0018","90","","91.165","0.001","90","","959.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Er2 O14 -","- C16 H14 Er2 O14 -","- C32 H28 Er4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0284","0.0231","","","0.0501","0.0524","","","","","","1.063","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205730","7.7869","0.0019","7.2672","0.0018","17.37","0.004","90","","91.799","0.003","90","","982.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Eu2 O14 -","- C16 H14 Eu2 O14 -","- C32 H28 Eu4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0256","0.0214","","","0.0519","0.0539","","","","","","1.079","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205731","6.2191","0.0012","8.5786","0.0017","8.9113","0.0018","110.89","0.03","110.11","0.03","91.64","0.03","410.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0158","0.0152","","","0.0505","0.0507","","","","","","1.332","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205732","18.886","0.004","7.8133","0.0016","14.793","0.003","90","","113.604","0.002","90","","2000.3","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Eu2 O17 -","- C15 H16 Eu2 O17 -","- C60 H64 Eu8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0224","0.0198","","","0.0444","0.0456","","","","","","1.057","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205733","7.7659","0.0007","7.2009","0.0006","17.3199","0.0015","90","","91.452","0.001","90","","968.24","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy2 O14 -","- C16 H14 Dy2 O14 -","- C32 H28 Dy4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0225","0.019","","","0.0472","0.0491","","","","","","1.084","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205734","9.6267","0.0001","18.4669","0.0003","9.7167","0.0001","90","","113.689","0.001","90","","1581.84","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N4 O13 Zn -","- C25 H23 N4 O13 Zn -","- C50 H46 N8 O26 Zn2 -","2","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.08","0.063","","","0.1824","0.1961","","","","","","1.098","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205735","16.0549","0.0009","14.7739","0.0008","20.916","0.0012","90","","105.132","0.001","90","","4789.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C192 H208 N32 O48 Zn8 -","8","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0499","0.0451","","","0.1311","0.1402","","","","","","1.13","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205736","12.1267","0.0002","28.8702","0.0004","9.6769","0.0001","90","","93.585","0.001","90","","3381.26","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl N6 O13 Zn2 -","- C32 H29 Cl N6 O13 Zn2 -","- C128 H116 Cl4 N24 O52 Zn8 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0384","0.0305","","","0.0749","0.0788","","","","","","1.03","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205737","9.4905","0.0005","12.112","0.0006","23.4975","0.0012","93.066","0.001","90.284","0.001","110.117","0.001","2531.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","1","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0389","0.0288","","","0.0675","0.0716","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205738","11.561","0.005","11.515","0.005","14.717","0.006","90","","94.955","0.004","90","","1951.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0592","0.0487","","","0.1251","0.1317","","","","","","1.106","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205739","9.8561","0.0007","11.9538","0.0009","22.8463","0.0016","90","","95.506","0.001","90","","2679.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N4 O11 S Zn -","- C24 H24 N4 O11 S Zn -","- C96 H96 N16 O44 S4 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0498","0.0462","","","0.132","0.1356","","","","","","1.096","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205740","11.334","0.002","9.0242","0.0018","21.631","0.004","90","","95.38","0.03","90","","2202.7","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd2 N8 O14 S2 -","- C36 H48 Cd2 N8 O14 S2 -","- C72 H96 Cd4 N16 O28 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0436","0.0328","","","0.0782","0.0837","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205741","12.511","0.003","9.2727","0.0019","15.981","0.003","90","","94.78","0.03","90","","1847.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O4 S Zn -","- C18 H18 N4 O4 S Zn -","- C72 H72 N16 O16 S4 Zn4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.1089","0.0719","","","0.1297","0.1702","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205742","32.354","0.006","9.855","0.002","18.599","0.004","90","","99.41","0.03","90","","5850","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd N8 O6 -","- C27 H27 Cd N8 O6 -","- C216 H216 Cd8 N64 O48 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0524","0.0415","","","0.1067","0.1128","","","","","","1.067","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205743","13.771","0.003","14.65","0.003","20.312","0.004","90","","101.59","0.03","90","","4014.3","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N6 O6 Zn -","- C18 H17 N6 O6 Zn -","- C144 H136 N48 O48 Zn8 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.105","0.0596","","","0.1473","0.2098","","","","","","1.08","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205744","23.105","0.005","12.069","0.002","12.498","0.003","90","","90","","90","","3485.1","1.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Cd N10 O6 -","- C36 H36 Cd N10 O6 -","- C144 H144 Cd4 N40 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0289","0.0243","","","0.0574","0.0594","","","","","","1.054","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205745","10.7613","0.0015","10.7613","0.0015","16.348","0.003","90","","90","","90","","1893.2","0.5","295","2","295","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C36 H36 Cl2 N8 O8 Zn -","- C36 H36 Cl2 N8 O8 Zn -","- C72 H72 Cl4 N16 O16 Zn2 -","2","0.25","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.074","0.0571","","","0.1503","0.18","","","","","","1.107","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205746","10.998","0.002","11.8","0.002","12.793","0.003","70.09","0.03","66.74","0.03","73.43","0.03","1412.1","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","1","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0944","0.0685","","","0.1768","0.2128","","","","","","1.071","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205747","18.9721","0.0007","18.9721","0.0007","20.2105","0.0013","90","","90","","90","","7274.6","0.6","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H167 N30 Ni4 O101 P V36 -","- C40 H137 N30 Ni4 O101 P V36 -","- C80 H274 N60 Ni8 O202 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.0962","0.0694","","","0.2159","0.2342","","","","","","1.053","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205748","18.8231","0.0007","18.8231","0.0007","20.332","0.0015","90","","90","","90","","7203.8","0.7","196","2","196","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H155 N30 Ni4 O95 P V36 -","- C40 H154 N30 Ni4 O95 P V36 -","- C80 H308 N60 Ni8 O190 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.1037","0.0698","","","0.1932","0.2045","","","","","","1.104","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205749","10.1153","0.0008","10.1153","0.0008","8.8592","0.0014","90","","90","","120","","785.02","0.15","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Br K3 O10 -","- B6 Br K3 O10 -","- B18 Br3 K9 O30 -","3","0.166667","","Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun","Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br","CrystEngComm","2011","13","8","2899","","10.1039/c0ce00725k","","","0.71073","MoKα","","0.0275","0.0273","","","0.0637","0.0639","","","","","","1.157","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205750","24.4496","0.0007","14.3595","0.0004","34.5689","0.0009","90","","92.838","0.0004","90","","12121.7","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C60 H86 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C240 H344 Fe16 Mo48 N48 Na4 O332 P36 Sr8 -","4","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0416","0.0373","","","0.1017","0.104","","","","","","1.092","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205751","11.4944","0.0011","14.2418","0.0014","15.262","0.0015","69.142","0.001","81.976","0.001","88.108","0.001","2311.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H76 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0558","0.044","","","0.1084","0.113","","","","","","1.04","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205752","11.9135","0.0007","13.5243","0.0008","14.224","0.0014","106.946","0.001","107.202","0.001","108.76","0.001","1874.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H54 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0257","0.0242","","","0.0651","0.066","","","","","","1.042","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205753","14.1675","0.0004","21.2583","0.0006","13.6566","0.0004","90","","113.85","","90","","3761.83","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H60 Mn2 Mo12 N2 O82 P8 Sr4 -","- C10 H42 Mn2 Mo12 N2 O82 P8 Sr4 -","- C20 H84 Mn4 Mo24 N4 O164 P16 Sr8 -","2","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0248","0.0217","","","0.0533","0.0545","","","","","","1.064","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205754","10.631","0.009","9.315","0.008","18.052","0.015","90","","103.771","0.013","90","","1736","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 O2 -","- C20 H24 N3 O2 -","- C80 H96 N12 O8 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0921","0.0784","","","0.2147","0.2418","","","","","","0.869","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205755","25.244","0.004","18.525","0.003","8.9052","0.0013","90","","102.753","0.003","90","","4061.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0932","0.0791","","","0.1917","0.202","","","","","","1.134","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205756","8.539","0.003","13.703","0.004","17.468","0.005","90","","103.311","0.005","90","","1989","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N3 O3 -","- C17 H27 Cl2 N3 O3 -","- C68 H108 Cl8 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0606","0.0499","","","0.1206","0.1266","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205757","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.529 -","- C68 H76 N12 O2.116 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1554","0.1693","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205758","8.93","0.003","9.877","0.003","22.497","0.006","90","","90","","90","","1984.3","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0688","0.0458","","","0.0888","0.0964","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205759","10.3222","0.0016","10.7865","0.0017","10.8589","0.0017","111.053","0.002","115.931","0.002","99.711","0.002","935.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C40 H46 N6 O8 -","2","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0715","0.0565","","","0.1223","0.1295","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205760","13.941","0.008","15.599","0.009","9.412","0.005","90","","99.499","0.011","90","","2019","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.1209","0.1056","","","0.3023","0.3101","","","","","","1.255","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205761","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.5 -","- C68 H76 N12 O2 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1574","0.1716","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205762","6.0786","0.0004","10.5312","0.0008","17.6034","0.0012","90","","90","","90","","1126.88","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(benzoate)","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0724","0.0487","","","0.1098","0.1241","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205763","22.1824","0.0012","35.8905","0.0019","6.3763","0.0003","90","","90","","90","","5076.4","0.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(cyclohexylammonium).(benzoate)","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C208 H304 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1048","0.0702","","","0.1936","0.2219","","","","","","1.007","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205764","29.9753","0.0005","29.9753","0.0005","6.0374","0.0002","90","","90","","90","","5424.7","0.2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","(cycloheptylammonium).(benzoate)","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C224 H336 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0742","0.0442","","","0.0974","0.1117","","","","","","1.021","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205765","6.4482","0.0001","9.0987","0.0002","12.4471","0.0002","86.603","0.001","87.899","0.001","77.976","0.001","712.78","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclooctylammonium).(benzoate)","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0494","0.0419","","","0.111","0.1162","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205766","6.273","0.0005","27.265","0.002","10.4419","0.0008","90","","90.432","0.002","90","","1785.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclododecylammonium).(benzoate)","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0642","0.0559","","","0.1338","0.1384","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205767","6.4663","0.0002","11.0134","0.0004","21.0375","0.0009","90","","90","","90","","1498.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(adamantane carboxylate)","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0475","","","0.1184","0.1267","","","","","","1.012","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205768","6.5544","0.0003","12.7452","0.0004","19.7109","0.0009","76.69","0.003","89.615","0.003","89.59","0.002","1602.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclohexylammonium).(adamantane carboxylate)","","- C17 H29 N O2 -","- C17 H29 N O2 -","- C68 H116 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1166","0.0915","","","0.2571","0.2709","","","","","","1.115","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205769","23.4749","0.001","6.4309","0.0002","21.8759","0.001","90","","96.802","0.002","90","","3279.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cycloheptylammonium).(adamantane carboxylate)","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0772","0.05","","","0.1099","0.1218","","","","","","0.969","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205770","6.4758","0.0003","11.2016","0.0006","24.5573","0.0014","90","","93.217","0.004","90","","1778.56","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(cyclooctylammonium).(adamantane carboxylate)","","- C19 H33 N O2 -","- C19 H33 N O2 -","- C76 H132 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1684","0.065","","","0.1146","0.147","","","","","","0.918","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205771","28.971","0.0006","6.585","0.0001","23.0547","0.0005","90","","102.386","0.001","90","","4295.87","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cyclododecylammonium).(adamantanecarboxylate)","","- C23 H41 N O2 -","- C23 H41 N O2 -","- C184 H328 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0438","","","0.1231","0.1569","","","","","","0.644","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205772","5.9666","0.0002","8.7396","0.0002","19.1354","0.0006","90","","92.854","0.002","90","","996.59","0.05","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N3 S -","- C2 H7 N3 S -","- C16 H56 N24 S8 -","8","2","","Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A.","Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide","CrystEngComm","2011","13","10","3580","","10.1039/c0ce00760a","","","0.71073","MoKα","","0.0295","0.0178","","","0.0385","0.0199","","","","","","0.817","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205773","16.504","0.003","25.01","0.005","26.843","0.009","90","","116.46","0.02","90","","9919","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 B Cu5 N20 O41 W12 -","- C70 H72 B Cu5 N20 O41 W12 -","- C280 H288 B4 Cu20 N80 O164 W48 -","4","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0712","0.0441","","","0.0806","0.0891","","","","","","1.022","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205774","19.675","0.002","36.612","0.0013","27.69","0.003","90","","134.453","0.019","90","","14238","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C336 H336 Cu24 Mo96 N96 O320 P8 -","8","2","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0789","0.0489","","","0.0931","0.1049","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205775","17.473","0.003","19.379","0.004","24.951","0.005","90","","105.36","0.03","90","","8147","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C224 H224 Cu16 Mo48 N64 O160 Si4 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0725","0.0696","","","0.172","0.1739","","","","","","1.093","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205776","17.455","0.004","19.421","0.004","25.063","0.005","90","","105.5","0.03","90","","8187","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 N16 O40 Si W12 -","- C56 H56 Cu4 N16 O40 Si W12 -","- C224 H224 Cu16 N64 O160 Si4 W48 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0734","0.0654","","","0.1336","0.1371","","","","","","1.195","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205777","17.4554","0.0007","19.3865","0.0008","25.0002","0.0011","90","","105.521","0.001","90","","8151.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C224 H224 Cu16 Ge4 Mo48 N64 O160 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0781","0.0575","","","0.1301","0.1442","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205778","9.824","0.005","10.017","0.006","11.36","0.007","111.68","0.02","96.45","0.02","94.56","0.02","1023.3","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu Mo3 N4 O9.5 -","- C14 H14 Cu Mo3 N4 O9.5 -","- C28 H28 Cu2 Mo6 N8 O19 -","2","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0384","0.0313","","","0.0777","0.0898","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205779","26.982","0.008","7.503","0.002","15.853","0.004","90","","109.316","0.007","90","","3028.7","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cu2.5 N4 O10 -","- C12 H9 Cu2.5 N4 O10 -","- C96 H72 Cu20 N32 O80 -","8","1","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0246","0.0227","","","0.0626","0.0637","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205780","13.5623","0.0016","7.2662","0.0009","15.2513","0.0013","90","","123.605","0.007","90","","1251.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu4 N8 O14 -","- C22 H16 Cu4 N8 O14 -","- C44 H32 Cu8 N16 O28 -","2","0.5","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0301","0.0259","","","0.0707","0.0728","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205781","10.099","0.002","31.64","0.007","12.45","0.003","90","","95.854","0.002","90","","3957.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Eu3 O23 -","- C35 H31 Eu3 O23 -","- C140 H124 Eu12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0376","0.0289","","","0.0674","0.0779","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205782","10.051","0.004","31.543","0.012","12.42","0.005","90","","96.082","0.005","90","","3915","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Gd3 O23 -","- C35 H31 Gd3 O23 -","- C140 H124 Gd12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0405","0.0339","","","0.0734","0.0766","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205783","9.9881","0.001","31.471","0.003","12.2888","0.0012","90","","96.147","0.001","90","","3840.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Dy3 O23 -","- C35 H31 Dy3 O23 -","- C140 H124 Dy12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0497","0.0366","","","0.0899","0.1021","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205784","7.049","0.002","11.888","0.003","16.218","0.005","86.15","0.01","84.556","0.0014","86.298","0.0011","1347.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Br N O4 S -","- C13 H8 Br N O4 S -","- C52 H32 Br4 N4 O16 S4 -","4","2","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1207","0.0605","","","0.1496","0.1695","","","","","","0.951","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205785","16.309","0.004","6.7318","0.0016","13.206","0.006","90","","121.757","0.009","90","","1232.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","0.5","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.1","0.0485","","","0.0813","0.0981","","","","","","1.012","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205786","7.772","0.003","11.979","0.004","13.235","0.005","90","","104.844","0.005","90","","1191.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Br N O3 S -","- C13 H6 Br N O3 S -","- C52 H24 Br4 N4 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1099","0.0847","","","0.2288","0.2477","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205787","7.665","0.003","19.245","0.007","8.027","0.002","90","","99.656","0.014","90","","1167.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N2 O3 S -","- C13 H8 N2 O3 S -","- C52 H32 N8 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.063","0.0377","","","0.0821","0.0926","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205788","7.2392","0.0011","7.256","0.002","12.9183","0.0016","73.904","0.017","77.067","0.011","70.673","0.018","608.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N O3 S -","- C15 H7 N O3 S -","- C30 H14 N2 O6 S2 -","2","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71069","MoKα","","0.1438","0.064","","","0.1265","0.15","","","","","","0.92","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205789","5.579","0.003","12.653","0.006","16.384","0.009","90","","95.977","0.01","90","","1150.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O8 P2 Zn2 -","- C7 H9 N O8 P2 Zn2 -","- C28 H36 N4 O32 P8 Zn8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.0714","0.0553","","","0.1031","0.1113","","","","","","1.089","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205790","10.741","0.009","11.109","0.009","11.933","0.011","77.678","0.019","84.65","0.03","75.99","0.02","1348","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24.5 Cu4 N2 O19.25 P4 -","- C14 H14 Cu3.95 N2 O19.25 P4 -","- C28 H28 Cu7.9 N4 O38.5 P8 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.1286","0.0961","","","0.2824","0.3059","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205791","15.7312","0.0012","10.2246","0.0009","16.4141","0.0013","90","","113.281","0.005","90","","2425.2","0.4","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.1368","0.0638","","","0.1388","0.169","","","","","","1.026","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205792","10.0961","0.0004","10.9362","0.0004","11.6798","0.0003","86.562","0.002","78.274","0.002","67.484","0.0014","1166.21","0.07","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C60 H32 B2 Cl2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0841","0.0524","","","0.1304","0.1548","","","","","","1.059","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205793","10.1878","0.0003","11.1594","0.0004","11.6949","0.0004","87.172","0.0016","79.795","0.0017","68.681","0.0018","1218.85","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C60 H32 B2 I2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0859","","","","","","1.049","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205794","10.1389","0.0004","11.0056","0.0004","11.6749","0.0005","86.929","0.002","78.811","0.002","68.01","0.0019","1184.74","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C60 H32 B2 Br2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0659","0.0413","","","0.0906","0.1009","","","","","","1.018","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205795","10.503","0.006","10.907","0.007","13.045","0.007","88.62","0.02","66.884","0.015","80.085","0.017","1352.3","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C40 H32 Cu Eu4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0757","0.0622","","","0.1521","0.1686","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205796","10.51","","10.9229","0.0004","13.025","0.0001","88.851","0.007","66.903","0.005","80.45","0.007","1354.67","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C40 H32 Cu N6 Nd4 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0691","0.058","","","0.1567","0.173","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205797","10.426","","10.8303","0.0003","12.9799","0.0001","88.649","0.007","66.992","0.005","80.223","0.005","1327.98","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C40 H32 Cu Gd4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0617","0.0543","","","0.1385","0.1509","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205798","10.49","0.004","10.903","0.005","13.026","0.005","88.736","0.014","66.916","0.007","80.309","0.01","1349.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C40 H32 Cu N6 O34 S2 Sm4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0904","0.0733","","","0.1909","0.2239","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205799","15.9164","0.0008","15.9164","0.0008","7.8769","0.0004","90","","90","","120","","1728.13","0.15","100","2","100","2","","","","","","","","4","P 62","P 62","171","solvated gamma-aminobutyric acid","solvated gamma-aminobutyric acid","","- C8.2 H18 N2 O4.1 -","- C8.2 H18 N2 O4.1 -","- C49.2 H108 N12 O24.6 -","6","1","","de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.","A hexagonal solvate of the neurotransmitter γ-aminobutyric acid","CrystEngComm","2011","13","10","3334","","10.1039/c0ce00803f","","","0.71073","MoKα","","0.1018","0.0542","","","0.1214","0.1396","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205800","10.2479","0.0004","19.6937","0.0009","36.3999","0.0015","88.258","0.003","88.801","0.003","89.558","0.004","7341","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 Br2 Fe O13 S32 -","- C52 H39 Br2 Fe O13 S32 -","- C208 H156 Br8 Fe4 O52 S128 -","4","2","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2","CrystEngComm","2011","13","7","2430","","10.1039/c0ce00804d","","","0.71073","MoKα","","0.1195","0.0554","","","0.1067","0.1202","","","","","","1","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205801","9.1761","0.0003","11.7881","0.0007","11.8683","0.0007","103.977","0.002","97.401","0.003","94.414","0.003","1227.58","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O9 -","- C25 H34 N2 O9 -","- C50 H68 N4 O18 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1154","0.0531","","","0.1226","0.1717","","","","","","0.993","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205802","10.1087","0.0006","10.8879","0.0004","14.367","0.001","98.432","0.003","94.188","0.003","116.888","0.003","1377.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cl6 N2 O7 -","- C19 H28 Cl6 N2 O7 -","- C38 H56 Cl12 N4 O14 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1152","0.0605","","","0.1637","0.2061","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205803","9.7106","0.0002","19.4586","0.0004","11.009","0.0002","90","","113.827","0.001","90","","1902.91","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Cl3 N4 O4 -","- C12 H33 Cl3 N4 O4 -","- C48 H132 Cl12 N16 O16 -","4","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.0474","0.038","","","0.0757","0.0807","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205804","16.115","0.003","18.888","0.004","4.9329","0.0012","90","","90","","90","","1501.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H15 N2 O4 P -","- C15 H15 N2 O4 P -","- C60 H60 N8 O16 P4 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0455","0.0356","","","0.0802","0.0854","","","","","","1.037","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205805","6.253","0.0002","14.4187","0.0005","15.9581","0.0006","90","","93.37","0.001","90","","1436.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0498","0.0372","","","0.0939","0.1026","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205806","8.1846","0.0002","17.0013","0.0004","9.4108","0.0002","90","","99.507","0.001","90","","1291.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl N2 -","- C15 H13 Cl N2 -","- C60 H52 Cl4 N8 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.048","0.0363","","","0.0907","0.0986","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205807","14.7258","0.0007","20.1708","0.0008","20.1033","0.0007","90","","104.689","0.001","90","","5776.1","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H114 N16 O27 S6 -","- C120 H114 N16 O27 S6 -","- C240 H228 N32 O54 S12 -","2","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1144","0.0588","","","0.1041","0.1235","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205808","18.4041","0.0017","8.4011","0.0007","22.587","0.002","90","","90","","90","","3492.3","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl N2 O6 -","- C16 H19 Cl N2 O6 -","- C128 H152 Cl8 N16 O48 -","8","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1002","0.0727","","","0.2103","0.2369","","","","","","1.056","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205809","12.7148","0.0006","13.1573","0.0005","23.569","0.0012","90","","98.144","0.0017","90","","3903.2","0.3","120.1","","120.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 K8 O14 S8 -","- C72 H84 K8 O14 S8 -","- C144 H168 K16 O28 S16 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","","0.0559","","","","0.1884","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205810","22.2021","0.001","19.4371","0.0009","15.8554","0.0006","90","","130.596","0.0009","90","","5195.5","0.4","173.1","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C100 H72 K8 O23 S16 -","- C100 H72 K8 O23 S16 -","- C200 H144 K16 O46 S32 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","0.0661","0.0552","","","0.1577","0.1851","","","","","","1.379","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205811","22.572","0.0013","21.1052","0.0012","20.6054","0.0013","90","","117.648","0.013","90","","8695.3","1.4","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 Dy14 O72 -","- C120 H198 Dy14 O72 -","- C240 H396 Dy28 O144 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0554","0.0324","","","0.0849","0.1022","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205812","22.9431","0.0016","21.5429","0.001","20.9251","0.0014","90","","117.282","0.009","90","","9192","1.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 O72 Tb14 -","- C120 H198 O72 Tb14 -","- C240 H396 O144 Tb28 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0504","0.0416","","","0.0924","0.0945","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205813","20.5097","0.0016","7.9119","0.0006","12.3903","0.001","90","","123.334","0.001","90","","1679.8","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br2 N2 Ni O4 -","- C12 H18 Br2 N2 Ni O4 -","- C48 H72 Br8 N8 Ni4 O16 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0898","0.1132","","","","","","1.227","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205814","17.2034","0.0008","12.6231","0.0007","16.8913","0.0009","90","","105.234","0.001","90","","3539.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 Ni4 O12 -","- C32 H36 N4 Ni4 O12 -","- C128 H144 N16 Ni16 O48 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0362","0.0314","","","0.0803","0.0827","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205815","13.7506","0.0005","22.6852","0.0008","25.2982","0.0008","110.525","0.001","93.087","0.001","105.933","0.001","7007.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H139 Br12 N13 Ni6 O38 -","- C110 H139 Br12 N13 Ni6 O38 -","- C220 H278 Br24 N26 Ni12 O76 -","2","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1121","0.0693","","","0.1866","0.2088","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205816","28.336","0.006","8.9991","0.0018","21.869","0.004","90","","110.33","0.03","90","","5229","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H99 Br6 N9 Ni3 O28 -","- C82 H99 Br6 N9 Ni3 O28 -","- C164 H198 Br12 N18 Ni6 O56 -","2","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1406","0.0802","","","0.1967","0.2377","","","","","","0.992","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205817","17.1496","0.0004","17.1496","0.0004","16.3976","0.0008","90","","90","","90","","4822.7","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H48 Br4 N4 Ni4 O16 -","- C36 H48 Br4 N4 Ni4 O16 -","- C144 H192 Br16 N16 Ni16 O64 -","4","0.25","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.03","0.0264","","","0.0679","0.0696","","","","","","1.08","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205818","18.0337","0.0019","20.674","0.002","14.831","0.0016","90","","109.676","0.002","90","","5206.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 Ni4 O22 -","- C44 H56 N4 Ni4 O22 -","- C176 H224 N16 Ni16 O88 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0628","0.0452","","","0.1049","0.113","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205819","39.642","0.006","10.6741","0.0015","19.194","0.003","90","","94.065","0.004","90","","8101","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 N4 Ni4 O15.38 -","- C34 H44 N4 Ni4 O15.416 -","- C272 H352 N32 Ni32 O123.328 -","8","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0792","0.0562","","","0.131","0.1402","","","","","","1.087","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205820","10.599","0.005","12.238","0.005","13.468","0.005","73.105","0.005","70.024","0.005","88.139","0.005","1566.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Mo4 N12 Ni O15 -","- C16 H26 Mo4 N12 Ni O15 -","- C32 H52 Mo8 N24 Ni2 O30 -","2","1","","Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan","A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond","CrystEngComm","2011","13","7","2194","","10.1039/c0ce00845a","","","0.71069","MoKα","","0.0467","0.0332","","","0.0936","0.1172","","","","","","1.091","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205821","9.7616","0.0013","9.9673","0.0013","11.53","0.003","104.062","0.003","99.128","0.003","115.917","0.002","932.6","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N8 O3 -","- C16 H15 Ag N8 O3 -","- C32 H30 Ag2 N16 O6 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0408","0.0318","","","0.0755","0.0812","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205822","15.282","0.002","15.282","0.002","40.377","0.004","90","","90","","120","","8166.3","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H48 Ag2 N20 O9 -","- C48 H48 Ag2 N20 O9 -","- C288 H288 Ag12 N120 O54 -","6","0.166667","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0931","0.0704","","","0.1886","0.2109","","","","","","1.013","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205823","11.302","0.004","9.866","0.003","19.3","0.005","90","","107.972","0.015","90","","2047.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N7 O5 -","- C18 H20 Ag N7 O5 -","- C72 H80 Ag4 N28 O20 -","4","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0427","0.029","","","0.0716","0.0783","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205824","7.7004","0.0014","9.5195","0.0018","11.112","0.002","79.404","0.003","86.652","0.003","80.058","0.003","788.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Cu N6 -","- C14 H12 Cl2 Cu N6 -","- C28 H24 Cl4 Cu2 N12 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.062","0.0453","","","0.1075","0.116","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205825","8.7198","0.0007","10.1265","0.0009","10.9772","0.0009","88.422","0.001","73.732","0.001","72.307","0.001","884.72","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","1","0.5","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0404","0.031","","","0.0703","0.0748","","","","","","1.016","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205826","35.704","0.006","33.36","0.005","8.2196","0.0013","90","","90","","90","","9790","3","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl4 Cu2 N14 O6 -","- C42 H54 Cl4 Cu2 N14 O6 -","- C336 H432 Cl32 Cu16 N112 O48 -","8","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.1938","0.0916","","","0.1546","0.19","","","","","","1.012","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205827","17.0151","0.0003","17.0151","0.0003","56.2326","0.0017","90","","90","","120","","14099","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Gd9 N12 O44 -","- C72 H37 Gd9 N12 O44 -","- C432 H222 Gd54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.033","0.0325","","","0.0934","0.0938","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205828","17.0615","0.0004","17.0615","0.0004","56.505","0.003","90","","90","","120","","14244.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Eu9 N12 O44 -","- C72 H37 Eu9 N12 O44 -","- C432 H222 Eu54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.0446","0.0432","","","0.1224","0.1237","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205829","8.5848","0.0014","15.017","0.002","10.518","0.0016","90","","101.338","0.003","90","","1329.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N6 S4 -","- C22 H26 Cu2 N6 S4 -","- C44 H52 Cu4 N12 S8 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0627","0.042","","","0.0941","0.1032","","","","","","0.975","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205830","15.7586","0.001","13.6737","0.0009","33.957","0.002","90","","100.383","0.001","90","","7197.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 I22 N12 O2 Pb6 -","- C96 H144 I22 N12 O2 Pb6 -","- C192 H288 I44 N24 O4 Pb12 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.131","0.0596","","","0.1359","0.1585","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205831","26.592","0.0013","11.1777","0.0005","16.1137","0.0008","90","","110.993","0.001","90","","4471.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Ag I3 N2 -","- C18 H26 Ag I3 N2 -","- C144 H208 Ag8 I24 N16 -","8","1","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0325","0.0257","","","0.0622","0.0651","","","","","","1.044","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205832","12.608","0.0007","9.7404","0.0005","25.4217","0.0014","90","","96.403","0.001","90","","3102.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu4 N8 S6 -","- C24 H26 Cu4 N8 S6 -","- C96 H104 Cu16 N32 S24 -","4","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0249","0.0223","","","0.0563","0.0574","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205833","7.6036","0.0001","8.548","0.0001","13.8275","0.0002","90","","90.3164","0.0007","90","","898.71","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N8 O4 -","- C12 H28 N8 O4 -","- C24 H56 N16 O8 -","2","0.5","","Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","The azide anion as a building block in crystal engineering from a charge density point of view","CrystEngComm","2011","13","8","2930","","10.1039/c0ce00859a","","","0.71073","MoKα","","0.074","0.0401","","","0.1021","0.1222","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205834","11.6608","0.0006","39.3981","0.0019","24.4617","0.0012","90","","101.297","0.003","90","","11020.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cl0 Mn4 N0 O20 -","- C50 H56 Mn4 O20 -","- C400 H448 Mn32 O160 -","8","1","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0628","0.0574","","","0.1828","0.1885","","","","","","0.991","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205835","9.324","0.004","9.821","0.004","16.303","0.007","87.715","0.012","77.376","0.013","72.201","0.009","1386.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 Mn3 N0 O18 -","- C54 H64 Mn3 O18 -","- C54 H64 Mn3 O18 -","1","0.5","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0725","0.0534","","","0.1303","0.1436","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205836","5.354","0.0011","18.372","0.004","6.8327","0.0014","90","","113.85","0.03","90","","614.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-Triazole_Succinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.1311","0.0566","","","0.0782","0.0886","","","","","","1.179","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205837","5.269","0.0011","18.18","0.004","6.554","0.0013","90","","111.89","0.03","90","","582.5","0.2","12","2","12","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-TriazoleSuccinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.0708","0.0516","","","0.1091","0.1146","","","","","","1.134","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205838","16.713","0.003","21.571","0.003","26.609","0.004","90","","105.28","0.002","90","","9254","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 Co3 N6 O20 -","- C84 H64 Co3 N6 O20 -","- C336 H256 Co12 N24 O80 -","4","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1169","0.0613","","","0.1697","0.1901","","","","","","0.968","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205839","10.736","0.006","11.514","0.006","13.49","0.007","83.963","0.007","77.484","0.006","63.637","0.005","1458.5","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 Ni O8 -","- C30 H32 N2 Ni O8 -","- C60 H64 N4 Ni2 O16 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1324","0.0716","","","0.165","0.1998","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205840","10.1829","0.0015","11.9666","0.0018","12.957","0.002","86.208","0.002","71.776","0.002","64.945","0.002","1354.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.26 Co N2 O7.63 -","- C29 H29.258 Co N2 O7.629 -","- C58 H58.516 Co2 N4 O15.258 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.0852","0.054","","","0.1435","0.1832","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205841","7.66","0.003","10.26","0.004","12.88","0.005","110.07","0.005","93.73","0.005","105.24","0.005","903.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N2 O4 Zn -","- C21 H16 N2 O4 Zn -","- C42 H32 N4 O8 Zn2 -","2","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0574","0.0466","","","0.1251","0.1337","","","","","","1.124","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205842","35.298","0.003","11.5573","0.0011","21.1145","0.0019","90","","96.523","0.001","90","","8557.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 N8 O16 Zn4 -","- C88 H80 N8 O16 Zn4 -","- C352 H320 N32 O64 Zn16 -","4","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.1378","0.0636","","","0.1432","0.1655","","","","","","1.017","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205843","32.8723","0.0016","32.8723","0.0016","8.4085","0.0008","90","","90","","120","","7868.8","0.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H12 N6 O5 Zn2 -","- C13 H12 N6 O5 Zn2 -","- C234 H216 N108 O90 Zn36 -","18","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0386","0.0288","","","0.0735","0.077","","","","","","1.076","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205844","32.207","0.006","13.378","0.003","15.871","0.003","90","","91.05","0.03","90","","6837","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cd3 N6 O15.5 -","- C56 H54 Cd3 N6 O15.5 -","- C224 H216 Cd12 N24 O62 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0899","0.063","","","0.1672","0.1826","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205845","11.64","0.002","20.436","0.004","9.7263","0.0019","90","","90","","90","","2313.6","0.8","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H30 N4 O4 Zn -","- C24 H29 N4 O4 Zn -","- C96 H116 N16 O16 Zn4 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0576","0.0509","","","0.1194","0.1234","","","","","","1.055","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205846","16.91","0.003","5.8674","0.0012","17.368","0.003","90","","108.49","0.03","90","","1634.3","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Cd N2 O5 -","- C16 H20 Cd N2 O5 -","- C64 H80 Cd4 N8 O20 -","4","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0333","0.0266","","","0.0644","0.0656","","","","","","1.098","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205847","10.677","0.002","10.741","0.002","12.069","0.002","81.66","0.03","89.72","0.03","68.68","0.03","1274","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N2 O10 Zn -","- C21 H36 N2 O10 Zn -","- C42 H72 N4 O20 Zn2 -","2","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0585","0.0441","","","0.1115","0.1197","","","","","","1.047","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205848","11.682","0.002","15.1662","0.0015","15.468","0.002","96.085","0.002","109.65","0.003","90.622","0.002","2563.2","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Co2 N8 O20 -","- C48 H34 Co2 N8 O20 -","- C96 H68 Co4 N16 O40 -","2","1","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0755","0.0592","","","0.1391","0.1443","","","","","","1.095","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205849","11.145","0.0015","12.424","0.002","22.18","0.0012","102.016","0.002","103.475","0.003","95.419","0.002","2888","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0825","0.0538","","","0.1111","0.1171","","","","","","1.02","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205850","11.0396","0.0013","12.511","0.0016","22.498","0.002","101.492","0.002","102.416","0.003","95.975","0.002","2938.6","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.079","0.0547","","","0.1132","0.1187","","","","","","1.046","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205851","11.2397","0.0008","12.4964","0.0009","22.302","0.0016","102.114","0.001","103.41","0.002","95.597","0.001","2943.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0572","0.0373","","","0.085","0.0897","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205852","11.1668","0.0011","12.4554","0.0012","22.2593","0.0015","101.986","0.001","103.319","0.002","95.548","0.001","2912.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0629","0.0438","","","0.1045","0.1095","","","","","","1.088","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205853","17.4216","0.001","10.6092","0.0006","7.4959","0.0004","90","","90","","90","","1385.46","0.13","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H10 Ba N2 O8 -","- C12 H11 Ba N2 O8 -","- C48 H44 Ba4 N8 O32 -","4","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0387","0.0389","","","","","","1.173","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205854","13.831","0.002","13.831","0.002","27.458","0.008","90","","90","","90","","5252.6","1.9","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C192 H128 Cu16 N32 O112 -","16","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.059","0.0403","","","0.1102","0.1223","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205855","14.0543","0.0003","6.1624","0.0002","15.0156","0.0005","90","","111.797","0.001","90","","1207.5","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","2","magnesium naproxen monohydrate","","- C28 H28 Mg O7 -","- C28 H28 Mg O7 -","- C56 H56 Mg2 O14 -","2","1","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","","","0.71073","MoKα","","0.0593","0.0438","","","0.0838","0.0914","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205856","43.6732","0.0037","5.88876","0.00052","5.14629","0.00039","90","","90","","90","","1323.53","0.19","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mg O10 -","- C28 H26 Mg O10 -","- C56 H52 Mg2 O20 -","2","0.5","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0253","","1.71","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205857","9.159","0.003","10.311","0.003","10.797","0.003","69.736","0.008","82.11","0.012","87.822","0.011","947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","1","0.5","","Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong","A 2D polyoxometalate-based complex: spin-canting and metamagnetism","CrystEngComm","2011","13","11","3686","","10.1039/c0ce00905a","","","0.71073","MoKα","","0.0461","0.0344","","","0.0958","0.1353","","","","","","1.157","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205858","29.394","0.016","5.317","0.002","18.588","0.01","90","","118.972","0.007","90","","2542","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N3 O2 -","- C14 H8 Cu2 N3 O2 -","- C112 H64 Cu16 N24 O16 -","8","1","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0587","0.0437","","","0.1091","0.1276","","","","","","1.091","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205859","20.435","0.003","4.9321","0.0004","15.875","0.002","90","","105.577","0.005","90","","1541.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu2 N4 O5 -","- C14 H14 Cu2 N4 O5 -","- C56 H56 Cu8 N16 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0672","0.0534","","","0.1552","0.1672","","","","","","1.073","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205860","6.8023","0.0011","12.19","0.002","14.598","0.002","79.24","0.001","77.46","0.003","80.735","0.002","1151.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 Nd O12 -","- C20 H18 Ag N6 Nd O12 -","- C40 H36 Ag2 N12 Nd2 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0391","0.0384","","","0.1036","0.1045","","","","","","1.023","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205861","6.77","0.003","12.168","0.006","14.601","0.007","79.594","0.017","77.637","0.017","80.502","0.018","1145.5","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","(EuAg(L01)2(H2O)4)","","","- C20 H18 Ag Eu N6 O12 -","- C20 H18 Ag Eu N6 O12 -","- C40 H36 Ag2 Eu2 N12 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0309","0.0279","","","0.069","0.0699","","","","","","1.087","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205862","6.755","0.003","12.104","0.004","14.524","0.005","79.526","0.013","77.666","0.014","80.439","0.015","1130.7","0.7","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 O12 Tb -","- C20 H18 Ag N6 O12 Tb -","- C40 H36 Ag2 N12 O24 Tb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0262","0.022","","","0.0536","0.0543","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205863","14.4621","0.001","17.0741","0.0011","9.1373","0.0006","90","","115.425","0.001","90","","2037.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 Nd O8 -","- C20 H10 Ag N6 Nd O8 -","- C80 H40 Ag4 N24 Nd4 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0282","0.0273","","","0.0789","0.0798","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205864","14.358","0.005","16.949","0.006","9.127","0.003","90","","115.676","0.015","90","","2001.8","1.2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag Eu N6 O8 -","- C20 H10 Ag Eu N6 O8 -","- C80 H40 Ag4 Eu4 N24 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0168","0.0162","","","0.0404","0.0406","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205865","14.326","0.005","16.855","0.006","9.095","0.004","90","","115.654","0.017","90","","1979.6","1.3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 O8 Tb -","- C20 H10 Ag N6 O8 Tb -","- C80 H40 Ag4 N24 O32 Tb4 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0204","0.02","","","0.0492","0.0494","","","","","","1.1","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205866","7.58","0.002","9.975","0.003","14.591","0.006","92.161","0.014","92.42","0.013","109.51","0.012","1037.4","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag Er N6 O10 -","- C20 H14 Ag Er N6 O10 -","- C40 H28 Ag2 Er2 N12 O20 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0205","0.0192","","","0.0474","0.0477","","","","","","1.159","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205867","7.55","0.002","9.951","0.004","14.564","0.005","92.128","0.016","92.46","0.013","109.383","0.015","1029.7","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag N6 O10 Yb -","- C20 H14 Ag N6 O10 Yb -","- C40 H28 Ag2 N12 O20 Yb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0226","0.0214","","","0.0521","0.0524","","","","","","1.133","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205868","17.401","0.013","12.226","0.008","5.324","0.004","90","","106.19","0.011","90","","1087.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Gd K Mo3 O12 -","- Ba Gd K Mo3 O12 -","- Ba4 Gd4 K4 Mo12 O48 -","4","0.5","","Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure","CrystEngComm","2011","13","12","4069","","10.1039/c0ce00922a","","","0.71073","MoKα","","0.0203","0.019","","","0.0468","0.0474","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205869","16.0731","0.0006","5.4794","0.0002","21.8203","0.0008","90","","108.287","0.002","90","","1824.68","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Ag3 N8 O12 Tb -","- C32 H26 Ag3 N8 O12 Tb -","- C64 H52 Ag6 N16 O24 Tb2 -","2","0.5","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","3861","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0496","0.0388","","","0.0863","0.0913","","","","","","1.012","","","","has coordinates","180548","2020-10-21","18:00:00",""
"7205870","8.8964","0.0009","12.3459","0.0013","13.86","0.0014","72.95","0.001","84.272","0.001","71.648","0.001","1381.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Ag2 Eu N6 O9 -","- C26 H19 Ag2 Eu N6 O9 -","- C52 H38 Ag4 Eu2 N12 O18 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0418","0.0352","","","0.079","0.0832","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205871","15.993","0.002","5.3401","0.0007","18.709","0.002","90","","101.289","0.002","90","","1566.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 Er N8 O8 -","- C32 H20 Br Cu2 Er N8 O8 -","- C64 H40 Br2 Cu4 Er2 N16 O16 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0342","0.0295","","","0.0634","0.0655","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205872","16.1117","0.0014","5.3028","0.0005","18.7099","0.0017","90","","101.111","0.001","90","","1568.6","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 N8 O8 Yb -","- C32 H20 Br Cu2 N8 O8 Yb -","- C64 H40 Br2 Cu4 N16 O16 Yb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0335","0.0307","","","0.0679","0.0692","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205873","9.742","0.003","12.158","0.003","12.383","0.003","61.15","0.003","76.851","0.003","82.676","0.004","1250.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Ag N6 O8 Tb -","- C25 H15 Ag N6 O8 Tb -","- C50 H30 Ag2 N12 O16 Tb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0669","0.0524","","","0.1244","0.1338","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205874","23.261","0.004","13.8565","0.0019","24.237","0.004","90","","106.222","0.002","90","","7501","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H85 Br6 Cl4 Cu7 N17 O9 -","- C50 H54 Br6 Cl4 Cu7 N17 O9 -","- C200 H216 Br24 Cl16 Cu28 N68 O36 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.1055","0.0923","","","0.1666","0.1729","","","","","","1.147","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205875","24.3342","0.0013","22.3283","0.0012","14.4168","0.0008","90","","90","","90","","7833.2","0.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H96 Br6 Cl4 Cu7 N20 O12 -","- C48 H68 Br6 Cl4 Cu7 N18 O10 -","- C192 H272 Br24 Cl16 Cu28 N72 O40 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1261","0.1417","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205876","16.4547","0.0004","16.4547","0.0004","27.7701","0.0014","90","","90","","120","","6511.6","0.4","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H15 Cu4 I4 N6 -","- C12 H15 Cu4 I4 N6 -","- C144 H180 Cu48 I48 N72 -","12","0.333333","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0389","0.0317","","","0.0732","0.0761","","","","","","0.993","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205877","14.8878","0.0006","15.1363","0.0006","23.6357","0.0009","90","","90","","90","","5326.2","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cu4 I4 N8 -","- C16 H20 Cu4 I4 N8 -","- C128 H160 Cu32 I32 N64 -","8","1","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0518","0.0366","","","0.0826","0.0908","","","","","","1.018","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205878","23.253","0.006","7.6111","0.0019","14.573","0.004","90","","90","","90","","2579.1","1.2","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Cd Cl N8 -","- C8 H5 Cd Cl N8 -","- C32 H20 Cd4 Cl4 N32 -","4","0.25","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0604","0.0538","","","0.1459","0.1493","","","","","","0.994","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205879","8.7396","0.0014","9.1057","0.0015","10.0556","0.0016","74.388","0.002","82.547","0.002","77.733","0.002","750.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","1","0.5","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0243","0.0201","","","0.0496","0.0518","","","","","","1.104","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205880","13.3278","0.0017","8.2658","0.001","10.1631","0.0013","90","","97.45","0.002","90","","1110.2","0.2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Mn(H2O))(ClO4))N","","","- C12 H18 Cl2 Mn N2 O16 P2 -","- C12 H18 Cl2 Mn N2 O16 P2 -","- C24 H36 Cl4 Mn2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0893","0.0749","","","0.2358","0.2525","","","","","","1.169","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205881","13.398","0.003","8.2442","0.0019","10.04","0.002","90","","97.348","0.004","90","","1099.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2PyCH2PO3Mn(H2O)(ClO4))N","","","- C12 H20 Cl2 Co N2 O16 P2 -","- C12 H20 Cl2 Co N2 O16 P2 -","- C24 H40 Cl4 Co2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0702","0.0486","","","0.1233","0.1396","","","","","","1.042","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205882","11.051","0.003","14.563","0.004","20.651","0.006","90","","92.526","0.006","90","","3320.3","1.6","213","2","213","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","(Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)","","","- C24 H54 Cl8 Fe4 N4 O53 P4 -","- C24 H52 Cl8 Fe4 N4 O53 P4 -","- C48 H104 Cl16 Fe8 N8 O106 P8 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0971","0.0666","","","0.1756","0.2009","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205883","23.6196","0.0007","23.6196","0.0007","9.5024","0.0003","90","","90","","120","","4591","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","(((2PyHCH2PO3H)Fe2)(ClO4))n","","","- C18 H24 Cl3 Fe N3 O21 P3 -","- C18 H24 Cl3 Fe N3 O21 P3 -","- C108 H144 Cl18 Fe6 N18 O126 P18 -","6","0.333333","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0664","0.0407","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205884","13.517","0.0008","8.2636","0.0004","10.391","0.0004","90","","97.108","0.004","90","","1151.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Fe(H2O))ClO4)n","","","- C12 H20 Cl2 Fe N2 O16 P2 -","- C12 H20 Cl2 Fe N2 O15.98 P2 -","- C24 H40 Cl4 Fe2 N4 O31.96 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1014","0.0803","","","0.2291","0.2536","","","","","","1.04","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205885","13.9027","0.0019","9.8255","0.0014","7.9178","0.0011","90","","104.871","0.002","90","","1045.4","0.3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((2PyCH2PO3)AgPb(NO3))n","","","- C6 H6 Ag N2 O6 P Pb -","- C6 H6 Ag N2 O6 P Pb -","- C24 H24 Ag4 N8 O24 P4 Pb4 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0557","0.0425","","","0.0993","0.108","","","","","","1.075","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205886","13.144","0.01","9.394","0.008","16.244","0.013","90","","108.812","0.015","90","","1899","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","((2PyHCH2PO3)Ag3(SO3CF3)2)N","","","- C8 H7 Ag3 F6 N O9 P S2 -","- C8 H7 Ag3 F6 N O9 P S2 -","- C32 H28 Ag12 F24 N4 O36 P4 S8 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1294","0.0446","","","0.0848","0.118","","","","","","1.003","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205887","5.4028","0.0004","10.136","0.0008","11.8724","0.0009","73.613","0.001","84.532","0.001","82.593","0.001","617.36","0.08","213","2","213","2","","","","","","","","6","P -1","-P 1","2","((2PyHCH2PO3H2)Pb(NO3)2)N","","","- C6 H8 N3 O9 P Pb -","- C6 H8 N3 O9 P Pb -","- C12 H16 N6 O18 P2 Pb2 -","2","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0406","0.0366","","","0.0922","0.0955","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205888","7.637","0.0015","14.692","0.003","9.4326","0.0019","90","","98.76","0.03","90","","1046","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C–H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0692","0.057","","","0.1414","0.1496","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205889","7.753","0.0016","33.697","0.007","9.3858","0.0019","90","","93.8","0.03","90","","2446.7","0.9","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 Hg N6 O2 S2 -","- C20 H18 Cl2 Hg N6 O2 S2 -","- C80 H72 Cl8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0727","0.0565","","","0.1414","0.1514","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205890","7.798","0.005","34.458","0.024","9.449","0.007","90","","94.53","0.005","90","","2531","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","from C:/gsas/MyWork/TTT4-EDITED.CIF","","","- C20 H18 Br2 Hg N6 O2 S2 -","- C20 H18 Br2 Hg N6 O2 S2 -","- C80 H72 Br8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08258","","1.4","","","","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205891","17.4171","0.0018","10.4197","0.0011","8.7144","0.0009","90","","92.169","0.008","90","","1580.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Hg I2 N3 O S -","- C10 H9 Hg I2 N3 O S -","- C40 H36 Hg4 I8 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.1153","0.0681","","","0.1417","0.1616","","","","","","1.106","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205892","14.44","0.004","17.799","0.004","19.906","0.005","92.501","0.004","103.026","0.004","110.987","0.004","4610","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H172 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0642","0.0412","","","0.0863","0.0959","","","","","","1.017","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205893","14.96","0.006","16.918","0.006","21.193","0.008","88.785","0.006","79.214","0.006","72.936","0.005","5034","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H174 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0562","0.0417","","","0.0979","0.1031","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205894","6.0496","0.0013","8.1335","0.0017","19.475","0.004","84.322","0.005","81.261","0.004","89.672","0.005","942.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","1","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0549","0.0521","","","0.129","0.1304","","","","","","1.127","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205895","7.0688","0.0011","7.4648","0.0012","21.049","0.004","90","","96.734","0.004","90","","1103","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 Ni O7 -","- C23 H26 N2 Ni O7 -","- C46 H52 N4 Ni2 O14 -","2","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0558","0.0472","","","0.0992","0.1039","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205896","6.9571","0.0005","7.5601","0.0005","41.523","0.003","90","","93.349","0.001","90","","2180.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N Ni O8.5 -","- C21 H26 N Ni O8.5 -","- C84 H104 N4 Ni4 O34 -","4","2","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0452","0.0422","","","0.0958","0.0971","","","","","","1.12","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205897","6.7676","0.0006","7.2311","0.0007","14.1591","0.0013","82.763","0.002","84.102","0.002","66.047","0.002","627.17","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H8 Ba O6 -","- C15 H8 Ba O6 -","- C30 H16 Ba2 O12 -","2","2","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0267","0.0261","","","0.0683","0.0687","","","","","","1.054","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7205898","7.7123","0.0002","28.5057","0.0008","6.6459","0.0002","90","","105.05","0.002","90","","1410.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cd O8 -","- C15 H12 Cd O8 -","- C60 H48 Cd4 O32 -","4","1","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0288","0.0257","","","0.0676","0.0695","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205899","26.943","0.002","7.2476","0.0006","6.9261","0.0005","90","","97.703","0.002","90","","1340.27","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Mn O7 -","- C15 H10 Mn O7 -","- C60 H40 Mn4 O28 -","4","0.5","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0312","0.0258","","","0.0631","0.066","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205900","18.1708","0.0007","6.5265","0.0002","17.4683","0.0007","90","","116.771","0.001","90","","1849.55","0.12","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis[dimethyl(vinyl)silylcyclopentadienylnickel","","- C18 H26 Ni2 Si2 -","- C18 H26 Ni2 Si2 -","- C72 H104 Ni8 Si8 -","4","0.5","","Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof","On the nature of NiNi interaction in a model dimeric Ni complex.","Physical chemistry chemical physics : PCCP","2011","13","21","10280","10284","10.1039/c0cp01984d","","x-ray","0.71073","MoKα","","0.018","0.012","","","","0.034","0.017","","","","","1.072","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205901","11.932","0.002","16.268","0.003","16.358","0.003","77.24","0.03","72.99","0.03","72.58","0.03","2866","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C57 H70 N6 O20 -","- C57 H70 N6 O20 -","- C114 H140 N12 O40 -","2","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0579","0.0558","","","0.1485","0.1505","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205902","16.375","0.002","27.574","0.002","23.898","0.003","90","","109.868","0.01","90","","10148","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C108 H118 N12 O33 -","- C108 H118 N12 O33 -","- C432 H472 N48 O132 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.8088","synchrotron","","0.05","0.0474","","","0.1302","0.1331","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205903","13.471","0.003","18.802","0.004","12.373","0.003","90","","95.42","0.03","90","","3119.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C34 H37 N3 O8 -","- C34 H37 N3 O8 -","- C136 H148 N12 O32 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0607","0.0596","","","0.157","0.1579","","","","","","1.006","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205904","24.862","0.005","31.758","0.006","20.555","0.004","90","","90","","90","","16230","5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C99 H99 Bi8 I33 N18 -","- C99 H99 Bi8 I33 N18 -","- C396 H396 Bi32 I132 N72 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.1118","0.0893","","","0.1949","0.2076","","","","","","1.189","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205905","8.4498","0.0017","31.165","0.006","21.534","0.004","90","","90","","90","","5670.7","1.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H39 Bi2.67 I11 N6 -","- C36 H39 Bi2.667 I11 N6 -","- C144 H156 Bi10.668 I44 N24 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0767","0.063","","","0.1736","0.1842","","","","","","1.14","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205906","20.254","0.004","11.741","0.002","25.352","0.005","90","","90","","90","","6029","2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Bi2 I8 N2 -","- C14 H18 Bi2 I8 N2 -","- C112 H144 Bi16 I64 N16 -","8","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0988","0.0634","","","0.1426","0.163","","","","","","1.043","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205907","8.818","0.002","10.459","0.002","16.684","0.004","73.495","0.003","82.566","0.004","65.165","0.003","1338.8","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O6 S -","- C24 H36 N2 O6 S -","- C48 H72 N4 O12 S2 -","2","1","","Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng","An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions","Green Chemistry","2011","13","3","582","","10.1039/c0gc00442a","","","0.71073","MoKα","","0.1706","0.0722","","","0.194","0.2562","","","","","","1.01","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205908","11.2071","0.0008","23.3231","0.0015","11.1208","0.0008","90","","117.989","0.001","90","","2566.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O7 S -","- C24 H30 N2 O7 S -","- C96 H120 N8 O28 S4 -","4","1","","Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng","An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions","Green Chemistry","2011","13","3","582","","10.1039/c0gc00442a","","","0.71073","MoKα","","0.0912","0.0618","","","0.1576","0.1768","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205909","5.6284","0.0002","12.5878","0.0004","15.935","0.0004","90","","98.913","0.002","90","","1115.35","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N3 O2 -","- C9 H9 Cl2 N3 O2 -","- C36 H36 Cl8 N12 O8 -","4","1","","Li, Da-Peng; Zhang, Guang-Liang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Solvent- and catalyst-free synthesis of 2,3-dihydro-1H-benzo[d]imidazoles","Green Chemistry","2011","13","3","594","","10.1039/c0gc00572j","","","0.71073","MoKα","","0.0622","0.0578","","","0.151","0.1552","","","","","","1.086","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205910","13.622","0.003","7.8211","0.0011","9.8987","0.0017","90","","104.1","0.02","90","","1022.8","0.3","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H18 Cl N3 -","- C7 H18 Cl N3 -","- C28 H72 Cl4 N12 -","4","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Pentaalkylmethylguanidinium methylcarbonates ‒ versatile precursors for the preparation of halide-free and metal-free guanidinium-based ILs","Green Chemistry","2011","13","3","608","","10.1039/c0gc00698j","","","0.71073","MoKα","","0.0933","0.0701","","","0.2253","0.232","","","","","","1.257","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205934","10.311","0.0015","14.363","0.002","17.633","0.003","90","","98.889","0.015","90","","2580","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27.5 Co N5 O5.25 -","- C25 H27.5 Co N5 O5.25 -","- C100 H110 Co4 N20 O21 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1042","0.0586","","","0.1279","0.1427","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205935","21.832","0.003","8.627","0.005","25.84","0.004","90","","100.013","0.004","90","","4793","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 N10 O9 Zn2 -","- C50 H52 N10 O9 Zn2 -","- C200 H208 N40 O36 Zn8 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.114","0.0834","","","0.2194","0.2437","","","","","","1.139","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205936","20.8269","0.0004","8.8702","0.0002","26.6257","0.0006","90","","102.073","0.002","90","","4810","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Co2 N10 O9 -","- C50 H52 Co2 N10 O9 -","- C200 H208 Co8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.0887","0.0543","","","0.1407","0.1605","","","","","","1.036","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205937","21.332","0.001","8.884","0.003","26.584","0.006","90","","103.11","0.004","90","","4907","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cd2 N10 O9 -","- C50 H52 Cd2 N10 O9 -","- C200 H208 Cd8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.1155","0.051","","","0.1127","0.1279","","","","","","0.973","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205938","10.2094","0.0003","14.3216","0.0003","17.7147","0.0005","90","","99.17","0.003","90","","2557.05","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0929","0.0414","","","0.0899","0.0979","","","","","","0.825","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205939","9.617","0.003","10.173","0.005","11.458","0.004","108.033","0.005","97.015","0.003","105.519","0.005","1001","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N3 O5 -","- C20 H18 Cd N3 O5 -","- C40 H36 Cd2 N6 O10 -","2","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0513","0.0299","","","0.0637","0.068","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205940","18.5487","0.0016","9.8461","0.001","13.2847","0.0011","90","","90","","90","","2426.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1305","0.0377","","","0.0398","0.0506","","","","","","0.81","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205941","18.3946","0.0007","9.8739","0.0003","13.2948","0.0005","90","","90","","90","","2414.69","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Co N5 O5 -","- C25 H27 Co N5 O5 -","- C100 H108 Co4 N20 O20 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0876","0.0349","","","0.0436","0.0478","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205942","12.8208","0.0012","9.8968","0.0007","17.2355","0.0015","90","","105.965","0.01","90","","2102.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cd N3 O7 -","- C20 H24 Cd N3 O7 -","- C80 H96 Cd4 N12 O28 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0424","0.0286","","","0.0659","0.0688","","","","","","0.981","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205943","13.7551","0.0007","12.4113","0.0007","16.3819","0.0008","90","","110.267","0.005","90","","2623.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 O6 Zn -","- C26 H25 N5 O6 Zn -","- C104 H100 N20 O24 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.146","0.0434","","","0.0563","0.0669","","","","","","0.822","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205944","14.081","0.005","14.731","0.003","22.623","0.004","90","","101.225","0.004","90","","4603","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N6 O17 -","- C42 H42 Cd2 N6 O17 -","- C168 H168 Cd8 N24 O68 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0695","0.0398","","","0.0876","0.0933","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205945","8.7682","0.001","16.858","0.0019","13.7225","0.0015","90","","94.213","0.002","90","","2022.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu4 I5 N3 -","- C8 H16 Cu4 I5 N3 -","- C32 H64 Cu16 I20 N12 -","4","1","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0268","0.0223","","","0.0486","0.0504","","","","","","1.01","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205946","13.0234","0.0003","13.0234","0.0003","61.997","0.002","90","","90","","120","","9106.5","0.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 Cu7 I8 N4 -","- C12 H25 Cu7 I8 N4 -","- C144 H300 Cu84 I96 N48 -","12","0.333333","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0369","0.0327","","","0.103","0.1049","","","","","","1.1","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205947","9.8839","0.0004","18.237","0.0008","18.0818","0.0008","90","","90","","90","","3259.3","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cobalt(ii) formate DEF solvate","","","- C12 H12 Co6 O24 -","- C12 H12 Co6 O24 -","- C48 H48 Co24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0595","0.0405","","","0.0901","0.0956","","","","","","0.968","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205948","9.8715","0.0009","18.2678","0.0015","18.1613","0.0016","90","","90","","90","","3275","0.5","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","magnesium(ii) formate DEF solvate","","","- C12 H12 Mg6 O24 -","- C12 H12 Mg6 O24 -","- C48 H48 Mg24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0708","0.0471","","","0.1081","0.116","","","","","","0.966","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205949","9.868","0.0004","18.2476","0.0008","18.14","0.0008","90","","90","","90","","3266.4","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Zinc(ii) formate DEF solvate","","","- C12 H12 O24 Zn6 -","- C12 H12 O24 Zn6 -","- C48 H48 O96 Zn24 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0336","0.0298","","","0.0832","0.0849","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205950","27.198","0.005","13.261","0.003","13.222","0.003","90","","90","","90","","4768.8","1.8","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H58 Br8 Cd3 N10 O13 S4 -","- C18 H48 Br8 Cd3 N10 O13 S4 -","- C72 H192 Br32 Cd12 N40 O52 S16 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0558","0.0435","","","0.1119","0.1167","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205951","4.2002","0.0008","20.158","0.004","12.441","0.003","90","","96.58","0.03","90","","1046.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cd I N2 O S2 -","- C4 H7 Cd I N2 O S2 -","- C16 H28 Cd4 I4 N8 O4 S8 -","4","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0254","0.0211","","","0.0412","0.0423","","","","","","1.038","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205952","14.791","0.004","14.791","0.004","5.696","0.003","90","","90","","90","","1246.1","0.8","295","2","295","2","","","","","","","","6","P 42","P 4c","77","","","","- C5 H10 Mn2 N O12 P2 -","- C5 H10 Mn2 N O12 P2 -","- C20 H40 Mn8 N4 O48 P8 -","4","1","","Dong, Da-Peng; Sun, Zhen-Gang; Tong, Fei; Zhu, Yan-Yu; Chen, Kai; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Wang, Wei-Nan","Synthesis, structure, surface photovoltage and magnetic properties of a novel 3D homochiral manganese phosphonate with right-handed helical chains","CrystEngComm","2011","13","10","3317","","10.1039/c1ce05053b","","","0.71073","MoKα","","0.048","0.0356","","","0.0738","0.0787","","","","","","1.05","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205953","10.628","0.002","35.255","0.007","15.059","0.003","90","","110.5","0.03","90","","5285","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu4 N8 O12 S3 -","- C52 H40 Cu4 N8 O12 S3 -","- C208 H160 Cu16 N32 O48 S12 -","4","0.5","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs","CrystEngComm","2011","13","11","3895","","10.1039/c1ce05059a","","","0.71073","MoKα","","0.0854","0.0698","","","0.1832","0.1977","","","","","","1.043","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205954","11.536","0.0004","12.945","0.0006","14.784","0.0006","75.239","0.004","71.308","0.003","67.165","0.004","1905.77","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0924","0.0705","","","0.1958","0.2063","","","","","","1.029","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205955","11.5322","0.0003","12.9295","0.0006","14.7825","0.0006","75.286","0.004","71.406","0.003","67.39","0.003","1906.66","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0895","0.0699","","","0.1852","0.194","","","","","","1.026","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205956","11.684","0.001","17.636","0.0014","25.363","0.002","96.332","0.001","98.081","0.0011","101.984","0.0011","5008.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag6 N24 O74 P2 W18 -","- C36 H36 Ag6 N24 O74 P2 W18 -","- C72 H72 Ag12 N48 O148 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0959","0.0574","","","0.1397","0.1787","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205957","10.414","0.003","10.461","0.003","10.556","0.003","72.438","0.004","74.048","0.004","78.329","0.003","1045.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0754","0.0623","","","0.1838","0.2004","","","","","","1.073","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205958","17.322","0.002","17.322","0.002","27.263","0.006","90","","90","","90","","8180","2","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C95 H105 Cd4 N22 O46 -","- C77 H52 Cd4 N16 O20 -","- C154 H104 Cd8 N32 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0598","0.0571","","","0.1646","0.1669","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205959","17.322","0.002","17.322","0.002","23.419","0.005","90","","90","","90","","7026.9","1.9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C99.5 H120.5 Cd4 N15.5 O35.5 -","- C77 H52 Cd4 N8 O20 -","- C154 H104 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0616","0.0601","","","0.1674","0.1687","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205960","17.433","0.005","17.433","0.005","16.137","0.007","90","","90","","90","","4904","3","293","2","293","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C134 H185 Cd4 N19 O51 -","- C101 H68 Cd4 N8 O20 -","- C101 H68 Cd4 N8 O20 -","1","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0636","0.0606","","","0.168","0.171","","","","","","1.071","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205961","17.3376","0.0008","17.3376","0.0008","27.957","0.002","90","","90","","90","","8403.7","0.8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C109 H134 Cd4 N16 O33 -","- C85 H68 Cd4 N8 O20 -","- C170 H136 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.1002","0.0978","","","0.2602","0.2617","","","","","","1.056","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205962","6.3854","0.0009","8.8391","0.0012","26.129","0.005","90","","90","","90","","1474.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Ag N4 O6 -","- C13 H11 Ag N4 O6 -","- C52 H44 Ag4 N16 O24 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0961","0.0484","","","0.0769","0.0921","","","","","","1.019","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205963","7.55","0.001","10.075","0.0011","12.7547","0.0017","89.399","0.01","80.098","0.011","71.088","0.01","903.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Cl N5 O9 -","- C13 H10 Ag2 Cl N5 O9 -","- C26 H20 Ag4 Cl2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0433","0.0313","","","0.0706","0.0767","","","","","","1.042","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205964","7.5949","0.0009","10.1026","0.0014","12.8377","0.0016","89.295","0.01","79.941","0.011","70.855","0.01","915.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Br N5 O9 -","- C13 H10 Ag2 Br N5 O9 -","- C26 H20 Ag4 Br2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0802","0.0407","","","0.0692","0.0806","","","","","","1.006","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205965","7.4597","0.0007","8.0105","0.0006","13.5106","0.001","88.204","0.007","86.411","0.008","80.948","0.008","795.53","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag I N4 O6 -","- C13 H10 Ag I N4 O6 -","- C26 H20 Ag2 I2 N8 O12 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0293","0.0271","","","0.0679","0.0695","","","","","","1.052","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205966","13.106","0.003","10.729","0.0018","13.434","0.002","90","","106.41","0.02","90","","1812.1","0.6","295","2","295","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C15 H14 Ag B Br F4 N3 O3.5 -","- C15 H14 Ag B Br F4 N3 O3.5 -","- C60 H56 Ag4 B4 Br4 F16 N12 O14 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.1247","0.0549","","","0.0876","0.1082","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205967","9.8556","0.0012","10.8736","0.0014","15.375","0.002","92.219","0.009","95.523","0.009","94.117","0.01","1634.1","0.4","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0853","0.0459","","","0.09","0.1044","","","","","","1.013","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205968","11.6037","0.0019","11.6541","0.0016","13.053","0.003","73.417","0.013","77.433","0.014","72.924","0.013","1599.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0542","0.0507","","","0.1381","0.1425","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205969","11.6733","0.001","12.0649","0.0008","12.8161","0.0019","77.832","0.011","74.406","0.01","74.254","0.008","1654.7","0.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0519","0.0429","","","0.0999","0.1059","","","","","","1.068","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205970","13.8954","0.0015","13.8954","0.0015","17.787","0.002","90","","90","","90","","3434.4","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 In N0 O8 -","- C20 H28 In O8 -","- C80 H112 In4 O32 -","4","0.5","","Wang, Liping; Song, Tianyou; Huang, Liangliang; Xu, Jianing; Li, Chao; Ji, Caixia; Shan, Liang; Wang, Li","A porous chiral In-MOF with anionic-type diamond network: synthesis, structure and nitrogen gas adsorption","CrystEngComm","2011","13","12","4005","","10.1039/c1ce05110e","","","0.71073","MoKα","","0.1052","0.0658","","","0.176","0.1867","","","","","","0.932","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205971","11.5278","0.0015","12.7865","0.0015","15.6274","0.0017","65.755","0.009","74.11","0.009","65.063","0.009","1890.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl N5 Ni2 O12 -","- C36 H40 Cl N5 Ni2 O12 -","- C72 H80 Cl2 N10 Ni4 O24 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1276","0.0585","","","0.0768","0.0894","","","","","","0.93","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205972","11.6795","0.0012","12.8729","0.0014","15.7482","0.0019","66.151","0.009","73.257","0.009","64.351","0.008","1933.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N5 Ni2 O8 P -","- C36 H40 F6 N5 Ni2 O8 P -","- C72 H80 F12 N10 Ni4 O16 P2 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1366","0.0603","","","0.0821","0.0964","","","","","","0.892","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205973","13.7451","0.0005","14.0632","0.0005","22.8343","0.0009","90","","95.607","0.003","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl N5 Ni2 O13 -","- C45 H44 Cl N5 Ni2 O13 -","- C180 H176 Cl4 N20 Ni8 O52 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0755","0.0476","","","0.0971","0.106","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205974","14.8436","0.0013","15.6993","0.0012","17.3575","0.0013","97.492","0.006","97.828","0.007","91.792","0.007","3968","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl3 N11 Ni4 O28 -","- C72 H84 Cl3 N11 Ni4 O28 -","- C144 H168 Cl6 N22 Ni8 O56 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1251","0.0563","","","0.0828","0.0961","","","","","","0.899","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205975","13.8843","0.0008","23.6202","0.001","14.7348","0.0008","90","","114.441","0.004","90","","4399.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl N5 Ni2 O12 -","- C44 H48 Cl N5 Ni2 O12 -","- C176 H192 Cl4 N20 Ni8 O48 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0984","0.0662","","","0.1716","0.1897","","","","","","1.035","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205976","10.9775","0.0009","12.3684","0.0009","12.8226","0.001","63.924","0.005","69.868","0.006","79.319","0.006","1467","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H62 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","1","0.5","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0813","0.0484","","","0.1062","0.1153","","","","","","0.924","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205977","7.4463","0.0005","16.4541","0.0016","25.4253","0.0016","90","","90","","90","","3115.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Au Cr N8 O4 S4 -","- C23 H26 Au Cr N8 O4 S4 -","- C92 H104 Au4 Cr4 N32 O16 S16 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1246","0.0552","","","0.0623","0.0786","","","","","","0.701","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205978","14.6905","0.0008","8.0472","0.0004","15.8688","0.0002","90","","112.929","0.007","90","","1727.74","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Be3 N2 O12 P4 -","- C4 H20 Be3 N2 O12 P4 -","- C16 H80 Be12 N8 O48 P16 -","4","0.5","","Luo, Xiuchao; Luo, Daibing; Gong, Maochu; Chen, Yaoqiang; Lin, Zhien","(C2H8N)2[Be3(HPO3)4]: a low-density beryllium phosphite with large 16-membered rings and helical channels","CrystEngComm","2011","13","11","3646","","10.1039/c1ce05117b","","","0.71073","MoKα","","0.0486","0.0398","","","0.0896","0.0939","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205979","8.0951","0.0012","12.3444","0.0018","15.87","0.002","108.903","0.003","94.498","0.003","102.542","0.002","1445.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Ag F6 N4 O2 P -","- C27 H36 Ag F6 N4 O2 P -","- C54 H72 Ag2 F12 N8 O4 P2 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0983","0.056","","","0.1384","0.1667","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205980","11.475","0.003","17.199","0.005","19.604","0.004","90","","117.849","0.012","90","","3420.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Hg2 I4 N4 O2 S -","- C24 H32 Hg2 I4 N4 O2 S -","- C96 H128 Hg8 I16 N16 O8 S4 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1002","0.0807","","","0.192","0.2077","","","","","","1.002","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205981","20.465","0.006","11.488","0.004","19.833","0.009","90","","115.192","0.004","90","","4219","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C120 H184 Cu4 Hg4 I16 N16 O12 S8 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1232","0.0753","","","0.1843","0.2161","","","","","","1.059","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205982","13.4814","0.0009","15.3581","0.0011","19.0334","0.0013","90","","90","","90","","3940.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hg2 I6 N4 O -","- C26 H36 Hg2 I6 N4 O -","- C104 H144 Hg8 I24 N16 O4 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0382","0.0283","","","0.0627","0.0679","","","","","","0.981","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205983","11.51","0.002","11.811","0.002","15.423","0.003","84.823","0.003","87.271","0.003","81.578","0.003","2064.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Hg2 I3 N4 O4.5 -","- C36 H37 Hg2 I3 N4 O4.5 -","- C72 H74 Hg4 I6 N8 O9 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0801","0.0618","","","0.1653","0.1789","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205984","13.5458","0.0008","18.2469","0.0011","16.9521","0.001","90","","111.154","0.001","90","","3907.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C108 H132 Hg8 I16 N16 O10 S2 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0497","0.0331","","","0.0859","0.0931","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205985","10.0498","0.0011","10.5779","0.0008","11.5045","0.0008","90","","92.026","0.004","90","","1222.23","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Fluorobenzoic acid‒4-acetylpyridine (1/1)","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","","0.035","","","","0.0986","","","","","","1.046","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205986","10.0714","0.0015","10.6513","0.0012","11.632","0.0013","90","","91.677","0.005","90","","1247.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0863","0.0399","","","","0.117","","","","","","1.029","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7205987","7.92","0.0011","6.9633","0.0009","21.918","0.004","90","","95.337","0.005","90","","1203.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0622","0.0405","","","","0.1084","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205988","8.0544","0.0012","6.942","0.001","22.058","0.004","90","","95.99","0.007","90","","1226.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.087","0.0459","","","","0.1314","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205989","10.046","0.002","10.573","0.002","11.461","0.002","90","","91.16","0.02","90","","1217.1","0.4","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0743","0.0743","","","","0.1865","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205990","10.105","0.004","10.734","0.004","11.806","0.004","90","","91.08","0.03","90","","1280.3","0.8","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0952","0.0952","","","","0.2415","","","","","","1.141","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205991","7.9892","0.0015","6.9703","0.0014","21.947","0.004","90","","95.67","0.012","90","","1216.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0962","0.0962","","","","0.2423","","","","","","0.995","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205992","8.2118","0.0011","5.068","0.0007","38.683","0.005","90","","93.264","0.006","90","","1607.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:azelaic acid","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7–9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1217","0.088","","","0.1995","0.225","","","","","","1.185","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205993","8.2223","0.0005","5.1437","0.0003","33.389","0.002","90","","93.873","0.003","90","","1408.9","0.15","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7–9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.0901","0.0557","","","0.1184","0.1337","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205994","8.9413","0.0015","9.5366","0.0013","10.1347","0.0017","86.653","0.011","66.031","0.007","66.571","0.01","719.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Isonicotinamide:suberic acid","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C28 H40 N4 O10 -","2","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7–9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1055","0.0724","","","0.1604","0.1837","","","","","","1.105","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7205995","11.8722","0.0004","12.9955","0.0004","8.1575","0.0002","90","","90","","90","","1258.58","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H4 Cl2 Cs2 N2 O5 -","- C7 H4 Cl2 Cs2 N2 O5 -","- C28 H16 Cl8 Cs8 N8 O20 -","4","0.5","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","0.71073","MoKα","","","0.0579","","","","0.1652","","","","","","0.879","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205996","9.3773","0.0004","9.3823","0.0004","9.9299","0.0004","93.075","0.003","97.838","0.003","118.98","0.004","749.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 Cs O9 -","- C9 H8 Cl3 Cs O9 -","- C18 H16 Cl6 Cs2 O18 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.024","","","","0.0637","","","","","","1.033","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205997","9.8219","0.0002","7.0831","0.0002","19.955","0.0004","90","","90.85","0.002","90","","1388.11","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N4 Na O6 -","- C8 H9 Cl2 N4 Na O6 -","- C32 H36 Cl8 N16 Na4 O24 -","4","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","1.54184","CuKα","","","0.046","","","","0.1223","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205998","9.2357","0.0004","9.2416","0.0004","9.8443","0.0004","92.646","0.003","98.035","0.003","118.378","0.004","725.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 O9 Rb -","- C9 H8 Cl3 O9 Rb -","- C18 H16 Cl6 O18 Rb2 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.0547","","","","0.1583","","","","","","1.067","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205999","29.2672","0.0013","6.2707","0.0002","7.4449","0.0002","90","","95.612","0.004","90","","1359.78","0.08","290","","290","","","","","","","","","5","C 1 2 1","C 2y","5","anilinium sulphate","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.0515","0.0476","","","0.1187","0.1223","","","","1.72","1.72","1.68","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206000","9.412","0.0009","9.0979","0.0007","17.819","0.002","90","","98.053","0.01","90","","1510.8","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Anilinium(1+) selenate dihydrate","","","- C12 H20 N2 O6 Se -","- C12 H20 N2 O6 Se -","- C48 H80 N8 O24 Se4 -","4","0.5","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","0.71073","MoKα","","0.1328","0.0473","","","0.097","0.1133","","","","1.27","1.27","0.92","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206001","29.1811","0.0006","6.3632","0.0001","7.5091","0.0002","90","","94.993","0.002","90","","1389.04","0.05","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","Anilinium(1+) selenate","","","- C12 H16 N2 O4 Se -","- C12 H16 N2 O4 Se -","- C48 H64 N8 O16 Se4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.019","0.0188","","","0.063","0.0631","","","","1.54","1.54","1.54","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206002","13.3163","0.0017","18.059","0.002","21.255","0.003","90","","99.7","0.002","90","","5038.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Fe3 N4 O16 -","- C48 H46 Fe3 N4 O16 -","- C192 H184 Fe12 N16 O64 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.1077","0.0673","","","0.171","0.1974","","","","","","1.017","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206003","11.378","0.005","19.106","0.009","12.234","0.004","90","","121.14","0.03","90","","2276.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N4 Ni3 O14 -","- C46 H46 N4 Ni3 O14 -","- C92 H92 N8 Ni6 O28 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.0957","0.0757","","","0.19","0.2063","","","","","","1.063","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206004","14.6443","0.0014","21.746","0.002","27.654","0.003","90","","95.693","0.005","90","","8763.1","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C182 H202 Ag12 N62 O170 P4 W48 -","4","1","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1031","0.0492","","","0.1046","0.1187","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206005","12.0111","0.0006","13.577","0.0007","22.5735","0.0012","81.18","0.004","78.714","0.004","73.423","0.004","3441.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1287","0.0579","","","0.083","0.0983","","","","","","1.008","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206006","12.3099","0.0014","13.3727","0.0008","13.3738","0.0008","112.618","0.001","97.849","0.001","106.18","0.001","1876.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.074","0.0727","","","0.1919","0.1924","","","","","","1.088","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206007","26.82","0.001","26.82","0.001","15.528","0.001","90","","90","","120","","9673.1","0.8","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.1002","0.0793","","","0.2501","0.2601","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206008","26.903","0.002","26.903","0.002","15.43","0.001","90","","90","","120","","9671.6","1.2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.05","0.0337","","","0.0822","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206009","8.8432","0.0011","18.133","0.002","10.7628","0.0013","90","","111.47","0.003","90","","1606.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 N6 O2 -","- C38 H46 N6 O2 -","- C76 H92 N12 O4 -","2","0.5","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0867","0.0413","","","0.0588","0.0696","","","","","","0.806","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206010","7.1366","0.0004","10.9517","0.0006","33.5506","0.0018","90","","94.278","0.001","90","","2614.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O5 S -","- C28 H34 N4 O5 S -","- C112 H136 N16 O20 S4 -","4","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0823","0.0418","","","0.0655","0.0748","","","","","","0.826","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206011","6.9772","0.0004","10.5977","0.0006","17.178","0.0009","93.904","0.001","90.393","0.001","104.403","0.001","1227.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0626","0.0397","","","0.0926","0.1005","","","","","","0.911","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206012","19.666","0.003","10.4447","0.0015","13.887","0.007","90","","122.89","0.02","90","","2395.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(C10H9.50N3O6.25)","Mn(C10H9.50N3O6.25)","","- C10 H9.5 Mn N3 O6.25 -","- C10 H9 Mn N3 O6.25 -","- C80 H72 Mn8 N24 O50 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0267","0.0246","","","0.0612","0.0627","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206013","18.895","0.004","8.0248","0.0016","17.604","0.004","90","","120.8","0.03","90","","2292.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(H2O)(C10H5N3O4)","Mn(H2O)(C10H5N3O4)","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C80 H56 Mn8 N24 O40 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0702","0.0634","","","0.1697","0.1735","","","","","","0.991","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206014","10.446","0.003","16.862","0.002","7.3912","0.0015","90","","96.063","0.019","90","","1294.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(C10H11N3O7)","Co(C10H11N3O7)","","- C10 H11 Co N3 O7 -","- C10 H9 Co N3 O7 -","- C40 H36 Co4 N12 O28 -","4","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.1204","0.0736","","","0.1881","0.2214","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206015","6.994","0.003","10.99","0.004","12.008","0.005","82.639","0.01","82.527","0.01","71.827","0.009","865.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Co3(C22H36N6O26)","Co3(C22H36N6O26)","","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","1","0.5","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0561","0.0398","","","0.0879","0.0971","","","","","","1.031","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206016","20.0609","0.0003","20.0609","0.0003","37.6855","0.0012","90","","90","","90","","15166.1","0.6","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C210 H330 Cl2 Dy14 N24 O143 S16 -","- C210 H200 Cl2 Dy14 N24 O122 S16 -","- C420 H400 Cl4 Dy28 N48 O244 S32 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.0669","0.0453","","","0.1317","0.1456","","","","","","1.085","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206017","21.7073","0.0005","21.7073","0.0005","22.5476","0.0007","90","","90","","90","","10624.6","0.5","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C127 H222 Cl2 Dy12 N16 O113 -","- C112 H80 Cl2 Dy12 N16 O56 -","- C224 H160 Cl4 Dy24 N32 O112 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.1036","0.0745","","","0.2502","0.2876","","","","","","1.13","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206018","3.6325","0.0006","10.2841","0.0017","10.4812","0.0017","90","","97.379","0.003","90","","388.3","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C8 H12 Cu4 N16 -","4","1","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0798","0.0628","","","0.1324","0.1412","","","","","","1.004","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206019","10.3115","0.0009","10.4977","0.001","14.7439","0.0014","90","","90","","90","","1596","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0545","0.0462","","","0.1102","0.1155","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206020","8.4608","0.0007","10.3198","0.0009","10.5728","0.0009","90","","118.944","0.008","90","","807.84","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C16 H24 Cu8 N32 -","8","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0407","0.0335","","","0.0863","0.0903","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206021","33.6784","0.0009","25.4699","0.0007","19.5175","0.0005","90","","90","","90","","16741.8","0.8","100","2","100","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C60 H72 O8 -","- C60 H68 O8 -","- C720 H816 O96 -","12","1.5","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54178","CuKα","","0.0817","0.065","","","0.1726","0.1841","","","","","","1.042","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206022","17.4504","0.0006","17.4504","0.0006","27.9996","0.0014","90","","90","","120","","7384","0.5","120","2","120","2","","","","","","","","3","P 61","P 61","169","","","","- C56 H66 O9 -","- C56 H66 O9 -","- C336 H396 O54 -","6","1","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54184","CuKα","","0.0294","0.0279","","","0.0764","0.077","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7206023","20.481","0.012","10.09","0.005","13.992","0.008","90","","125.41","0.008","90","","2357","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N2 O4.5 Zn0.5 -","- C13 H8 N2 O4.5 Zn0.5 -","- C104 H64 N16 O36 Zn4 -","8","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0635","0.0508","","","0.098","0.103","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206024","8.233","0.0016","9.1285","0.0016","10.792","0.0016","97.51","0.003","103.711","0.005","112.582","0.006","705","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N2 O6.5 Zn -","- C13 H9 N2 O6.5 Zn -","- C26 H18 N4 O13 Zn2 -","2","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0607","0.0503","","","0.1412","0.1492","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206025","10.07","0.008","11.383","0.008","13.936","0.01","90","","101.955","0.015","90","","1563","2","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C9 H5.5 N1.5 O2 Zn0.5 -","- C9 H5.5 N1.5 O2 Zn0.5 -","- C36 H22 N6 O8 Zn2 -","4","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0909","0.0735","","","0.2487","0.2717","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206026","15.285","0.003","6.467","0.001","16.654","0.002","90","","110.64","0.03","90","","1540.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrabenzylcyclen","1,4,7,10-tetrabenzyl-1,4,7,10-tetraazacyclododecane","","- C36 H44 N4 -","- C36 H44 N4 -","- C72 H88 N8 -","2","0.5","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.0726","0.0488","","","0.121","0.1363","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206027","37.0414","0.0014","11.1521","0.0004","19.2636","0.0007","90","","100.044","0.004","90","","7835.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","","- C36 H55 F7 N4 O4 Si -","- C36 H52.276 F7 N4 O4 Si -","- C288 H418.208 F56 N32 O32 Si8 -","8","1","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.095","0.0399","","","0.0809","0.0896","","","","","","0.841","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206028","16.382","0.0014","10.512","0.0004","21.654","0.002","90","","108.56","0.004","90","","3535","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","(EDTTTFImH)2(CLA)","(EDTTTFImH)2(CLA)","","- C28 H18 Cl2 N4 O4 S12 -","- C28 H18 Cl2 N4 O4 S12 -","- C112 H72 Cl8 N16 O16 S48 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid–base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0479","0.0362","","","0.0865","0.0922","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206029","9.762","0.005","10.467","0.008","10.572","0.007","92.16","0.03","114.66","0.02","112.01","0.02","885.7","1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDTTTFImH)2(CNA)","(EDTTTFImH)2(CNA)","","- C15 H9 N3 O2 S6 -","- C15 H9 N3 O2 S6 -","- C30 H18 N6 O4 S12 -","2","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0451","0.0333","","","0.0892","0.1043","","","","","","1.093","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206030","22.2013","0.0004","30.4426","0.0005","24.1244","0.0005","90","","91.274","0.002","90","","16300.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0828","0.0479","","","0.1135","0.1253","","","","","","0.897","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7206031","22.0259","0.0002","29.9732","0.0002","23.9492","0.0002","90","","90.628","0.001","90","","15810","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0296","0.0206","","","0.0475","0.0487","","","","","","1.038","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26",""
"7206032","12.469","0.003","11.529","0.002","14.906","0.003","90","","91.38","0.03","90","","2142.2","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu I3 N2 -","- C16 H22 Cu I3 N2 -","- C64 H88 Cu4 I12 N8 -","4","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.","Physical chemistry chemical physics : PCCP","2011","13","22","10781","10786","10.1039/c1cp20422j","","","0.71073","MoKα","","0.0844","0.0596","","","0.137","0.1539","","","","","","1.096","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206033","7.7534","0.0016","8.0651","0.0016","18.818","0.004","90","","90","","90","","1176.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C40 H72 N8 O24 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0557","0.0429","","","0.0841","0.0881","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206034","10.5612","0.0014","8.4166","0.0005","15.8706","0.0019","90","","107.86","0.004","90","","1342.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.1714","0.0734","","","0.1142","0.1447","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206035","5.8353","0.0003","9.651","0.0006","12.8178","0.001","90","","90","","90","","721.85","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0637","0.0476","","","0.0991","0.1065","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206036","6.0475","0.0007","7.8473","0.001","11.2904","0.0012","90","","97.541","0.007","90","","531.17","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","0.5","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0985","0.0637","","","0.1325","0.1458","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206037","3.9045","0.0004","11.5645","0.0017","5.1679","0.0007","90","","96.461","0.008","90","","231.87","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","0.5","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0417","0.0367","","","0.0852","0.0875","","","","","","1.083","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206038","4.6835","0.0004","9.2616","0.0008","23.4038","0.0016","90","","90","","90","","1015.18","0.14","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","syn-(3S,4R)-3,4-dihydroxy-4-(4-nitrophenyl)butan-2-one","<i>syn</i>-(3<i>S</i>,4<i>R</i>)-3,4-dihydroxy- 4-(4-nitrophenyl)butan-2-one","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Czarnecki, Paweł; Plutecka, Agnieszka; Gawroński, Jacek; Kacprzak, Karol","Simple and practical direct asymmetric aldol reaction of hydroxyacetone catalyzed by 9-amino Cinchona alkaloid tartrates","Green Chemistry","2011","13","5","1280","","10.1039/c1gc15064b","","","1.54184","CuKα","","0.0257","0.0256","","","0.0687","0.0688","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:07:26",""
"7206071","4.05818","0.000052","13.94699","0.00017","12.42233","0.00017","90","","90.6948","0.0013","90","","703.045","0.016","400","","400","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","2.055","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206072","4.01653","0.0001","13.944","0.0002","12.3686","0.0002","90","","90.526","0.001","90","","692.69","0.02","298","","298","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.873","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206073","6.58904","0.000079","8.60622","0.00011","16.25227","0.00021","89.7895","0.001","89.4785","0.00091","79.0643","0.0011","904.84","0.02","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","3.839","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206074","6.585083","0.000072","8.604378","0.000094","16.26256","0.00017","89.7706","0.00071","89.4765","0.00062","79.1189","0.00068","904.839","0.017","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","3.292","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206075","3.785","","3.785","","9.5196","","90","","90","","90","","136.38","","298","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium oxide","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Rezaee, Masih; Mousavi Khoie, Seyyed Mohammad; Liu, Kun Hua","The role of brookite in mechanical activation of anatase-to-rutile transformation of nanocrystalline TiO2: An XRD and Raman spectroscopy investigation","CrystEngComm","2011","13","16","5055","","10.1039/c1ce05185g","","","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206076","6.1078","0.0002","9.0766","0.0003","30.1945","0.0011","90","","92.094","0.003","90","","1672.81","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-[(2-biphenylamino)methylen]naphtalen-2(1H)-one","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.1223","0.0528","","","0.0995","0.1174","","","","","","0.949","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206077","25.3539","0.001","9.1936","0.0002","15.1458","0.0006","90","","106.93","0.004","90","","3377.4","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]copper(II)","","","- C46 H32 Cu N2 O2 -","- C46 H32 Cu N2 O2 -","- C184 H128 Cu4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0315","0.0275","","","0.0794","0.0804","","","","","","1.158","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206078","25.3808","0.0013","8.8392","0.0004","16.2656","0.001","90","","105.756","0.006","90","","3512","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]cobalt(II)","","","- C46 H32 Co N2 O2 -","- C46 H32 Co N2 O2 -","- C184 H128 Co4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0685","0.0409","","","0.0979","0.1039","","","","","","0.908","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206079","5.977","0.002","17.481","0.006","14.845","0.005","90","","93.708","0.006","90","","1547.8","0.9","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1369","0.0668","","","0.1467","0.1957","","","","","","0.85","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206080","10.9252","0.0011","12.8444","0.0011","12.9669","0.0013","81.473","0.004","85.56","0.004","82.793","0.004","1782.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1689","0.052","","","0.1187","0.1929","","","","","","0.895","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206081","21.82","0.06","6.006","0.018","34.11","0.1","90","","95.12","0.18","90","","4452","2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C224 H256 O16 -","8","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.3075","0.0859","","","0.1637","0.2571","","","","","","0.97","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206082","29.898","0.002","6.0728","0.0003","20.9859","0.0012","90","","110.252","0.003","90","","3574.7","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 O2 -","- C23 H25 O2 -","- C184 H200 O16 -","8","1","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.0636","0.0472","","","0.1419","0.158","","","","","","1.169","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206083","7.0471","0.0012","11.314","0.002","11.747","0.002","86.321","0.003","83.933","0.003","72.684","0.003","888.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.044","0.034","","","0.0762","0.0791","","","","","","0.969","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206084","7.0459","0.001","11.857","0.0017","11.8501","0.0017","84.482","0.002","84.484","0.002","72.251","0.002","936.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0769","0.0783","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206085","8.319","0.002","16.294","0.003","9.718","0.002","90","","117.5","0.03","90","","1168.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-Acetyl-anthracene","9-Acetyl-anthracene","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1147","0.0417","","","0.0868","0.0993","","","","","","0.769","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206086","11.368","0.002","15.431","0.003","15.462","0.003","90","","90","","90","","2712.3","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Isopropyl anthracene-9-carboxylate dimer","","","- C36 H32 O4 -","- C36 H32 O4 -","- C144 H128 O16 -","4","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1447","0.0734","","","0.1841","0.2109","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206087","9.919","0.002","8.734","0.002","18.506","0.003","90","","116.75","0.03","90","","1431.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl anthracene-9-carboxylate","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.126","0.0615","","","0.1538","0.1757","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206088","9.585","0.002","13.733","0.003","9.025","0.002","90","","98.09","0.03","90","","1176.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Carbomethoxy-anthracene dimer","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0725","0.0412","","","0.0925","0.1087","","","","","","0.993","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206089","7.858","0.002","8.578","0.002","11.474","0.002","87.89","0.02","80.43","0.02","67.09","0.02","702.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-carbopropoxy-anthracene","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1494","0.0831","","","0.2391","0.2797","","","","","","1.119","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206090","26.69","0.005","7.591","0.001","16.814","0.003","90","","122.01","0.03","90","","2888.6","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Isopropyl anthracene-9-carboxylate","Isopropyl anthracene-9-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0977","0.0605","","","0.1543","0.1689","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206091","8.496","0.002","9.22","0.002","10.151","0.003","85.09","0.02","70.74","0.02","69.22","0.02","701.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-carbopropoxy-anthracene dimer","","- C36 H32 O4 -","- C36 H32 O4 -","- C36 H32 O4 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0682","0.0441","","","0.1208","0.1317","","","","","","0.883","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206092","9.323","0.002","10.17","0.003","14.499","0.003","109.54","0.02","98.57","0.03","95.02","0.03","1267.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0917","0.0434","","","0.1056","0.1211","","","","","","0.961","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206093","9.341","0.002","10.333","0.003","14.545","0.004","109.68","0.02","99.28","0.03","96.19","0.03","1284.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.2073","0.0816","","","0.1876","0.2123","","","","","","1.261","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206094","9.375","0.002","10.734","0.003","29.95","0.006","90","","90","","90","","3013.9","1.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.072","0.0549","","","0.1433","0.1563","","","","","","1.055","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206095","9.375","0.0015","10.7698","0.0019","29.857","0.004","90","","90","","90","","3014.6","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.85 N O4 -","- C132 H155.4 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.0939","0.0725","","","0.1971","0.217","","","","","","1.108","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206096","9.3769","0.0013","10.8131","0.0018","29.707","0.004","90","","90","","90","","3012.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.784 N O4 -","- C132 H155.136 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1057","0.0778","","","0.2152","0.2411","","","","","","1.128","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206097","9.382","0.002","10.864","0.003","29.571","0.007","90","","90","","90","","3014.1","1.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.713 N O4 -","- C132 H154.852 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1344","0.0873","","","0.2281","0.2658","","","","","","1.15","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206098","9.3702","0.0013","11.016","0.002","29.134","0.005","90","","90","","90","","3007.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.444 N O4 -","- C132 H153.776 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1574","0.1011","","","0.2707","0.3158","","","","","","1.222","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206099","9.3364","0.0013","11.1836","0.0019","28.721","0.005","90","","90","","90","","2998.9","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.331 N O4 -","- C132 H153.324 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1461","0.0924","","","0.2534","0.2981","","","","","","1.183","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206100","9.3006","0.0012","11.3515","0.0016","28.334","0.004","90","","90","","90","","2991.4","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.201 N O4 -","- C132 H152.804 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1245","0.0816","","","0.2102","0.2429","","","","","","1.155","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206101","9.2818","0.0015","11.418","0.002","28.183","0.005","90","","90","","90","","2986.8","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.188 N O4 -","- C132 H152.752 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1173","0.0802","","","0.2164","0.2464","","","","","","1.142","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206102","9.2671","0.0014","11.4608","0.0018","28.078","0.004","90","","90","","90","","2982.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.126 N O4 -","- C132 H152.504 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1108","0.0772","","","0.2002","0.2259","","","","","","1.166","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206103","9.2515","0.0016","11.479","0.002","28.054","0.005","90","","90","","90","","2979.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.121 N O4 -","- C132 H152.484 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1085","0.0747","","","0.1956","0.2239","","","","","","1.141","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206104","9.2509","0.0016","11.481","0.002","28.074","0.005","90","","90","","90","","2981.7","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1018","0.0668","","","0.1559","0.1781","","","","","","1.127","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206105","22.093","0.004","9.3747","0.0019","28.939","0.006","90","","90","","90","","5994","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.334 N O4 -","- C264 H306.672 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1016","0.076","","","0.1992","0.2226","","","","","","1.098","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206106","22.121","0.004","9.3817","0.0018","28.942","0.005","90","","90","","90","","6006.4","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.18 N O4 -","- C264 H305.44 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1058","0.0745","","","0.1906","0.2178","","","","","","1.106","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206107","22.142","0.004","9.3891","0.0017","28.954","0.005","90","","90","","90","","6019.3","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H37.98 N O4 -","- C264 H303.84 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1143","0.0774","","","0.198","0.2291","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206108","22.179","0.004","9.3739","0.0017","28.978","0.006","90","","90","","90","","6025","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.2155 N O4 -","- C264 H305.724 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1307","0.0878","","","0.2321","0.2715","","","","","","1.127","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206109","22.199","0.004","9.37","0.0017","29.003","0.006","90","","90","","90","","6033","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.5385 N O4 -","- C264 H308.308 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1427","0.091","","","0.2415","0.2889","","","","","","1.145","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206110","8.189","0.0007","10.9898","0.0009","17.93","0.002","90","","105.346","0.009","90","","1556.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 - hydroxypyridine)molybdenum(VI)","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 -hydroxypyridine)molybdenum(VI)","","- C14 H14 Mo N2 O6 -","- C14 H14 Mo N2 O6 -","- C56 H56 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0357","0.024","","","0.0593","0.0616","","","","","","0.923","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206111","8.0992","0.0016","11.4036","0.0011","17.993","0.003","90","","99.474","0.016","90","","1639.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI)","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI)","","- C15 H16 Mo N2 O6 -","- C15 H16 Mo N2 O6 -","- C60 H64 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.073","0.0331","","","0.0702","0.0777","","","","","","1.018","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206112","7.7894","0.0004","10.0907","0.0007","12.5937","0.0005","86.293","0.004","81.553","0.004","69.096","0.005","914.61","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)(propanol)molybdenum(VI)","cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)(propanol)molybdenum(VI)","","- C16 H18 Mo N2 O6 -","- C16 H18 Mo N2 O6 -","- C32 H36 Mo2 N4 O12 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0596","0.0461","","","0.1207","0.1259","","","","","","0.982","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206113","8.8879","0.0003","14.5134","0.0005","16.4716","0.0006","90","","90.433","0.003","90","","2124.67","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","","- C21 H20 Mo N4 O5 -","- C21 H20 Mo N4 O5 -","- C84 H80 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0877","0.0361","","","0.0579","0.067","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206114","7.5668","0.0003","19.3973","0.0007","14.5305","0.0006","90","","116.626","0.003","90","","1906.55","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate","","- C18 H17 Mo N5 O5 -","- C18 H17 Mo N5 O5 -","- C72 H68 Mo4 N20 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.072","0.0333","","","0.0552","0.0615","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206115","7.4565","0.0004","17.8707","0.0014","12.2079","0.0009","90","","93.021","0.006","90","","1624.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI)","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI)","","- C16 H14 Mo N4 O5 -","- C16 H14 Mo N4 O5 -","- C64 H56 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0338","0.0241","","","0.0605","0.0625","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206116","11.7871","0.0006","12.8269","0.0007","13.8071","0.0006","108.49","0.005","94.104","0.004","113.811","0.005","1762.67","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI)","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI)","","- C36 H28 Mo2 N6 O10 -","- C36 H28 Mo2 N6 O10 -","- C72 H56 Mo4 N12 O20 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0719","0.0396","","","0.0983","0.1045","","","","","","0.94","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206117","12.342","0.0012","13.4804","0.0009","17.3437","0.0016","90","","131.638","0.006","90","","2156.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","","- C38 H32 Cl4 Mo2 N6 O10 -","- C38 H32 Cl4 Mo2 N6 O10 -","- C76 H64 Cl8 Mo4 N12 O20 -","2","0.5","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal–ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0522","0.0348","","","0.0896","0.0933","","","","","","0.94","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206118","15.725","0.001","15.839","0.002","7.4203","0.0007","90","","84.225","0.002","90","","1838.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 N O3 Ru -","- C16 H21 Cl2 N O3 Ru -","- C64 H84 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.0338","0.0267","","","0.0767","0.0852","","","","","","1.144","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206119","15.0199","0.0009","7.2739","0.0004","15.4998","0.001","90","","95.452","0.005","90","","1685.74","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.045","0.0343","","","0.0881","0.0943","","","","","","1.057","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206120","14.7083","0.001","15.0887","0.001","7.72552","0.00049","90","","98.0506","0.004","90","","1697.62","0.19","373","","373","","","","","","","","Phase transition","6","P 1 21/c 1","-P 2ybc","14","((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206121","14.0995","0.001","14.0995","0.001","20.05","0.002","90","","90","","120","","3451.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H32 Cu2 N2 O12 -","- C54 H32 Cu2 N2 O12 -","- C162 H96 Cu6 N6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0836","0.0671","","","0.178","0.1931","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206122","14.096","0.005","14.096","0.005","20.062","0.005","90","0.005","90","0.005","120","0.005","3452.2","1.9","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H14.33 N2 Ni2 O13 -","- C54 H32 N2 Ni2 O12 -","- C162 H96 N6 Ni6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71069","MoKα","","0.0966","0.0754","","","0.1947","0.2128","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206123","14.9031","0.0007","18.2115","0.0006","18.371","0.0005","94.803","0.002","101.6","0.003","113.983","0.004","4385.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","1","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0943","0.0466","","","0.0955","0.1029","","","","","","0.859","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206124","8.4874","0.0012","17.602","0.002","21.025","0.003","90","","100.048","0.002","90","","3092.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N6 O8 -","- C32 H32 Cu N6 O8 -","- C128 H128 Cu4 N24 O32 -","4","1","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0654","0.041","","","0.0908","0.1006","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206125","21.837","0.002","16.5073","0.0014","7.2252","0.0006","90","","90","","90","","2604.5","0.4","100","2","100","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","","0.71075","MoKα","","0.0392","0.0358","","","0.1","0.1101","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206126","21.845","0.002","16.5081","0.0013","7.2355","0.0006","90","","90","","90","","2609.3","0.4","120","2","120","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0378","0.0359","","","0.0926","0.0948","","","","","","1.086","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206127","21.859","0.002","16.5084","0.0014","7.2459","0.0006","90","","90","","90","","2614.7","0.4","140","2","140","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0419","0.0384","","","0.1047","0.1144","","","","","","1.138","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206128","21.879","0.009","16.52","0.007","7.263","0.003","90","","90","","90","","2625.1","1.9","160","2","160","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0386","","","0.1053","0.1169","","","","","","1.171","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206129","21.889","0.002","16.5223","0.0014","7.275","0.0006","90","","90","","90","","2631.1","0.4","180","2","180","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0391","","","0.1066","0.1172","","","","","","1.141","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206130","21.893","0.01","16.515","0.007","7.283","0.003","90","","90","","90","","2633","2","200","2","200","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0463","0.0415","","","0.1137","0.1243","","","","","","1.162","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206131","21.893","0.002","16.5073","0.0018","7.299","0.0007","90","","90","","90","","2637.8","0.5","220","2","220","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0469","0.0408","","","0.1118","0.1238","","","","","","1.161","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206132","21.926","0.01","16.514","0.008","7.31","0.003","90","","90","","90","","2647","2","240","2","240","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0498","0.044","","","0.1196","0.1305","","","","","","1.16","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206133","21.969","0.002","16.485","0.002","7.3209","0.0009","90","","90","","90","","2651.3","0.5","260","2","260","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0511","0.0439","","","0.1178","0.1305","","","","","","1.162","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206134","21.942","0.002","16.515","0.002","7.3435","0.0008","90","","90","","90","","2661.1","0.5","280","","280","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0551","0.0471","","","0.1262","0.1393","","","","","","1.182","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206135","21.84","0.002","16.506","0.0017","7.2541","0.0007","90","","90","","90","","2615","0.4","150","","150","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0458","0.0401","","","0.1095","0.1262","","","","","","1.19","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206136","6.778","0.0014","7.038","0.0014","15.05","0.003","96.59","0.03","98.42","0.03","105.27","0.03","676.2","0.3","150","","150","2","","","","","","","see text","4","P -1","-P 1","2","Pyrazinecarboxamide:4-aminosalicylic acid co-crystal hydrate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C24 H28 N8 O10 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.1284","0.063","","","0.1318","0.1792","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206137","7.0768","0.0006","8.1099","0.0006","15.1128","0.0012","76.138","0.011","82.477","0.01","70.923","0.01","794.54","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0327","0.0241","","","0.0658","0.0822","","","","","","1.14","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206138","7.6088","0.0005","7.697","0.0005","14.1513","0.0009","99.02","0.003","93.382","0.003","105.947","0.003","782.46","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0869","0.0312","","","0.0679","0.0814","","","","","","0.866","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206139","39.119","0.005","6.1713","0.0008","12.324","0.002","90","","92.106","0.016","90","","2973.2","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F8 I4 N2 -","- C26 H16 F8 I4 N2 -","- C104 H64 F32 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0505","0.0302","","","0.0688","0.0798","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206140","13.98","0.002","7.108","0.0009","15.52","0.002","90","","101.51","0.02","90","","1511.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I6 N2 -","- C24 H22 I6 N2 -","- C48 H44 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.061","0.0352","","","0.0708","0.0852","","","","","","1.041","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206141","9.5397","0.001","11.3337","0.0011","17.3668","0.0016","90","","90","","90","","1877.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I4 N2 -","- C12 H14 I4 N2 -","- C48 H56 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0217","0.0169","","","0.036","0.037","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206142","7.2715","0.0008","12.498","0.0016","14.3479","0.0018","104.8","0.016","99.824","0.017","102.526","0.017","1194.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I7 N2 -","- C12 H14 I7 N2 -","- C24 H28 I14 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0521","0.0324","","","0.0696","0.0791","","","","","","1.013","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206143","9.77","0.002","7.3538","0.0014","14.749","0.003","90","","92.324","0.015","90","","1058.8","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 I6 N2 -","- C12 H14 I6 N2 -","- C24 H28 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.025","0.0195","","","0.04","0.0416","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206144","7.3666","0.0009","7.5376","0.0009","26.01","0.003","89.788","0.006","86.141","0.007","70.266","0.006","1356.1","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I9 N2 -","- C12 H14 I9 N2 -","- C24 H28 I18 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0817","0.0399","","","0.0951","0.1182","","","","","","1.024","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206145","5.8638","0.0012","5.0832","0.0011","10.708","0.002","90","","92.124","0.016","90","","318.95","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitronitrosobenzene","4-nitronitrosobenzene","","- C6 H4 N2 O3 -","- C6 H4 N1.998 O2.998 -","- C12 H8 N3.996 O5.996 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.0658","0.0502","","","0.1085","0.1161","","","","","","1.295","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206146","3.735","0.002","6.533","0.006","13.51","0.009","90","","98.38","0.06","90","","326.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloronitrosobenzene","","- C6 H4 Cl N O -","- C3 H2 Cl0.5 N0.5 O0.606 -","- C6 H4 Cl N O1.212 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.1377","0.0796","","","0.1634","0.1989","","","","","","1.272","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206147","22.0053","0.0005","22.0053","0.0005","76.102","0.004","90","","90","","120","","31914","2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C90 H72 Cu4.5 N18 O40 P W12 -","- C90 H48 Cu4.5 N18 O40 P W12 -","- C1080 H576 Cu54 N216 O480 P12 W144 -","12","0.333333","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1275","0.1411","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206148","15.22","0.0008","15.9213","0.0008","18.079","0.001","74.933","0.001","74.646","0.001","66.294","0.001","3809.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0709","0.0512","","","0.1451","0.1609","","","","","","1.042","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206149","15.092","0.005","15.819","0.005","17.992","0.006","74.792","0.005","74.347","0.005","66.22","0.005","3727","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H100 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.1389","0.1053","","","0.2554","0.2807","","","","","","1.03","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206150","11.0794","0.0002","11.1586","0.0002","11.8673","0.0002","82.422","0.0017","88.3512","0.0017","88.9145","0.0014","1453.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","1","0.5","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.1576","0.0393","","","0.0812","0.1008","","","","1.79","1.79","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206151","15.1257","0.0001","15.5606","0.0001","24.7564","0.0002","90","","90","","90","","5826.79","0.07","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C27 H26 Cu2 I3 O P -","- C27 H26 Cu2 I3 O P -","- C216 H208 Cu16 I24 O8 P8 -","8","1","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.0379","0.034","","","0.1075","0.1092","","","","1.85","1.85","1.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206152","43.444","0.008","7.254","0.002","9.702","0.002","90","","92.54","0.02","90","","3054.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(ii)","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(II)","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C128 H184 Cu4 N8 O16 -","4","0.5","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.0595","0.0414","","","0.0874","0.0935","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206153","19.521","0.002","14.028","0.002","12.066","0.003","90","","99.2","0.02","90","","3261.7","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N'-(o-phenylene)bis(4- hexyloxysalicylideneiminato)copper(ii) dichloromethane solvate","N,N'-(o-phenylene)bis(4-hexyloxysalicylideneiminato)copper(II) dichloromethane solvate","","- C33 H40 Cl2 Cu N2 O4 -","- C33 H40 Cl2 Cu N2 O4 -","- C132 H160 Cl8 Cu4 N8 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.2237","0.0862","","","0.1913","0.2613","","","","","","1.078","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206154","14.94","0.006","5.532","0.002","42.014","0.002","90","","90.754","0.007","90","","3472.1","1.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(ii)","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(II)","","- C40 H54 N2 Ni O4 -","- C40 H54 N2 Ni O4 -","- C160 H216 N8 Ni4 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.1352","0.1134","","","0.2199","0.2304","","","","","","1.257","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206155","10.2393","0.0003","11.7244","0.0004","11.8311","0.0004","93.936","0.003","97.847","0.003","114.58","0.003","1267.05","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0225","0.018","","","0.0441","0.0449","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206156","10.5322","0.0003","11.4529","0.0003","11.6939","0.0003","92.916","0.002","95.266","0.002","114.822","0.003","1268.6","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato- O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic–inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0202","0.0158","","","0.0394","0.0401","","","","","","0.943","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206157","11.0325","0.0003","11.0829","0.0004","14.1157","0.0005","100.866","0.003","105.795","0.003","112.231","0.003","1452.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic–inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0201","0.0148","","","0.037","0.0377","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206158","10.565","0.0003","11.5974","0.0003","12.5744","0.0003","89.039","0.002","72.454","0.002","68.084","0.002","1354.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic–inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0423","0.0428","","","","","","1.107","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206159","11.2754","0.0008","7.9268","0.0005","29.789","0.002","90","","94.231","0.006","90","","2655.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","","- C34 H44 Mo8 N8 O31 -","- C34 H44 Mo8 N8 O31 -","- C68 H88 Mo16 N16 O62 -","2","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.063","0.0444","","","0.0758","0.0796","","","","","","1.173","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206160","10.257","0.0002","10.4104","0.0002","15.5335","0.0003","91.935","0.001","97.17","0.002","95.19","0.001","1637.24","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic–inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0209","0.0197","","","0.0501","0.0507","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206161","8.7411","0.001","8.7411","0.001","4.474","0.0009","90","","90","","90","","341.84","0.09","148","2","148","2","","","","","","","","3","P -4 21 c","P -4 2n","114","formaldehyde","formaldehyde","","- C H2 O -","- C H2 O -","- C8 H16 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0338","0.0252","","","0.0599","0.062","","","","","","0.953","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206162","8.7855","0.0006","8.5307","0.0006","8.6148","0.0007","90","","90.207","0.004","90","","645.64","0.08","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylformamide","N-methylformamide","","- C2 H5 N O -","- C2 H5 N O -","- C16 H40 N8 O8 -","8","2","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0357","0.0335","","","0.0921","0.0938","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206163","7.134","0.008","9.694","0.011","9.93","0.01","90","","90","","90","","686.7","1.3","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0751","0.035","","","0.07","0.0822","","","","","","0.926","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206164","18.7033","0.0013","25.8907","0.0018","9.8896","0.0006","90","","90","","90","","4789","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 N12 O Ru2 -","- C52 H48 N12 O Ru2 -","- C208 H192 N48 O4 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2126","0.0769","","","0.1835","0.2572","","","","","","0.952","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206165","18.7417","0.0015","25.884","0.002","9.8779","0.0008","90","","90","","90","","4791.9","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H40 N12 Ru2 -","- C48 H40 N12 Ru2 -","- C192 H160 N48 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1845","0.0759","","","0.175","0.2117","","","","","","0.839","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206166","15.028","0.002","15.028","0.002","21.962","0.004","90","","90","","90","","4959.9","1.3","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H44 Cl N8 O5.25 Ru2 -","- C52 H44 Cl N8 O4.92 Ru2 -","- C208 H176 Cl4 N32 O19.68 Ru8 -","4","0.25","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1307","0.0471","","","0.1055","0.1679","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206167","14.2592","0.0008","14.2608","0.0008","30.4171","0.0018","90","","90","","90","","6185.2","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","0.5","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2048","0.0778","","","0.2314","0.3492","","","","","","0.987","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206169","12.2028","0.0012","12.6711","0.0012","17.5676","0.0013","90","","131.125","0.004","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N12 Ru -","- C18 H15 N12 Ru -","- C72 H60 N48 Ru4 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0508","0.0398","","","0.0976","0.1033","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206170","8.1","0.0008","22.692","0.002","12.049","0.0013","90","","96.852","0.002","90","","2198.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Co N12 O3 -","- C18 H21 Co N12 O3 -","- C72 H84 Co4 N48 O12 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0651","0.0577","","","0.132","0.1364","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206171","12.625","0.0012","20.431","0.002","33.166","0.003","90","","90","","90","","8554.9","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H31 Co2 N24 O -","- C37.998 H31 Co2 N24 O -","- C303.984 H248 Co16 N192 O8 -","8","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0856","0.0529","","","0.1313","0.1477","","","","","","1.063","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206172","12.797","0.003","17.007","0.003","8.2934","0.0017","90","","97.8","0.03","90","","1788.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0808","0.0631","","","0.118","0.1248","","","","","","1.254","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206173","9.3916","0.0019","11.835","0.002","16.208","0.003","90","","95.66","0.03","90","","1792.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0598","0.0458","","","0.0989","0.1047","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206174","3.8431","0.0004","20.241","0.002","11.3553","0.0011","90","","95.841","0.002","90","","878.72","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-5-methyl-4H-chromen-4-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π–π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.0356","","","0.0988","0.1002","","","","","","1.132","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206175","7.2934","0.0018","13.423","0.003","9.151","0.002","90","","103.183","0.003","90","","872.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π–π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.035","","","0.0952","0.0976","","","","","","1.086","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206176","27.994","0.004","27.994","0.004","19.391","0.006","90","","90","","90","","15196","6","223","2","223","2","","","","","","","","6","I 41","I 4bw","80","","","","- C96 H157 Cl N56 O63 Rb2 -","- C96 H96 Cl N56 O38 Rb2 -","- C384 H384 Cl4 N224 O152 Rb8 -","4","0.5","","Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang","Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril","CrystEngComm","2011","13","16","5105","","10.1039/c1ce05048f","","","0.71073","MoKα","","0.1023","0.0693","","","0.1835","0.1997","","","","","","0.968","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206177","7.3339","0.0013","18.292","0.003","7.0915","0.0012","90","","108.824","0.004","90","","900.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Br2 N2 O2 -","- C12 H34 Br2 N2 O2 -","- C24 H68 Br4 N4 O4 -","2","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.02","0.0172","","","0.0441","0.0453","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206178","7.4621","0.001","8.1058","0.0011","8.4022","0.0011","94.013","0.01","116.002","0.012","99.107","0.011","445.42","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","1","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0253","0.0232","","","0.0617","0.0628","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206179","21.45","0.004","7.3232","0.001","7.1474","0.0011","90","","92.31","0.02","90","","1121.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br6 N2 -","- C12 H30 Br6 N2 -","- C24 H60 Br12 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0751","0.0328","","","0.0723","0.0869","","","","","","1.001","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206180","22.361","0.003","7.5412","0.0012","7.1251","0.001","90","","91.388","0.012","90","","1201.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Cl2 I4 N2 -","- C12 H32 Cl2.0086 I4.0086 N2 -","- C24 H64 Cl4.0172 I8.0172 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.04","0.0266","","","0.0594","0.0646","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206181","21.8","0.003","7.2927","0.001","6.8951","0.001","90","","91.743","0.012","90","","1095.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br4.25 Cl1.75 N2 -","- C12 H30 Br4.252 Cl1.748 N2 -","- C24 H60 Br8.504 Cl3.496 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0428","0.0243","","","0.0509","0.0563","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206182","23.702","0.003","33.368","0.005","20.051","0.003","90","","90","","90","","15858","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C104 H164 I6 K6 N60 O67 -","- C104 H102 I6 K6 N60 O47 -","- C416 H408 I24 K24 N240 O188 -","4","0.5","","Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.","Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material","CrystEngComm","2011","13","16","5049","","10.1039/c1ce05051f","","","0.71073","MoKα","","0.1064","0.0575","","","0.1411","0.1582","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206183","7.9017","0.0016","27.456","0.006","32.408","0.007","90","","95.03","0.03","90","","7004","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H22 Mn2 N6 O17 -","- C33.5 H17 Mn2 N6 O17 -","- C268 H136 Mn16 N48 O136 -","8","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0796","0.0615","","","0.1426","0.1525","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206184","12.803","0.003","12.071","0.002","28.433","0.006","90","","91.13","0.03","90","","4393.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Co2.5 N7 O20 -","- C39 H15 Co2.5 N8 O20 -","- C156 H60 Co10 N32 O80 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.1298","0.0954","","","0.2576","0.2759","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206185","11.6736","0.0004","28.3206","0.0008","13.208","0.0003","90","","106.597","0.002","90","","4184.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cu2.5 N8 O18 -","- C39 H31 Cu2.5 N8 O18 -","- C156 H124 Cu10 N32 O72 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0684","0.0342","","","0.0786","0.0992","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206186","10.821","0.002","13.85","0.003","14.788","0.003","70.17","0.03","82.92","0.03","85.58","0.03","2067.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 N8 O17 Zn2.5 -","- C39 H29 N8 O17 Zn2.5 -","- C78 H58 N16 O34 Zn5 -","2","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0422","0.0373","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206187","26.082","0.005","10.575","0.002","14.788","0.003","90","","103.53","0.03","90","","3965.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd2 N8 O16 -","- C39 H28 Cd2 N8 O16 -","- C156 H112 Cd8 N32 O64 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0293","0.0234","","","0.0499","0.0519","","","","","","1.028","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206188","10.534","0.004","11.3","0.004","12.661","0.005","101.901","0.005","108.73","0.005","99.044","0.004","1355.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0435","0.0372","","","0.0988","0.1039","","","","","","1.032","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206189","10.523","0.003","11.184","0.003","12.7","0.003","102.98","0.003","109.329","0.003","97.766","0.003","1338.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0339","0.0288","","","0.0742","0.0786","","","","","","1.021","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206190","10.5152","0.0005","11.1058","0.0005","12.7396","0.0006","103.891","0.002","109.709","0.002","96.684","0.002","1327.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0357","0.0318","","","0.085","0.0882","","","","","","1.027","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206191","10.5226","0.0009","11.0545","0.0009","12.7711","0.0011","103.826","0.001","110.024","0.001","96.602","0.001","1323.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0463","0.0348","","","0.0853","0.0923","","","","","","1.012","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206192","10.5507","0.0009","10.9265","0.001","12.8978","0.0011","103.184","0.001","111.147","0.001","96.566","0.001","1318.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.044","0.0363","","","0.0821","0.087","","","","","","1.039","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206193","7.9911","0.0001","9.675","0.0002","12.5109","0.0003","69.055","0.003","81.27","0.003","73.033","0.003","862.81","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C28 H36 N8 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.052","0.0458","","","0.1235","0.1299","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206194","4.7271","0.0001","16.0239","0.0003","22.645","0.0004","90","","93.75","0.003","90","","1711.61","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiphanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0898","0.055","","","0.112","0.1283","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206195","16.0607","0.0002","17.4629","0.0002","8.456","0.0001","90","","111.432","0.003","90","","2207.63","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O5 S2 -","- C17 H24 N4 O5 S2 -","- C68 H96 N16 O20 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0393","0.0359","","","0.0936","0.0967","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206196","15.5158","0.0003","18.0503","0.0004","8.5922","0.0002","90","","112.739","0.003","90","","2219.34","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Cl3 N4 O4 S2 -","- C15 H19 Cl3 N4 O4 S2 -","- C60 H76 Cl12 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0893","0.0755","","","0.1918","0.2058","","","","","","1.034","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206197","16.8293","0.0003","17.0275","0.0003","8.2545","0.0002","90","","111.119","0.003","90","","2206.54","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0704","0.0633","","","0.1799","0.187","","","","","","1.105","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206198","9.2924","0.0002","11.707","0.0003","12.1305","0.0003","65.555","0.002","68.864","0.002","76.329","0.003","1114.6","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C36 H52 N8 O12 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0575","0.0444","","","0.1089","0.1175","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206199","8.8104","0.0009","11.3513","0.0013","12.5","0.002","66.635","0.007","77.989","0.006","77.883","0.005","1111.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N5 O4 S2 -","- C19 H23 N5 O4 S2 -","- C38 H46 N10 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","0.71073","MoKα","","0.0757","0.053","","","0.0985","0.1096","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206200","11.7631","0.0002","11.7631","0.0002","48.5257","0.0008","90","","90","","90","","6714.5","0.2","173","2","173","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C56 H70 N12 O12 S6 -","- C56 H70 N12 O12 S6 -","- C224 H280 N48 O48 S24 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0631","0.0434","","","0.0987","0.1084","","","","","","1.043","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206201","10.7333","0.0005","11.8079","0.0007","16.2174","0.0012","95.293","0.003","100.405","0.004","113.044","0.004","1829.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","2","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0963","0.0603","","","0.1413","0.1633","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206202","16.1404","0.0003","17.3754","0.0003","8.2332","0.0002","90","","110.996","0.003","90","","2155.66","0.09","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl2 N4 O4 S2 -","- C15 H20 Cl2 N4 O4 S2 -","- C60 H80 Cl8 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.1739","0.1591","","","0.4149","0.422","","","","","","1.172","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206203","10.6942","0.0002","5.73","0.0001","15.4546","0.0005","90","","108.438","0.0009","90","","898.41","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0451","0.0285","","","0.0715","0.0759","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206204","5.6857","0.0001","15.0893","0.0004","10.3687","0.0003","90","","92.8634","0.0008","90","","888.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0509","0.0299","","","0.0723","0.0765","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206205","7.7821","0.0016","7.0635","0.0014","11.62","0.002","90","","90","","90","","638.7","0.2","296","2","296","2","1300000","","1300000","","","","","4","P b c a","-P 2ac 2ab","61","chloroacetonitrile","chloroacetonitrile","","- C2 H2 Cl N -","- C2 H2 Cl N -","- C16 H16 Cl8 N8 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure–property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.058","0.0493","","","0.0995","0.1043","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206206","5.936","0.0012","17.94","0.004","7.547","0.0015","90","","92.44","0.03","90","","803","0.3","296","2","296","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloroacetonitrile","dichloroacetonitrile","","- C2 H Cl2 N -","- C2 H Cl2 N -","- C16 H8 Cl16 N8 -","8","2","","Olejniczak, Anna; Katrusiak, Andrzej","Structure–property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.2091","0.0794","","","0.1439","0.1994","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206207","15.251","0.002","15.251","0.002","8.1219","0.0016","90","","90","","90","","1889.1","0.5","296","2","296","2","900000","","900000","","","","","3","I 41 c d","I 4bw -2c","110","trichloroacetonitrile","trichloroacetonitrile","","- C2 Cl3 N -","- C2 Cl3 N -","- C32 Cl48 N16 -","16","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure–property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.0707","0.0636","","","0.1613","0.1724","","","","","","1.125","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206208","9.3455","0.0007","6.7383","0.0004","14.6868","0.0012","90","","101.529","0.004","90","","906.21","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0494","","","","0.122","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206209","11.3857","0.0009","6.7698","0.0003","12.7237","0.0009","90","","103.73","0.003","90","","952.7","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0403","","","","0.0991","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206210","9.17","0.0018","9.949","0.002","12.068","0.002","102.98","0.03","104.75","0.03","98.51","0.03","1012.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N4 Zn -","- C20 H22 Cl2 N4 Zn -","- C40 H44 Cl4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0712","0.0464","","","0.0948","0.1048","","","","","","1.058","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206211","9.2071","0.0018","10.196","0.002","12.285","0.003","102.64","0.03","105.75","0.03","98.64","0.03","1055.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 Zn -","- C20 H22 Br2 N4 Zn -","- C40 H44 Br4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1564","0.0863","","","0.2023","0.2452","","","","","","1.071","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206212","8.575","0.0017","11.228","0.002","14.062","0.003","92.39","0.03","106.67","0.03","107.85","0.03","1222","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cd I2 N4 O0.5 -","- C20 H23 Cd I2 N4 O0.5 -","- C40 H46 Cd2 I4 N8 O -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1034","0.0662","","","0.1513","0.1696","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206213","12.056","0.002","12.055","0.002","12.71","0.003","90","","93.09","0.03","90","","1844.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cd Cl2 N8 -","- C40 H44 Cd Cl2 N8 -","- C80 H88 Cd2 Cl4 N16 -","2","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0841","0.0571","","","0.0838","0.0922","","","","","","1.129","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206214","8.7552","0.0018","9.486","0.0019","16.064","0.003","93.72","0.03","94.91","0.03","98.88","0.03","1309.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","1","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0498","0.0339","","","0.0778","0.0834","","","","","","1.038","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206215","22.382","0.003","22.382","0.003","11.243","0.002","90","","90","","90","","5632.2","1.5","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H34 N4 O8 Zn2 -","- C28 H34 N4 O8 Zn2 -","- C224 H272 N32 O64 Zn16 -","8","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0637","0.0478","","","0.0968","0.1037","","","","","","1.109","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206216","11.807","0.008","7.545","0.005","3.737","0.003","90","","93.532","0.008","90","","332.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cd Cl2 N2 -","- C4 H4 Cd Cl2 N2 -","- C8 H8 Cd2 Cl4 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0445","0.0445","","","0.1197","0.1197","","","","","","1.159","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206217","12.02","0.03","6.883","0.014","3.712","0.008","90","","95.82","0.02","90","","305.5","1.2","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cl2 Cu N2 -","- C4 H4 Cl2 Cu N2 -","- C8 H8 Cl4 Cu2 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0385","0.0345","","","0.0926","0.0977","","","","","","1.131","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206218","10.2396","0.001","8.1042","0.0008","7.8045","0.0008","90","","100.031","0.01","90","","637.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Br2 N O2 -","- C4 H Br2 N O2 -","- C16 H4 Br8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0378","0.0243","","","0.0534","0.0577","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206219","6.9498","0.0008","8.5107","0.0011","11.2025","0.0012","100.225","0.012","98.246","0.011","95.329","0.011","640.56","0.14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 Br2 Cl2 N4 O2 -","- C9 H6 Br2 Cl2 N4 O2 -","- C18 H12 Br4 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.034","0.0233","","","0.0513","0.0546","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206220","3.8217","0.0006","22.432","0.003","13.711","0.002","90","","97.809","0.012","90","","1164.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 N4 O2 -","- C9 H8 Br2 N4 O2 -","- C36 H32 Br8 N16 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0628","0.0391","","","0.0893","0.0982","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206221","12.267","0.002","11.93","0.002","4.9664","0.001","90","","90","","90","","726.8","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-diamino-3,5-dibromopyridine","","- C5 H5 Br2 N3 -","- C5 H5 Br2 N3 -","- C20 H20 Br8 N12 -","4","0.5","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0341","0.0228","","","0.0506","0.0544","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206222","7.274","0.003","8.086","0.003","10.35","0.004","90","","101.35","0.02","90","","596.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C16 H4 Cl8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0742","0.0339","","","0.0853","0.0979","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206223","7.1818","0.0006","7.8344","0.0007","11.6453","0.0015","101.979","0.011","101.519","0.011","97.213","0.01","618.44","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cl4 N4 O2 -","- C9 H6 Cl4 N4 O2 -","- C18 H12 Cl8 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.046","0.0342","","","0.0911","0.0964","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206224","3.7835","0.0018","11.45","0.006","13.799","0.007","97.018","0.018","96.799","0.018","96.993","0.017","583.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.065","0.0403","","","0.0952","0.1093","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206225","5.5503","0.0002","5.5503","0.0002","38.4073","0.0009","90","","90","","90","","1183.17","0.07","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C32 H8 Cl16 N8 O16 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0292","0.0265","","","0.0691","0.0696","","","","","","1.168","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206226","11.5523","0.0012","23.163","0.002","4.9721","0.0003","90","","90","","90","","1330.5","0.2","103","2","103","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H5 Cl2 N3 -","- C5 H5 Cl2 N3 -","- C40 H40 Cl16 N24 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0578","0.0591","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206227","6.8874","0.0008","7.5131","0.001","11.0277","0.0016","78.312","0.008","83.145","0.01","83.916","0.01","552.84","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0866","0.0515","","","0.1165","0.1316","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206228","14.1686","0.0015","20.559","0.002","6.927","0.0006","90","","99.575","0.011","90","","1989.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","2","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0533","0.0348","","","0.0834","0.0987","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206229","9.808","0.003","10.109","0.003","10.965","0.003","77.197","0.004","81.634","0.004","68.888","0.004","986.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.097","0.0498","","","0.0986","0.119","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206230","8.9767","0.0009","10.168","0.0011","11.8647","0.0012","68.405","0.001","84.338","0.001","78.187","0.001","985.29","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0339","0.0318","","","0.0924","0.0946","","","","","","1.048","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206231","9.7609","0.001","10.1202","0.0011","10.9656","0.0012","76.443","0.001","81.092","0.001","68.742","0.001","978.45","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Ni O4 -","- C21 H18 N2 Ni O4 -","- C42 H36 N4 Ni2 O8 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0305","0.027","","","0.0695","0.0718","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206232","10.1421","0.0011","10.3265","0.0011","11.6938","0.0012","70.97","0.001","77.524","0.001","65.567","0.001","1049.4","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 Ni O5 -","- C22 H22 N2 Ni O5 -","- C44 H44 N4 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0271","0.0249","","","0.0628","0.0641","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206233","10.811","0.001","12.298","0.001","19.58","0.001","82.23","0.004","79.12","0.005","64.53","0.005","2303.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N18 O23 -","- C30 H36 N18 O23 -","- C60 H72 N36 O46 -","2","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1432","0.0797","","","0.2058","0.2257","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206234","15.788","0.001","12.16","0.001","7.161","","90","","96.56","0.005","90","","1365.78","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C40 H64 N24 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1108","0.0659","","","0.1608","0.1773","","","","","","0.9","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206235","38.011","0.005","9.212","0.005","20.43","0.005","90","0.005","99.437","0.005","90","0.005","7057","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N7 O6 -","- C13 H15 N7 O6 -","- C208 H240 N112 O96 -","16","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1367","0.0784","","","0.2389","0.2652","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206236","14.372","0.001","8.549","0.001","20.671","0.002","90","0.007","114.23","","90","","2316","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N6 O4 -","- C10 H12 N6 O4 -","- C80 H96 N48 O32 -","8","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1371","0.0464","","","0.0838","0.0984","","","","","","0.771","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206237","16.691","0.008","8.577","0.004","20.692","0.008","90","","117.83","0.03","90","","2620","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N13 O6 -","- C22 H27 N13 O6 -","- C88 H108 N52 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.166","0.0712","","","0.162","0.1805","","","","","","0.689","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206238","7.571","","10.857","0.001","16.477","0.001","87.12","0.005","85.51","0.005","82.63","0.005","1337.96","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N6 O5 -","- C10 H16 N6 O5 -","- C40 H64 N24 O20 -","4","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.0837","0.0459","","","0.1032","0.1119","","","","","","0.944","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206239","10.7451","0.0007","8.1032","0.0005","15.3586","0.001","90","","109.279","0.001","90","","1262.28","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O -","- C13 H12 I N O -","- C52 H48 I4 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0332","0.0247","","","","0.061","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206240","9.1134","0.0003","11.0264","0.0004","14.6077","0.0006","90","","90","","90","","1467.9","0.09","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H12 I2 N O -","- C13 H12 I2 N O -","- C52 H48 I8 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0145","0.0136","","","","0.0306","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206241","9.5788","0.0008","7.8985","0.0007","42.819","0.004","90","","90","","90","","3239.6","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 I3 N O -","- C13 H12 I3 N O -","- C104 H96 I24 N8 O8 -","8","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0524","0.0419","","","","0.0772","","","","","","1.191","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206242","9.835","0.002","13.839","0.003","21.881","0.005","96.492","0.004","100.32","0.005","104.967","0.004","2790.5","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 In2 N4 O13 -","- C66 H40 In2 N4 O13 -","- C132 H80 In4 N8 O26 -","2","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1247","0.0752","","","0.1614","0.2003","","","","","","1.087","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206243","10.7789","0.0003","8.2923","0.0002","19.6538","0.0005","90","","95.031","0.001","90","","1749.93","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13.5 In N O5.25 -","- C19 H13 In N O5.25 -","- C76 H52 In4 N4 O21 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","1.54178","CuKα","","0.0918","0.0739","","","0.2276","0.2452","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206244","12.8039","0.0009","14.0375","0.0009","18.358","0.001","90","","90","","90","","3299.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 In N2 O9 -","- C38 H27 In N2 O9 -","- C152 H108 In4 N8 O36 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.0519","0.0398","","","0.0621","0.0646","","","","","","1.073","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206245","9.9495","0.0006","13.0898","0.0008","13.2297","0.0008","82.543","0.001","85.472","0.001","80.571","0.001","1682.41","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.061","0.0405","","","0.086","0.0922","","","","","","1.054","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206246","10.6135","0.0012","11.6513","0.0013","14.0949","0.0015","75.745","0.002","68.609","0.002","88.736","0.002","1568.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1009","0.0652","","","0.0979","0.1072","","","","","","1.049","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206247","8.4186","0.001","12.573","0.0015","13.2177","0.0015","79.947","0.002","84.258","0.002","79.707","0.002","1352","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","2","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.0799","0.0464","","","0.1207","0.1451","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206248","4.4026","0.0014","10.667","0.003","13.823","0.004","76.294","0.004","86.681","0.004","89.165","0.004","629.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.089","0.049","","","0.1188","0.143","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206249","27.3936","0.0002","27.3936","0.0002","27.3936","0.0002","90","","90","","90","","20556.4","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H192 B6 Cu6 F24 N42 O42 -","- C156 H132 B6 Cu6 F24 N42 O42 -","- C624 H528 B24 Cu24 F96 N168 O168 -","4","0.166667","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.1","0.0621","","","0.1659","0.1833","","","","","","1.017","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206250","26.5623","0.0004","17.5464","0.0002","42.0801","0.0008","90","","104.125","0.002","90","","19019.4","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C324 H356 Cu12 F36 N88 O60 Si6 -","- C324 H292 Cu12 F36 N88 O60 Si6 -","- C648 H584 Cu24 F72 N176 O120 Si12 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.0915","0.0605","","","0.1663","0.1764","","","","","","1.08","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206251","13.9659","0.0005","13.2766","0.0005","18.0272","0.0006","90","","104.667","0.003","90","","3233.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cu N7 O6 S -","- C34 H33 Cu N7 O6 S -","- C136 H132 Cu4 N28 O24 S4 -","4","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.101","0.0447","","","0.0707","0.0771","","","","","","1.013","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206252","24.7325","0.0008","12.9895","0.0007","20.3885","0.0008","90","","105.252","0.004","90","","6319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H118 Cl4 Cu4 N30 O38 -","- C116 H98 Cl4 Cu4 N30 O38 -","- C232 H196 Cl8 Cu8 N60 O76 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0937","0.0629","","","0.1661","0.1811","","","","","","1.006","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206253","24.6794","0.001","12.4257","0.0005","21.1689","0.0009","90","","104.994","0.004","90","","6270.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cu N8.5 O10.25 -","- C29 H24.5 Cu N8.5 O10.25 -","- C232 H196 Cu8 N68 O82 -","8","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0936","0.0625","","","0.1607","0.1755","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206254","20.4796","0.0008","12.5996","0.0005","23.1723","0.0012","90","","104.953","0.005","90","","5776.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C115 H116 Cu4 N32 O26 -","- C115 H100 Cu4 N32 O26 -","- C230 H200 Cu8 N64 O52 -","2","0.5","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.2455","0.077","","","0.0947","0.1113","","","","","","1.023","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206255","10.2659","0.0004","20.0891","0.0008","10.3753","0.0004","90","","100.633","0.001","90","","2102.99","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mo8 N4 O26 -","- C26 H32 Mo8 N4 O26 -","- C52 H64 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0296","0.0254","","","0.0626","0.0646","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206256","9.68","0.0006","10.4525","0.0006","12.2127","0.0008","65.766","0.001","79.868","0.001","70.754","0.001","1062.63","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Mo4 N2 O13 -","- C14 H18 Mo4 N2 O13 -","- C28 H36 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0222","","","0.0646","0.0656","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206257","10.434","0.002","20.632","0.004","11.583","0.002","90","","107.98","0.03","90","","2371.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mo4 N2 O13 -","- C15 H20 Mo4 N2 O13 -","- C60 H80 Mo16 N8 O52 -","4","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0549","0.0517","","","0.133","0.1358","","","","","","1.097","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206258","9.6722","0.0006","9.8924","0.0006","12.7236","0.0008","105.829","0.001","94.873","0.001","95.76","0.001","1157.28","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mo4 N2 O13 -","- C16 H22 Mo4 N2 O13 -","- C32 H44 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0302","0.0263","","","0.0613","0.0635","","","","","","1.037","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206259","11.2831","0.0007","18.3289","0.0011","11.9515","0.0007","90","","90.873","0.001","90","","2471.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Mo8 N4 O26 -","- C34 H48 Mo8 N4 O26 -","- C68 H96 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0216","","","0.0588","0.06","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206260","15.5447","0.0008","10.1543","0.0005","16.6922","0.0008","90","","90.059","0.001","90","","2634.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Mo8 N4 O26 -","- C36 H52 Mo8 N4 O26 -","- C72 H104 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0287","0.0254","","","0.0622","0.0641","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206261","22.684","0.002","13.1384","0.0012","19.4278","0.0017","90","","108.619","0.001","90","","5487.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 Mo16 N8 O52 -","- C76 H112 Mo16 N8 O52 -","- C152 H224 Mo32 N16 O104 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.1013","0.0915","","","0.2277","0.2427","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206262","11.1947","0.0008","17.5265","0.0013","14.1876","0.001","90","","97.351","0.001","90","","2760.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Mo8 N4 O26 -","- C40 H60 Mo8 N4 O26 -","- C80 H120 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.033","0.0299","","","0.0796","0.0825","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206263","12.5763","0.0008","13.0193","0.0009","17.646","0.0012","90","","99.014","0.001","90","","2853.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Mo8 N4 O26 -","- C42 H64 Mo8 N4 O26 -","- C84 H128 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0233","0.0211","","","0.0532","0.0542","","","","","","1.107","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206264","12.5475","0.0007","16.7311","0.001","14.5205","0.0008","90","","97.365","0.001","90","","3023.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mo8 N4 O26 -","- C44 H68 Mo8 N4 O26 -","- C88 H136 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0282","0.0231","","","0.054","0.0567","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206265","5.6711","0.0011","8.1633","0.0016","8.5872","0.0017","93.01","0.004","103.997","0.004","93.971","0.004","383.83","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.0522","0.0408","","","0.1161","0.1209","","","","","","1.277","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206266","8.587","0.002","10.268","0.003","11.825","0.003","93.996","0.006","98.019","0.006","92.232","0.006","1028.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1853","0.0663","","","0.1431","0.1745","","","","","","0.808","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206267","10.1791","0.0005","13.7563","0.0006","16.5846","0.0008","66.855","0.002","87.383","0.003","86.095","0.003","2129.96","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Co N12 O7 -","- C50 H37 Co N12 O7 -","- C100 H74 Co2 N24 O14 -","2","1","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1171","0.0555","","","0.1276","0.1463","","","","","","1.052","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206268","11.2647","0.0013","13.312","0.0017","13.6154","0.0017","61.92","0.004","71.986","0.004","75.482","0.004","1699.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1443","0.0536","","","0.107","0.1346","","","","","","0.914","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206269","24.492","0.005","16.886","0.003","25.983","0.005","90","","90","","90","","10746","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H92 Mn4 N8 O26 S4 -","- C107.96 H92 Mn4 N8 O26 S4 -","- C431.84 H368 Mn16 N32 O104 S16 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.1268","0.0649","","","0.1582","0.1983","","","","","","1.034","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206270","12.519","0.003","22.829","0.005","11.917","0.002","90","","105.89","0.03","90","","3275.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H24 Mn2 N3 O13 S2 -","- C32 H17 Mn2 N3 O13 S2 -","- C128 H68 Mn8 N12 O52 S8 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0926","0.0752","","","0.1411","0.1474","","","","","","1.639","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206271","12.401","0.003","12.606","0.003","13.664","0.003","70.84","0.03","69.99","0.03","62.04","0.03","1736.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0445","0.0391","","","0.1164","0.1219","","","","","","1.089","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206272","9.2542","0.0019","12.022","0.002","13.235","0.003","80.84","0.03","79.36","0.03","86.47","0.03","1427.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N4 Ni O10 S -","- C24 H28 N4 Ni O10 S -","- C48 H56 N8 Ni2 O20 S2 -","2","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0687","0.0633","","","0.2047","0.213","","","","","","1.07","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206273","9.1045","0.0003","19.8708","0.0006","26.5094","0.0008","90","","97.067","0.002","90","","4759.5","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H46 N8 Ni2 O11 -","- C50 H44 N8 Ni2 O11 -","- C200 H176 N32 Ni8 O44 -","4","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0609","0.0488","","","0.1302","0.1386","","","","","","1.001","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206274","11.502","0.002","13.122","0.003","13.598","0.003","95.81","0.03","108.69","0.03","109.68","0.03","1779.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H50 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.108","0.0564","","","0.1142","0.135","","","","","","1.015","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206275","8.8825","0.0019","9.736","0.002","19.949","0.005","86.367","0.012","82.052","0.01","74.5","0.008","1645.8","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1579","0.1236","","0.247","0.2289","0.247","","","","","","1.0927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206276","20.1979","0.0006","19.3405","0.0005","9.0377","0.0002","90","","99.6836","0.001","90","","3480.16","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C144 H184 N8 O36 -","4","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.09","0.0565","","0.1309","0.1123","0.1308","","","","","","0.9514","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206277","10.2724","0.0002","13.2776","0.0002","13.7434","0.0003","68.6691","0.001","83.2934","0.0009","70.409","0.0009","1644.98","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0658","0.056","","0.1656","0.1558","0.1655","","","","","","0.908","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206278","8.864","0.013","9.554","0.014","21.89","0.04","82.63","0.04","82.94","0.05","74.7","0.05","1766","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N2 O10 -","- C37 H50 N2 O10 -","- C74 H100 N4 O20 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1223","0.107","","0.301","0.2861","0.301","","","","","","1.0092","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206279","8.8442","0.0001","18.9677","0.0002","23.0861","0.0003","108.763","0.0004","90.3014","0.0004","102.059","0.0005","3575.06","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H47 Cl N2 O9 -","- C36.5 H47 Cl N2 O9 -","- C146 H188 Cl4 N8 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1256","0.0885","","0.2828","0.232","0.2828","","","","","","0.9709","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206280","50.61","0.03","9.703","0.006","19.082","0.011","90","","110.46","0.006","90","","8779","9","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 F5 I N2 O9 -","- C42 H46 F5 I N2 O9 -","- C336 H368 F40 I8 N16 O72 -","8","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1126","0.0917","","0.1154","0.1028","0.1028","","","","","","1.2305","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206281","11.2663","0.0003","14.6885","0.0005","22.7937","0.0007","101.33","0.0013","102.202","0.0014","95.3807","0.0012","3578.74","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37.5 H49 N2 O9.5 -","- C37.5 H49 N2 O9.5 -","- C150 H196 N8 O38 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1387","0.0663","","0.0938","0.0587","0.0587","","","","","","1.0746","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206282","13.5639","0.0001","16.2244","0.0001","19.8583","0.0002","102.619","0.0004","92.0868","0.0004","113.495","0.0004","3873.6","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H51.25 N3.75 O9 -","- C39.5 H51.25 N3.75 O9 -","- C158 H205 N15 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0661","0.0562","","0.1441","0.1368","0.1439","","","","","","0.9236","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206283","14.5077","0.0007","15.0789","0.0007","16.3192","0.0013","107.611","0.003","100.282","0.003","110.437","0.002","3022.8","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0579","0.0389","","","0.0921","0.1011","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206284","14.613","0.0007","15.196","0.0007","16.3954","0.0008","107.505","0.002","99.989","0.003","110.731","0.002","3083.3","0.3","181","1","181","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0739","0.0412","","","0.0872","0.0995","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206285","14.677","0.005","15.268","0.005","16.48","0.005","107.59","0.004","99.874","0.004","110.825","0.004","3124.9","1.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1396","0.0671","","","0.1309","0.1541","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206286","13.5049","0.0016","14.7832","0.0018","17.414","0.002","65.672","0.002","69.922","0.002","83.052","0.002","2974.5","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1494","0.067","","","0.1414","0.1726","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206287","15.056","0.002","16.698","0.002","16.718","0.002","103.588","0.002","109.528","0.002","111.43","0.002","3368.1","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1115","0.0782","","","0.2041","0.2361","","","","","","1.011","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206288","11.385","0.005","11.484","0.005","32.225","0.005","95.42","0.005","98.059","0.005","96.035","0.005","4123","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H158 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","1","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Su, Zhong-Min","A novel 3-connected [3 + 3] topological net showing both rotaxane- and catenane-like motifs","CrystEngComm","2011","13","15","4945","","10.1039/c1ce05277b","","","0.71069","MoKα","","0.0989","0.0551","","","0.1311","0.1555","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206289","11.166","0.002","17.71","0.004","19.669","0.004","90","","97.07","0.03","90","","3860","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cd2 N3 O9 S -","- C32 H29 Cd2 N3 O9 S -","- C128 H116 Cd8 N12 O36 S4 -","4","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1191","0.0737","","","0.1171","0.1304","","","","","","1.108","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206290","9.4824","0.0019","9.584","0.0019","12.153","0.002","98.3","0.03","108.55","0.03","111.24","0.03","932.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl N2 O2 Zn -","- C21 H18 Cl N2 O2 Zn -","- C42 H36 Cl2 N4 O4 Zn2 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1611","0.095","","","0.1963","0.2299","","","","","","1.091","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206291","7.2223","0.0014","8.2583","0.0017","11.575","0.002","104.61","0.03","101.05","0.03","99.64","0.03","638.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cd Cl2 N O2 -","- C10 H12 Cd Cl2 N O2 -","- C20 H24 Cd2 Cl4 N2 O4 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.0447","0.0304","","","0.0539","0.0568","","","","","","1.123","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206292","19.008","0.004","12.186","0.002","22.35","0.005","90","","90","","90","","5177","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cd N2 O4 -","- C29 H22 Cd N2 O4 -","- C232 H176 Cd8 N16 O32 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1639","0.096","","","0.1276","0.1452","","","","","","1.184","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206293","18.327","0.004","11.613","0.002","22.078","0.004","90","","90","","90","","4698.9","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1213","0.0719","","","0.1515","0.175","","","","","","1.074","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206294","9.959","0.003","11.667","0.003","6.3044","0.0011","90","","90","","90","","732.5","0.3","293","","293","","","","400000","","","","","3","I b a m","-I 2 2c","72","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0761","0.0427","","0.1187","0.0931","0.1187","","","","","","1.0324","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206295","5.1352","0.001","9.802","0.003","6.85","0.004","90","","97.28","0.03","90","","342","0.2","293","","293","","","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C12 H16 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0754","0.0409","","0.0888","0.0808","0.0888","","","","","","1.0481","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206296","3.8056","0.0003","10.4842","0.0008","11.6286","0.001","90","","91.468","0.004","90","","463.81","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0399","0.0318","","0.087","0.0841","0.087","","","","","","0.9771","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206297","3.8808","0.0011","10.616","0.006","11.718","0.004","90","","91.24","0.02","90","","482.7","0.3","293","","293","","","","300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.1155","0.059","","0.1354","0.1143","0.1354","","","","","","1.0836","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206298","3.7643","0.0013","13.501","0.006","8.308","0.005","90","","101.22","0.03","90","","414.2","0.3","293","","293","","","","1500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0854","0.0456","","0.1118","0.0978","0.1118","","","","","","1.0658","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206299","16.793","0.003","21.363","0.004","10.187","0.002","90","","106.379","0.003","90","","3506.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O7 Zn -","- C30 H30 N6 O7 Zn -","- C120 H120 N24 O28 Zn4 -","4","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.1181","0.0778","","","0.242","0.2824","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206300","18.042","0.002","19.55","0.002","17.324","0.002","90","","116.211","0.002","90","","5482.2","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Co2 N12 O9 -","- C60 H60 Co2 N12 O9 -","- C240 H240 Co8 N48 O36 -","4","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0887","0.0519","","","0.1264","0.1496","","","","","","1.078","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206301","10.2524","0.0013","10.5382","0.0013","16.458","0.002","72.288","0.002","84.972","0.002","61.58","0.002","1486.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cd N6 O6 -","- C30 H34 Cd N6 O6 -","- C60 H68 Cd2 N12 O12 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0733","0.0538","","","0.1305","0.1459","","","","","","1.096","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206302","34.981","0.005","8.4913","0.0013","18.479","0.003","90","","121.777","0.002","90","","4666.1","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N3 O5 Zn -","- C23 H26 N3 O5 Zn -","- C184 H208 N24 O40 Zn8 -","8","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0749","0.056","","","0.1672","0.1909","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206303","9.1247","0.0019","12.1808","0.0019","13.519","0.004","82.922","0.003","88.411","0.002","84.781","0.002","1484.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","1","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0469","0.0383","","","0.0983","0.1052","","","","","","1.028","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206304","9.0628","0.001","12.4562","0.0014","27.207","0.003","83.786","0.001","85.363","0.002","82.622","0.002","3021","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Cd2 N12 O8 -","- C64 H68 Cd2 N12 O8 -","- C128 H136 Cd4 N24 O16 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.086","0.0459","","","0.0954","0.134","","","","","","0.998","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206305","8.002","0.0003","15.734","0.0005","14.337","0.0006","90","","102.76","0.04","90","","1760.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1077","0.0743","","","0.2083","0.2647","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206306","9.964","0.0003","10.218","0.0003","10.579","0.0004","80.969","0.002","87.691","0.002","87.649","0.001","1062.2","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1121","0.0815","","","0.2147","0.2484","","","","","","1.157","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206307","8.2302","0.0012","23.218","0.003","8.1795","0.0012","90","","94.665","0.002","90","","1557.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2-methyl)phenylene]dioxamalate","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0578","0.0537","","","0.123","0.1254","","","","","","1.162","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206308","8.0352","0.0007","16.0173","0.0014","14.398","0.0014","90","","102.681","0.002","90","","1807.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0883","0.0519","","","0.1001","0.1028","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206309","9.008","0.0018","9.551","0.0019","10.593","0.0019","94.8","0.02","99.01","0.03","109.34","0.03","840.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-(2-hydroxyethylamino)oxalyl)-1,3-(2-methyl) phenylenediamine","N,N'-Bis[2-(2-hydroxyethylamino)oxalyl]-1,3-(2-methyl) phenylenediamine","","- C15 H20 N4 O6 -","- C14.998 H19.995 N4 O5.999 -","- C29.996 H39.99 N8 O11.998 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1192","0.0804","","","0.2297","0.2432","","","","","","0.959","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206310","11.4567","0.0006","12.905","0.0007","16.4558","0.001","90","","101.828","0.002","90","","2381.3","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis-[2-(2-(2-hydroxyethoxy)ethylamino) oxalyl]-1,3-(2,4,6-trimethyl)phenylenediamine","","- C21 H32 N4 O8 -","- C21 H32 N4 O8 -","- C84 H128 N16 O32 -","4","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1085","0.0677","","","0.1568","0.1703","","","","","","0.816","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206311","13.066","0.003","24.384","0.005","13.303","0.003","90","","90","0.03","90","","4238.4","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis[(2-(2-hydroxyethylamino)oxalyl)]-1,3- (5-tertbuthyl-2-methoxy)phenylenediamine","","- C19 H28 N4 O7 -","- C19 H28 N4 O7 -","- C152 H224 N32 O56 -","8","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1021","0.0551","","","0.1371","0.1858","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206312","10.093","0.003","20.139","0.005","9.676","0.002","90","","102.269","0.003","90","","1921.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0766","0.0416","","","0.0938","0.1133","","","","","","1.043","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206313","18.519","0.008","13.366","0.006","7.971","0.004","90","","113.072","0.005","90","","1815.2","1.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0679","0.0634","","","0.1649","0.1694","","","","","","1.064","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206314","9.7514","0.0013","10.143","0.0014","11.2886","0.0016","108.396","0.001","106.263","0.001","102.921","0.001","955.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br N4 Ni O5 -","- C17 H17 Br N4 Ni O5 -","- C34 H34 Br2 N8 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0374","0.0279","","","0.0603","0.065","","","","","","1.025","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206315","10.1385","0.001","17.0608","0.0017","21.875","0.002","90","","90","","90","","3783.7","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Br N4 Ni O4 -","- C18 H17 Br N4 Ni O4 -","- C144 H136 Br8 N32 Ni8 O32 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0588","0.0348","","","0.0671","0.0771","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206316","10.07","0.002","10.547","0.002","10.69","0.002","71.61","0.03","68.23","0.03","62.68","0.03","922.1","0.4","100","3","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Fe N3 O6 S4 -","- C14 H12 Fe N3 O6 S4 -","- C28 H24 Fe2 N6 O12 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0335","0.028","","","0.0674","0.0701","","","","","","0.991","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206317","13.464","0.003","12.053","0.002","14.304","0.003","90","","95.68","0.03","90","","2309.9","0.8","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H20 Fe N5 O7 S4 -","- C14 H20 Fe N5 O7 S4 -","- C56 H80 Fe4 N20 O28 S16 -","4","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0324","0.0299","","","0.0741","0.0755","","","","","","1.075","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206318","16.093","0.003","13.984","0.003","16.47","0.003","90","","90","","90","","3706.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Fe N3 O5 S4 -","- C14 H10 Fe N3 O5 S4 -","- C112 H80 Fe8 N24 O40 S32 -","8","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0345","0.028","","","0.0661","0.0695","","","","","","1.041","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206319","8.4799","0.0014","15.706","0.003","5.75","0.001","90","","90","","90","","765.8","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H4 Br N3 O3 Pb -","- C3 H4 Br N3 O3 Pb -","- C12 H16 Br4 N12 O12 Pb4 -","4","1","","Safarifard, Vahid; Morsali, Ali","Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology","CrystEngComm","2011","13","15","4817","","10.1039/c1ce05311f","","","0.71073","MoKα","","0.026","0.0237","","","0.0528","0.0534","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206320","30.125","0.011","9.449","0.003","12.692","0.005","90","","90","","90","","3613","2","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 Eu N6 S3 Sb -","- C8 H26 Eu N6 S3 Sb -","- C64 H208 Eu8 N48 S24 Sb8 -","8","1","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.0344","0.0313","","","0.0788","0.0812","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206321","27.566","0.007","8.4157","0.0017","18.003","0.007","90","","116.71","0.03","90","","3731","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C64 H208 Cl8 Eu8 N48 S20 Sb8 -","4","0.5","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.065","0.0445","","","0.0796","0.0828","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206322","8.6551","0.0002","12.9917","0.0004","19.0093","0.0004","109.596","0.002","96.091","0.002","90.55","0.002","1999.99","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F4 I2 N O -","- C18 H16 F4 I2 N O -","- C72 H64 F16 I8 N4 O4 -","4","2","","Davy, Karl J. P.; McMurtrie, John; Rintoul, Llew; Bernhardt, Paul V.; Micallef, Aaron S.","Vapour phase assembly of a halogen bonded complex of an isoindoline nitroxide and 1,2-diiodotetrafluorobenzene","CrystEngComm","2011","13","16","5062","","10.1039/c1ce05344b","","","0.71073","MoKα","","0.0709","0.0342","","","0.0392","0.041","","","","","","0.945","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206323","14.9609","0.0009","26.488","0.0016","15.382","0.0009","90","","109.998","0.001","90","","5728.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H58.5 Cd3 N10 O19.25 -","- C56 H54 Cd3 N10 O19.25 -","- C224 H216 Cd12 N40 O77 -","4","0.5","","He, Jianghong; Chen, Haiyan; Xiao, Dongrong; Sun, Dianzhen; Zhang, Guangju; Yan, Shiwei; Xin, Guanghua; Yuan, Ruo; Wang, Enbo","An unprecedented 3-fold interpenetrated double-edged pseudo-diamondoid network containing exceptional 5-fold interlocking tri-flexure helices and 15-fold interwoven helices","CrystEngComm","2011","13","15","4841","","10.1039/c1ce05349c","","","0.71073","MoKα","","0.0292","0.0249","","","0.0858","0.0903","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206324","29.536","0.002","29.536","0.002","41.76","0.006","90","","90","","120","","31550","5","100","2","100","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C120 H108 N4 O40 Zn8 -","- C120 H76 N4 O38.445 Zn8 -","- C720 H456 N24 O230.67 Zn48 -","6","1","","Han, Shuangbing; Ma, Zhenbo; Wei, Yanhu; Kravtsov, Victor Ch.; Luisi, Brian S.; Kulaots, Indrek; Moulton, Brian","A single-crystalline microporous coordination polymer with mixed parallel and diagonal interpenetrating α-Po networks","CrystEngComm","2011","13","15","4838","","10.1039/c1ce05354j","","","0.71073","MoKα","","0.1092","0.0788","","","0.2074","0.2165","","","","","","1.008","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206326","10.5015","0.0003","19.8003","0.0004","21.249","0.0005","90","","103.696","0.002","90","","4292.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cd2 N8 O8 -","- C46 H28 Cd2 N8 O8 -","- C184 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.063","0.0452","","","0.1188","0.1258","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206327","9.3505","0.0004","20.6898","0.0009","20.1672","0.0009","90","","101.284","0.002","90","","3826.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O8 -","- C42 H28 Cd2 N8 O8 -","- C168 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0419","0.0313","","","0.0775","0.0849","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206328","20.0411","0.0003","8.3805","0.0001","13.2718","0.0002","90","","93.905","0.001","90","","2223.88","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N4 O9 Pb3 -","- C22 H12 N4 O9 Pb3 -","- C88 H48 N16 O36 Pb12 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0603","0.0544","","","0.1827","0.1905","","","","","","1.073","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206329","27.28","0.003","31.413","0.004","6.6156","0.0008","90","","90","","90","","5669.2","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H26 N4 O14 Sr -","- C22 H26 N4 O14 Sr -","- C176 H208 N32 O112 Sr8 -","8","0.5","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0559","","","","","","1.007","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206330","11.9677","0.0011","12.2012","0.0011","14.7386","0.0013","67.613","0.001","74.527","0.001","63.724","0.001","1771.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H72 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.036","0.0316","","","0.0925","0.1037","","","","","","1.117","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206331","11.7581","0.0013","13.0974","0.0014","14.6365","0.0016","106.167","0.001","108.385","0.001","107.433","0.001","1859.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H74 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0283","0.0263","","","0.0837","0.0858","","","","","","1.102","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206332","13.2131","0.0008","22.1308","0.0013","13.6152","0.0008","90","","103.464","0.001","90","","3871.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H90 Mn Mo12 N12 O70 P8 -","- C16 H90 Mn Mo12 N12 O70 P8 -","- C32 H180 Mn2 Mo24 N24 O140 P16 -","2","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0306","0.0248","","","0.0634","0.0658","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206333","32.322","0.002","12.1782","0.0009","22.691","0.0017","90","","128.238","0.001","90","","7015.4","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H68 Cu2 Mo12 N10 O65 P8 -","- C10 H50 Cu2 Mo12 N10 O65 P8 -","- C40 H200 Cu8 Mo48 N40 O260 P32 -","4","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0334","0.0275","","","0.0819","0.0906","","","","","","1.086","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206334","14.347","0.0018","14.347","0.0018","20.408","0.002","90","","90","","120","","3637.9","0.7","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 N12 O35 Zn11 -","- C48 H60 N12 O35 Zn11 -","- C96 H120 N24 O70 Zn22 -","2","0.166667","","Zeng, Rong-Rong; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","An unusual (3,6)-connected microporous metal‒organic framework based on tetrahedral Zn4 clusters with selective adsorption of CO2","CrystEngComm","2011","13","15","4823","","10.1039/c1ce05429e","","","0.71073","MoKα","","0.1019","0.0662","","","0.1703","0.192","","","","","","1.048","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206335","17.8722","0.0008","17.8722","0.0008","14.3521","0.0013","90","","90","","90","","4584.3","0.5","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C24 H22 Cd8 F3 N35 S2 -","- C24 H22 Cd8 F3 N35 S2 -","- C96 H88 Cd32 F12 N140 S8 -","4","0.25","","Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Batten, Stuart R.","An unusual uninodal 10-connected self-penetrating network built from sixteen-nuclear hybrid cadmium clusters","CrystEngComm","2011","13","14","4508","","10.1039/c1ce05462g","","","0.71073","MoKα","","0.0628","0.0415","","","0.0881","0.0986","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206336","9.0589","0.0003","6.197","0.0002","8.6426","0.0003","90","","105.932","0.003","90","","466.54","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Br4 O2 -","- C6 Br4 O2 -","- C12 Br8 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0353","","","","0.0949","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206337","7.594","0.0002","10.6229","0.0004","16.928","0.0005","91.426","0.003","91.085","0.003","100.728","0.003","1340.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Br4 K O3 -","- C9 H6 Br4 K O3 -","- C36 H24 Br16 K4 O12 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54179","CuKα","","","0.0787","","","","0.233","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206338","10.4655","0.0001","16.7229","0.0002","7.4574","0.0001","90","","102.892","0.001","90","","1272.25","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 K O3 -","- C9 H6 Cl4 K O3 -","- C36 H24 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54184","CuKα","","","0.0369","","","","0.0962","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206339","8.1909","0.0003","3.6689","0.0003","15.5125","0.0006","90","","97.712","0.003","90","","461.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br4 Na O2 -","- C6 Br4 Na O2 -","- C12 Br8 Na2 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.072","","","","0.2649","","","","","","1.092","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206340","4.3382","0.0001","13.864","0.0002","17.4665","0.0002","90","","90","","90","","1050.52","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54184","CuKα","","","0.045","","","","0.1241","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206341","4.334","0.0001","13.5784","0.0003","17.4009","0.0003","90","","90","","90","","1024.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.043","","","","0.1115","","","","","","1.104","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206342","10.4749","0.0001","16.96","0.0001","7.6663","0.0001","90","","103.267","0.001","90","","1325.6","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 O3 Rb -","- C9 H6 Cl4 O3 Rb -","- C36 H24 Cl16 O12 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0333","","","","0.0898","","","","","","1.074","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206343","7.4105","0.0003","8.9753","0.0003","12.2407","0.0004","94.259","0.002","94.526","0.003","100.2","0.002","795.54","0.05","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0771","0.0486","","","0.1186","0.1337","","","","","","1.043","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206344","7.3605","0.0002","8.9292","0.0003","12.2136","0.0003","94.491","0.002","94.715","0.002","100.07","0.002","784.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0746","0.054","","","0.1403","0.1641","","","","","","1.13","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206346","8.8708","0.0002","12.1901","0.0003","14.6128","0.0004","94.97","0.001","100.217","0.001","95.036","0.001","1540.67","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","2","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0716","0.0475","","","0.1213","0.138","","","","","","1.075","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206347","10.6987","0.0002","12.4986","0.0003","11.9748","0.0003","90","","91.067","0.001","90","","1600.98","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0613","0.0428","","","0.1013","0.1123","","","","","","1.013","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206348","8.8589","0.0003","10.2068","0.0004","11.4469","0.0004","64.251","0.004","84.5","0.003","74.527","0.003","898.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrrolo(2,1-a)quinoxaline'","","","- C25 H18 N2 -","- C25 H18 N2 -","- C50 H36 N4 -","2","1","","Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K.","Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water","Green Chemistry","2011","13","7","1640","","10.1039/c1gc15346c","","","1.54184","CuKα","","0.0465","0.0419","","","0.1133","0.1171","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206349","9.309","0.005","28.239","0.005","7.304","0.005","90","0.005","102.501","0.005","90","0.005","1874.5","1.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K.","Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water","Green Chemistry","2011","13","7","1640","","10.1039/c1gc15346c","","","0.71073","MoKα","","0.046","0.0395","","","0.1043","0.109","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206359","8.6311","0.0005","8.7661","0.0005","10.5768","0.0007","66.499","0.003","79.521","0.003","62.868","0.002","653.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.053","0.0444","","","0.119","0.1258","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206360","7.6474","0.0007","8.8813","0.0008","11.2042","0.0011","95.515","0.005","105.036","0.005","109.059","0.004","680.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C26 H34 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0658","0.0455","","","0.1157","0.1274","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206361","8.8953","0.0002","9.5137","0.0005","10.4456","0.0003","106.759","0.001","108.95","0.001","99.042","0.001","769.25","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0368","0.0346","","","0.0978","0.0998","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206362","6.8377","0.0003","8.6356","0.0004","13.3174","0.0007","90.211","0.002","104.461","0.002","109.951","0.002","712.33","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0406","0.038","","","0.1068","0.109","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206363","7.0986","0.0002","7.1127","0.0002","10.466","0.0002","98.291","0.001","92.733","0.001","98.19","0.001","516.32","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.033","0.032","","","0.0902","0.0911","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206364","16.7326","0.0006","13.6932","0.0006","8.1323","0.0004","90","","92.992","0.002","90","","1860.76","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0578","0.0384","","","0.085","0.0933","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206365","4.5537","0.0006","9.3845","0.0011","11.1398","0.0014","79.342","0.004","85.338","0.005","85.904","0.004","465.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0446","0.0364","","","0.0935","0.098","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206366","22.979","0.01","10.157","0.004","15.902","0.007","90","","118.944","0.004","90","","3248","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Br5 Cu3 N4 O4 -","- C22 H36 Br5 Cu3 N4 O4 -","- C88 H144 Br20 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.0973","0.0624","","","0.179","0.2024","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206367","23.267","0.003","11.0415","0.0016","15.727","0.002","90","","122.907","0.002","90","","3392.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Br3 Cu3 N4 O4 -","- C26 H46 Br3 Cu3 N4 O4 -","- C104 H184 Br12 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.1291","0.0712","","","0.2055","0.2423","","","","","","1.024","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206368","8.7502","0.0011","5.059","0.002","21.53","0.02","90","","96.37","0.03","90","","947.2","1","294","","294","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H5 Li O2 -","- C4 H5 Li O2 -","- C32 H40 Li8 O16 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","1.54178","CuKα","","0.0981","0.0552","","0.119","0.068","0.068","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206369","23.2503","0.0007","4.9968","0.0003","14.8231","0.0005","90","","120.128","0.0014","90","","1489.46","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 Li N O3 -","- C5 H8 Li N O3 -","- C40 H64 Li8 N8 O24 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","0.71073","MoKα","","0.0498","0.0336","","0.0925","0.0864","0.0925","","","","","","0.9799","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206370","10.9611","0.0013","16.2605","0.0018","21.915","0.003","90","","90","","90","","3906","0.8","273","2","273","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C96 H240 Cl16 Co4 Cu8 N24 Ni8 O24 -","4","0.5","","Nesterov, Dmytro S.; Graiff, Claudia; Tiripicchio, Antonio; Pombeiro, Armando J. L.","Direct synthesis and crystal structure of a new pentanuclear heterotrimetallic Cu/Co/Ni complex with 2-(dimethylamino)ethanol. Discussion of possible “butterfly-like” molecular structure types","CrystEngComm","2011","13","17","5348","","10.1039/c1ce05049d","","","0.71073","MoKα","","0.0401","0.0276","","","0.077","0.0829","","","","","","0.948","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206371","7.7391","0.0004","5.2338","0.0002","26.9102","0.0013","90","","90.321","0.005","90","","1089.98","0.09","294","2","294","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","NppM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0816","0.0512","","","0.1285","0.1405","","","","","","0.97","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206372","8.2919","0.0003","10.26","0.0003","13.5713","0.0004","90","","100.919","0.003","90","","1133.67","0.06","294","2","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NpmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0623","0.0342","","","0.0774","0.0827","","","","","","0.896","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206373","13.0101","0.0006","10.4826","0.0003","9.7957","0.0004","90","","122.729","0.006","90","","1123.84","0.11","294","2","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","NpoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.036","0.03","","","0.0785","0.0805","","","","","","0.993","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206374","10.5017","0.0005","4.8807","0.0002","21.3459","0.0009","90","","100.868","0.004","90","","1074.47","0.08","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NmpM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0993","0.0363","","","0.065","0.073","","","","","","0.766","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206375","9.3767","0.0004","9.9187","0.0003","12.3386","0.0004","86.958","0.003","86.98","0.003","71.41","0.003","1085.36","0.07","294","2","294","1","","","","","","","","4","P -1","-P 1","2","NmmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0754","0.0565","","","0.1735","0.1789","","","","","","1.094","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206376","8.0664","0.0002","9.4009","0.0002","29.5324","0.0008","90","","90","","90","","2239.48","0.1","294","2","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","NmoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.066","0.0396","","","0.1002","0.107","","","","","","0.977","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206377","6.0828","0.0002","27.0507","0.0008","7.1963","0.0003","90","","111.673","0.004","90","","1100.4","0.07","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NopM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0664","0.0347","","","0.0759","0.0828","","","","","","0.842","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206378","9.2326","0.0004","14.0836","0.0004","9.4162","0.0004","90","","105.661","0.004","90","","1178.92","0.08","294","2","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","NomM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1375","0.0292","","","0.0362","0.0446","","","","","","0.667","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206379","7.7696","0.0002","17.6232","0.0003","8.8462","0.0003","90","","114.817","0.004","90","","1099.41","0.06","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NooM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0613","0.0365","","","0.0881","0.0934","","","","","","0.926","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206380","7.36124","0.00011","14.41068","0.00019","11.21075","0.00016","90","","90","","90","","1189.24","0.03","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Cl_NopM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0297","0.026","","","0.0639","0.0652","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206381","7.417","0.002","21.006","0.004","8.546","0.002","90","","115.28","0.03","90","","1204","0.6","294","2","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-NomM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1192","0.0657","","","0.2127","0.2332","","","","","","1.004","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206382","7.3288","0.0006","7.4392","0.0005","21.5025","0.0014","90","","91.481","0.007","90","","1171.93","0.15","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl_NooM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 × 3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0531","0.0375","","","0.099","0.1034","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206383","19.87","0.002","10.8608","0.0009","4.9241","0.0005","90","","90","","90","","1062.64","0.18","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","NmpFM","","","- C25 H21 F N4 O2 -","- C25 H21 F N4 O2 -","- C50 H42 F2 N8 O4 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0448","0.0348","","","0.0888","0.0926","","","","","","1.049","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206384","9.29748","0.00017","17.0234","0.0003","11.6312","0.0002","90","","96.4898","0.0007","90","","1829.13","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O2 -","- C40 H42 N6 O2 -","- C80 H84 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.051","","","","0.0799","","","","","","1.342","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206385","9.05098","0.00016","18.4036","0.0003","10.30599","0.00019","90","","95.8851","0.0007","90","","1707.63","0.05","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N6 O2 -","- C38 H38 N6 O2 -","- C76 H76 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0573","","","","0.0923","","","","","","1.783","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206386","10.17467","0.00018","10.78264","0.00019","14.7446","0.0003","108.431","0.0007","93.431","0.0007","105.419","0.0007","1460.99","0.05","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C60 H76 N12 O4 -","2","1","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0702","","","","0.1067","","","","","","1.911","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206387","8.2371","0.0004","8.8466","0.0004","11.253","0.0005","89.726","0.003","70.2419","0.0019","83.791","0.003","766.76","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0762","","","","0.2816","","","","","","1.201","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206388","8.248","0.0003","23.4817","0.0007","9.0521","0.0003","90","","94.551","0.0016","90","","1747.66","0.1","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 N6 O2 -","- C36 H50 N6 O2 -","- C72 H100 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0527","","","","0.0794","","","","","","1.214","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206389","8.1103","0.0005","9.1024","0.0006","14.0291","0.001","80.067","0.003","88.748","0.004","78.422","0.003","999.3","0.12","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0758","","","","0.2376","","","","","","0.84","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206390","8.041","0.0009","9.1576","0.0011","14.7496","0.0018","80.917","0.006","83.981","0.006","78.266","0.005","1047.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.082","","","","0.2802","","","","","","1.111","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206391","8.1175","0.0003","12.4218","0.0004","13.0984","0.0004","62.6097","0.0016","86.3048","0.0019","76.9618","0.0018","1141.28","0.07","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0693","","","","0.0932","","","","","","1.383","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206392","6.5447","0.0002","7.4781","0.0003","8.7578","0.0003","90","","93.8955","0.0014","90","","427.63","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H8 Er N O8 -","- C4 H8 Er N O8 -","- C8 H16 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0532","0.0541","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206393","6.6118","0.0001","7.5662","0.0002","9.2756","0.0002","90","","99.8267","0.0012","90","","457.215","0.017","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H10 Er N O8 -","- C5 H10 Er N O8 -","- C10 H20 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0232","0.0214","","","0.0488","0.0492","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206394","6.6552","0.0002","18.3549","0.0005","8.4346","0.0003","90","","90","","90","","1030.33","0.06","290","","290","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0294","0.0224","","","0.0428","0.0439","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206395","6.6456","0.0003","8.0898","0.0003","20.1549","0.001","90","","90","","90","","1083.56","0.08","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0585","0.0317","","","0.0487","0.0524","","","","","","0.917","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206396","6.6973","0.0001","8.2497","0.0002","20.3822","0.0006","90","","90","","90","","1126.13","0.05","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Er N2 O8 -","- C7 H9 Er N2 O8 -","- C28 H36 Er4 N8 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0415","0.0252","","","0.0476","0.05","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206397","6.6349","0.0002","8.6371","0.0003","9.6727","0.0003","90","","102.101","0.002","90","","541.99","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O8 -","- C6 H12 Er N O8 -","- C12 H24 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0339","0.0252","","","0.0443","0.0455","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206398","6.6243","0.0002","8.6345","0.0003","9.7545","0.0002","90","","102.599","0.0014","90","","544.5","0.03","293","2","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O9 -","- C6 H12 Er N O9 -","- C12 H24 Er2 N2 O18 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.025","0.0204","","","0.0387","0.0395","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206399","16.283","0.003","20.73","0.004","7.3864","0.0013","90","","114.943","0.002","90","","2260.7","0.7","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl2 O5 -","- C22 H22 Cl2 O5 -","- C88 H88 Cl8 O20 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0809","0.059","","","0.1896","0.206","","","","","","1.111","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206400","7.6152","0.0007","9.7211","0.0009","13.3979","0.0012","73.869","0.001","84.374","0.001","89.451","0.001","948.02","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C44 H44 Cl4 O6 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.044","0.0373","","","0.0996","0.1044","","","","","","1.06","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206401","23.981","0.007","23.981","0.007","17.162","0.005","90","","90","","120","","8547","4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C396 H396 Cl36 O54 -","18","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0674","0.0508","","","0.1368","0.1484","","","","","","1.074","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206402","28.67338","0.00023","11.152871","0.000061","10.668212","0.000055","90","","90","","90","","3411.59","0.04","298","2","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Propylthiouracil","6-propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","","Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos","Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction","CrystEngComm","2011","13","17","5474","","10.1039/c1ce05362k","powder diffraction","","1.23982","synchrotron","","","","","","","","0.01572","0.0157","1.6","","","","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206403","9.959","0.0005","10.0093","0.0005","11.8264","0.0006","94.823","0.001","110.532","0.001","118.443","0.001","924.49","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","1","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0267","0.0248","","","0.0677","0.0693","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206404","7.5589","0.0005","13.892","0.0008","18.9818","0.0012","90","","97.233","0.001","90","","1977.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cu4 N10 O15.5 -","- C34 H37 Cu4 N10 O15.5 -","- C68 H74 Cu8 N20 O31 -","2","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0511","0.0364","","","0.0837","0.0921","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206405","18.87","0.002","18.87","0.002","9.7466","0.0012","90","","90","","120","","3005.6","0.6","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H56 Cl3 Co N18 O19 -","- C42 H30 Cl3 Co N18 O19 -","- C84 H60 Cl6 Co2 N36 O38 -","2","0.166667","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul","Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride","CrystEngComm","2011","13","17","5289","","10.1039/c1ce05376k","","","0.71073","MoKα","","0.1212","0.1015","","","0.2574","0.273","","","","","","1.273","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206406","9.4301","0.0007","9.4986","0.0007","12.5942","0.0009","105.235","0.002","101.467","0.002","93.622","0.002","1058.75","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0379","0.0304","","","0.076","0.0834","","","","","","1.103","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206407","15.0369","0.0005","17.5722","0.0006","24.6552","0.0008","89.796","0.002","73.261","0.002","72.496","0.002","5925.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 N6 Ni O4 P2 S4 -","- C30 H50 N6 Ni O4 P2 S4 -","- C180 H300 N36 Ni6 O24 P12 S24 -","6","3","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0983","0.0468","","","0.0989","0.1213","","","","","","1.006","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206408","10.67","0.0006","10.9118","0.0007","11.7075","0.0007","106.238","0.003","94.151","0.003","91.344","0.003","1303.92","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H46 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0292","0.0271","","","0.0779","0.0798","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206409","10.2656","0.0007","15.8195","0.0009","32.146","0.002","90","","96.754","0.004","90","","5184.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C96 H84 Cr4 Mn6 Mo24 N12 O164 -","2","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0393","0.0319","","","0.0879","0.0926","","","","","","1.058","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206410","14.275","0.002","14.3852","0.0019","15.755","0.002","115.364","0.007","93.342","0.009","112.53","0.007","2602.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0887","0.0447","","","0.1147","0.1324","","","","","","1.012","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206411","18.918","0.0013","7.3603","0.0004","12.9038","0.0007","90","","96.722","0.002","90","","1784.4","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N8 O9 -","- C14 H14 Cu N8 O9 -","- C56 H56 Cu4 N32 O36 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0265","0.0258","","","0.0718","0.0723","","","","","","1.047","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206412","8.2308","0.0003","18.9146","0.0006","11.7353","0.0004","90","","91.232","0.001","90","","1826.56","0.11","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 Cl2 Cu3 N16 O21 -","- C18 H24 Cl2 Cu3 N17 O21 -","- C36 H48 Cl4 Cu6 N34 O42 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0499","0.047","","","0.1375","0.1408","","","","","","1.06","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206413","7.067","0.004","7.563","0.004","9.867","0.005","69.266","0.007","88.868","0.008","75.042","0.007","475","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.027","0.0259","","","0.0683","0.0692","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206414","10.1419","0.0014","8.3005","0.0011","24.505","0.003","90","","108.03","0.005","90","","1961.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.5 Cu2 N8 O10.25 -","- C14 H14 Cu2 N8 O10.25 -","- C56 H56 Cu8 N32 O41 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0486","0.0378","","","0.0871","0.0918","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206415","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206416","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206417","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7206418","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206419","8.0916","0.0003","11.3472","0.0005","13.267","0.0004","90","","105.773","0.002","90","","1172.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","propallylonal, noctal, nostal, quietal, ibomal","5-Isopropyl-5-(2-bromoallyl)-barbituric acid","","- C10 H13 Br N2 O3 -","- C10 H13 Br N2 O3 -","- C40 H52 Br4 N8 O12 -","4","1","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0671","0.0439","","","0.092","0.0992","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206420","11.544","0.0003","11.5528","0.0003","20.0656","0.0005","90","","100.481","0.003","90","","2631.41","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C64 H32 Cl32 N32 O48 -","16","4","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0261","0.0235","","","0.0567","0.0572","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206421","11.3096","0.0003","12.9226","0.0004","29.1608","0.0008","90","","90","","90","","4261.8","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C96 H48 Cl48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0389","0.03","","","0.0638","0.0671","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206422","11.4204","0.0002","12.9897","0.0003","30.0304","0.0008","90","","90","","90","","4454.94","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C96 H48 Br48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0742","0.0519","","","0.0991","0.1078","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206423","17.5105","0.0012","6.6869","0.0003","13.6714","0.0009","90","","110.493","0.008","90","","1499.49","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C32 H16 Br16 N16 O24 -","8","2","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0597","0.0349","","","0.0668","0.0696","","","","","","0.883","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206424","5.2387","0.0008","7.0211","0.0011","33.169","0.006","90.775","0.017","92.741","0.012","101.073","0.008","1195.6","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C21 H40 N4 O4 -","- C21 H40 N4 O4 -","- C42 H80 N8 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1229","0.0817","","","0.2076","0.2417","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206425","51.63","0.004","4.7775","0.0003","4.129","0.0003","90","","90","","90","","1018.47","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P m n 21","P 2ac -2","31","","","","- C17 H33 N5 O4 -","- C17 H33 N5 O4 -","- C34 H66 N10 O8 -","2","0.5","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.0831","0.0793","","","0.2398","0.2424","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206426","5.404","0.0007","5.4119","0.0008","40.042","0.007","90","","96.158","0.009","90","","1164.3","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H41 N3 O4 -","- C22 H41 N3 O4 -","- C44 H82 N6 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1601","0.1129","","","0.3017","0.3339","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206427","11.3496","0.0012","16.7326","0.0019","17.71","0.002","90","","98.499","0.001","90","","3326.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1086","0.0485","","","0.07","0.08","","","","","","0.98","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206428","14.7035","0.0014","17.1809","0.0017","16.0916","0.0016","90","","104.6","0.001","90","","3933.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 N6 O8 Zn -","- C43 H42 N6 O8 Zn -","- C172 H168 N24 O32 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1097","0.0512","","","0.1107","0.1279","","","","","","0.996","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206429","11.683","0.01","15.571","0.014","26.71","0.02","90","","90","","90","","4859","7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.1 H53.9 N7.7 O9.7 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1387","0.0623","","","0.0975","0.1057","","","","","","0.85","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206430","9.7267","0.0006","10.5251","0.0007","34.007","0.002","90","","90","","90","","3481.4","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl6 N6 O8 -","- C26.75 H23.75 Cl5.25 N6 O8 -","- C107 H95 Cl21 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.0961","0.059","","","0.1687","0.206","","","","","","1.038","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206431","9.754","0.001","10.353","0.001","31.859","0.003","90","","90","","90","","3217.2","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl6 N6 O8 -","- C25 H24 Cl6 N6 O8 -","- C100 H96 Cl24 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.1195","0.0578","","","0.1242","0.1686","","","","","","1.218","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206432","22.5402","0.0006","16.4113","0.0003","15.8608","0.0005","90","","117.669","0.004","90","","5196.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54178","CuKα","","0.0838","0.0636","","","0.1527","0.1613","","","","","","0.935","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206433","12.897","0.005","13.785","0.005","29.519","0.005","90","0.005","95.998","0.005","90","0.005","5219","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","1","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54184","CuKα","","0.1362","0.0685","","","0.1519","0.1746","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206434","6.7837","0.0011","8.7711","0.0012","10.7042","0.0015","75.951","0.012","71.904","0.013","77.94","0.013","581.1","0.16","120","2","120","2","","","","","","","","3","P -1","-P 1","2","7-benzyl-6-ethynyl-7H-purine","7-benzyl-6-ethynyl-7H-purine","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0902","0.0957","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206435","4.9475","0.0007","10.0332","0.0012","21.929","0.003","90","","90","","90","","1088.5","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-benzyl-7H-purine-6-carbonitrile","7-benzyl-7H-purine-6-carbonitrile","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0531","0.045","","","0.0882","0.0924","","","","","","0.992","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206436","21.133","0.002","8.8277","0.0012","13.0345","0.0016","90","","96.616","0.01","90","","2415.5","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","9-benzyl-N-methyl-9H-purin-6-amine","9-benzyl-N-methyl-9H-purin-6-amine","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0709","0.0412","","","0.1","0.1143","","","","","","0.953","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206437","6.3306","0.0002","20.0666","0.0007","9.8174","0.0002","90","","106.713","0.004","90","","1194.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N2.5 O0.5 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0413","0.0329","","","0.0936","0.1184","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206438","16.8348","0.001","16.8841","0.0007","17.4604","0.001","90","","109.748","0.007","90","","4671.1","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 -","- C15 H11 N2 -","- C240 H176 N32 -","16","2","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0531","0.0381","","","0.0933","0.1023","","","","","","0.948","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206439","8.6367","0.0006","5.2081","0.0003","10.6375","0.0008","90","","110.579","0.008","90","","447.95","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.045","0.0361","","","0.0986","0.105","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206440","8.717","0.002","5.233","0.001","10.831","0.002","90","","110.45","0.03","90","","462.93","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","","","0.1047","0.0629","","","0.1892","0.2815","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206441","7.702","0.002","4.938","0.001","10.572","0.002","94.37","0.03","98.54","0.03","99.59","0.03","389.96","0.16","295","2","295","2","","","1500000","","","","","3","P -1","-P 1","2","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.1324","0.0764","","","0.1652","0.192","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206442","12.592","0.009","3.903","0.003","14.221","0.012","90","","110.208","0.018","90","","655.9","0.9","293.1","","293.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 S4 -","- C14 H4 F2.06 S4 -","- C28 H8 F4.12 S8 -","2","0.5","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.054","","","","0.1087","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206443","10.701","0.01","15.76","0.02","6.242","0.009","91.27","0.07","91.08","0.05","86.64","0.05","1050","2","293.1","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S4 -","- C22 H24 S4 -","- C44 H48 S8 -","2","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.063","","","","0.1439","","","","","","2.124","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206444","18.922","0.007","17.118","0.009","6.284","0.003","90","","94.23","0.03","90","","2029.9","1.6","293.1","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 S6 -","- C16 H18 S6.6 -","- C64 H72 S26.4 -","4","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.71069","MoKα","","","0.0736","","","","0.1815","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206445","9.163","0.003","15.148","0.005","29.339","0.009","90","","90","","90","","4072","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H27 Cl3 N4 O2 Pd -","- C15 H23 Cl3 N4 O2 Pd -","- C120 H184 Cl24 N32 O16 Pd8 -","8","1","","Zhou, Chunshan; Wang, Jinyun; Li, Liuyi; Wang, Ruihu; Hong, Maochun","A palladium chelating complex of ionic water-soluble nitrogen-containing ligand: the efficient precatalyst for Suzuki‒Miyaura reaction in water","Green Chemistry","2011","13","8","2100","","10.1039/c1gc15060j","","","0.71073","MoKα","","0.0436","0.0335","","","0.0973","0.1214","","","","","","1.156","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206446","13.4701","0.0015","3.835","0.0005","25.5","0.002","90","","117.94","0.002","90","","1163.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 Cl N2 O -","- C15 H7 Cl N2 O -","- C60 H28 Cl4 N8 O4 -","4","1","","Cheng, Chuang; Jiang, Bo; Tu, Shu-Jiang; Li, Guigen","[4+2+1] Domino cyclization in water for chemo- and regioselective synthesis of spiro-substituted benzo[b]furo[3,4-e][1,4]diazepine derivatives","Green Chemistry","2011","13","8","2107","","10.1039/c1gc15183e","","","0.71073","MoKα","","0.1814","0.1056","","","0.2202","0.2515","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206447","14.9522","0.0015","18.8553","0.0019","7.6472","0.0006","90","","102.114","0.002","90","","2108","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O9 -","- C22 H19 N O9 -","- C88 H76 N4 O36 -","4","1","","Cheng, Chuang; Jiang, Bo; Tu, Shu-Jiang; Li, Guigen","[4+2+1] Domino cyclization in water for chemo- and regioselective synthesis of spiro-substituted benzo[b]furo[3,4-e][1,4]diazepine derivatives","Green Chemistry","2011","13","8","2107","","10.1039/c1gc15183e","","","0.71073","MoKα","","0.1682","0.0583","","","0.0681","0.0812","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206448","14.9192","0.0014","8.4607","0.0008","34.445","0.003","90","","102.271","0.002","90","","4248.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 N8 O24 P4 Zn3 -","- C24 H60 N8 O24 P4 Zn3 -","- C96 H240 N32 O96 P16 Zn12 -","4","0.5","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0618","0.0573","","","0.1422","0.1446","","","","","","1.21","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206449","15.0025","0.0005","8.6854","0.0003","30.5449","0.0011","90","","97.181","0.001","90","","3948.9","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H52 N8 O22 P4 Zn3 -","- C20 H47 N8 O22 P4 Zn3 -","- C80 H188 N32 O88 P16 Zn12 -","4","0.5","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0617","0.0342","","","0.0623","0.0673","","","","","","0.836","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206450","9.974","0.0005","9.1804","0.0005","27.5385","0.0017","90","","90","","90","","2521.6","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0836","0.0537","","","0.108","0.1146","","","","","","1.042","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206451","27.6213","0.0012","9.1189","0.0004","9.9954","0.0005","90","","92.211","0.001","90","","2515.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H21 N2 O12 P2 Zn2 -","- C84 H84 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0623","0.0513","","","0.1324","0.1361","","","","","","1.191","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206452","10.8928","0.0002","8.7917","0.0001","27.7665","0.0004","90","","101.051","0.001","90","","2609.79","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 N2 O12 P2 Zn2 -","- C21 H34 N2 O12 P2 Zn2 -","- C84 H136 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0529","0.036","","","0.0786","0.0949","","","","","","1.055","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206453","6.4801","0.0002","15.4593","0.0008","19.1885","0.0009","90","","90","","90","","1922.26","0.15","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","El Asri, Zhor; Génisson, Yves; Guillen, Frédéric; Baslé, Olivier; Isambert, Nicolas; del Mar Sanchez Duque, Maria; Ladeira, Sonia; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe","Multicomponent reactions in ionic liquids: convenient and ecocompatible access to the 2,6-DABCO core","Green Chemistry","2011","13","9","2549","","10.1039/c1gc15635g","","x-ray","0.71073","MoKα","","0.0457","0.0342","","","0.0731","0.0778","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206465","7.759","0.005","23.455","0.005","13.184","0.005","90","0.005","97.128","0.005","90","0.005","2380.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H11 Ag N5 O3.5 -","- C8.5 H10 Ag N5 O3.5 -","- C68 H80 Ag8 N40 O28 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0603","0.0411","","","0.1155","0.1217","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206466","14.335","0.005","14.335","0.005","12.058","0.005","90","","90","","90","","2477.8","1.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4.25 H5 Ag Br N2 -","- C4.25 H5 Ag Br N2 -","- C68 H80 Ag16 Br16 N32 -","16","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71069","MoKα","","0.0395","0.0271","","","0.061","0.0628","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206467","19.3312","0.0014","27.3761","0.0014","13.1924","0.0009","90","","114.059","0.009","90","","6375.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H34.5 Ag2 N8 O10.25 -","- C21 H20 Ag2 N8 O10.25 -","- C168 H160 Ag16 N64 O82 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.207","0.0616","","","0.1408","0.169","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206468","11.468","0.005","11.741","0.005","12.142","0.005","85.682","0.005","65.808","0.005","77.33","0.005","1454.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Ag2 N8 O8 -","- C25 H32 Ag2 N8 O8 -","- C50 H64 Ag4 N16 O16 -","2","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0547","0.0376","","","0.0939","0.099","","","","","","1.024","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206469","11.406","0.005","17.637","0.005","16.979","0.005","90","0.005","106.836","0.005","90","0.005","3269","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Ag2 N8 O11.5 -","- C25 H35 Ag2 N8 O11.5 -","- C100 H140 Ag8 N32 O46 -","4","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0713","0.0385","","","0.0898","0.0971","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206470","3.8494","0.0019","3.8494","0.0019","4.894","0.005","90","","90","","90","","72.52","0.09","296","2","296","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Guo, Y. Q.; Tan, R. Q.; Li, X.; Zhao, J. H.; Luo, Z. L.; Gao, C.; Song, W. J.","Shape-controlled growth and single-crystal XRD study of submillimeter-sized single crystals of SnO","CrystEngComm","2011","13","19","5677","","10.1039/c0ce00949k","","","0.71073","MoKα","","0.0449","0.0449","","","0.0966","0.0966","","","","","","1.407","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206473","8.0956","0.0002","9.4197","0.0002","24.9028","0.0006","100.218","0.0019","94.2642","0.0018","94.0046","0.0018","1857.07","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Cu6 I9 N3 -","- C12 H36 Cu6 I9 N3 -","- C24 H72 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0561","0.0465","","","0.136","0.1385","","","","2.07","2.07","1.94","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206474","17.7014","0.0004","11.4494","0.0003","10.9541","0.0006","90","","90","","90","","2220.07","0.14","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H28 Cu3 I4 N -","- C12 H28 Cu3 I4 N -","- C48 H112 Cu12 I16 N4 -","4","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0789","0.0388","","","0.0819","0.0946","","","","1.08","1.08","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206475","24.8265","0.0004","24.8265","0.0004","55.983","0.008","90","","102.811","","90","","33646","5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C217.5 Cu26 I40 N14 -","- C217.5 Cu26 I40 N14 -","- C870 Cu104 I160 N56 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.1254","0.0913","","","0.0947","0.0963","","","","3.16","3.16","2.61","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206476","12.5384","0.0001","24.4794","0.0004","14.7686","0.0002","90","","110.433","0.0015","90","","4247.76","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H132 Cu6 I9 N3 -","- C60 H132 Cu6 I9 N3 -","- C120 H264 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0324","0.0324","","","0.0641","0.0649","","","","0.74","0.74","0.74","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206477","19.5502","0.0003","18.6851","0.0003","28.3015","0.0006","90","","91.4321","0.0015","90","","10335.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H312 Cu17 I23 N6 -","- C80 Cu17 I23 N6 -","- C160 Cu34 I46 N12 -","2","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.2161","0.0881","","","0.1992","0.2155","","","","2.88","2.88","1.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206478","11.7445","0.0006","20.9082","0.001","29.5195","0.0019","90","","97.908","0.005","90","","7179.8","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.744 H92.435 Cu4 I6 N2 -","- C56 H90 Cu4 I6 N2 -","- C224 H360 Cu16 I24 N8 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.3622","0.0585","","","0.1071","0.2141","","","","1.02","1.02","0.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206479","14.1659","0.0004","15.115","0.0004","15.5887","0.0004","73.08","0.001","64.458","0.001","88.402","0.002","2862.77","0.14","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","1","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0597","0.0387","","0.0809","0.0403","0.0386","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206480","23.3664","0.0008","37.452","0.002","12.1573","0.0008","90","","105.626","0.006","90","","10245.9","1","180","","180","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C85 H108 K2 Mo N17 Ni3 O14 S6 -","- C85 H104 K2 Mo N17 Ni3 O14 S6 -","- C340 H416 K8 Mo4 N68 Ni12 O56 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1509","0.062","","0.1563","0.0641","0.0653","","","","","","1.0872","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206481","23.4893","0.0011","33.2913","0.0015","15.1039","0.0006","90","","116.265","0.002","90","","10591.7","0.8","180","","180","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C392 H464 Mo4 N60 Na8 Ni16 O64 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0766","0.04","","0.083","0.0414","0.0392","","","","","","1.0906","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206482","7.403","0.0005","16.486","0.001","18.0343","0.0011","90","","90","","90","","2201","0.2","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H24 Cu K N3 O4 S -","- C22 H24 Cu K N3 O4 S -","- C88 H96 Cu4 K4 N12 O16 S4 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.045","0.0317","","0.0459","0.0385","0.0373","","","","","","1.0364","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206483","18.19","0.009","18.19","0.009","11.78","0.005","90","","90","","120","","3376","3","110","","110","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C40 H47 K N4 Ni2 O10 -","- C40 H44 K N4 Ni2 O10 -","- C120 H132 K3 N12 Ni6 O30 -","3","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1189","0.0862","","0.1274","0.0892","0.0859","","","","","","1.0524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206484","19.772","0.004","9.997","0.002","23.51","0.005","90","","105.5","0.03","90","","4478","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cd N6 O6 -","- C21 H25 Cd N6 O6 -","- C168 H200 Cd8 N48 O48 -","8","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0458","0.0402","","","0.1111","0.115","","","","","","1.171","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206485","10.233","0.002","14.009","0.003","14.022","0.003","67.35","0.03","84.67","0.03","71.07","0.03","1753.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd N9 O8 -","- C33 H38 Cd N9 O8 -","- C66 H76 Cd2 N18 O16 -","2","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0574","0.0508","","","0.1305","0.1357","","","","","","1.113","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206486","16.654","0.003","14.174","0.003","11.524","0.002","90","","90","","90","","2720.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 Co N6 O8 -","- C25 H28 Co N6 O8 -","- C100 H112 Co4 N24 O32 -","4","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0575","0.0545","","","0.112","0.1136","","","","","","1.218","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206487","4.9675","0.001","9.4623","0.0019","11.725","0.002","89.81","0.03","89.29","0.03","79.03","0.03","541.01","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","1","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0757","0.0721","","","0.2002","0.2034","","","","","","1.182","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206488","4.4497","0.0009","8.131","0.0016","21.526","0.005","90","","101.42","0.03","90","","763.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C32 H40 N12 -","2","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0896","0.0738","","","0.2176","0.2396","","","","","","1.19","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206489","19.7268","0.0004","8.3772","0.0002","10.1372","0.0002","90","","98.644","0.002","90","","1656.2","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclopentylidene)isonicotinohydrazide) .(3-hydroxybenzoic acid)","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0455","0.0333","","","0.0834","0.0855","","","","","","0.975","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206490","21.3902","0.0015","7.8621","0.0005","11.2995","0.0007","90","","97.986","0.003","90","","1881.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclooctylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0506","0.0459","","","0.1286","0.1329","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206491","24.467","0.0016","7.3712","0.0005","10.8211","0.0006","90","","99.666","0.006","90","","1923.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(1-p-tolylethylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0527","","","0.1515","0.1631","","","","","","0.722","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206492","9.8338","0.0009","10.2475","0.0009","10.8863","0.001","104.295","0.008","112.784","0.008","103.37","0.008","912.17","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(N'-(diphenylmethylene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","1","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0616","0.0568","","","0.1575","0.1618","","","","","","1.044","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206493","6.3511","0.0006","10.5853","0.0008","12.8026","0.0012","75.694","0.007","78.613","0.008","81.087","0.007","812.47","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(propan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C32 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0584","0.0335","","","0.0703","0.0741","","","","","","0.832","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206494","6.3699","0.0002","10.9498","0.0003","12.812","0.0003","81.009","0.001","80.566","0.001","83.859","0.001","867.67","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(butan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0498","0.0408","","","0.1075","0.1144","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206495","6.3632","0.0006","10.8918","0.001","13.3842","0.0012","87.434","0.007","80.241","0.008","83.083","0.008","907.26","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(N'-(cyclohexylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0557","0.0487","","","0.1289","0.1338","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206496","6.3127","0.0004","11.4293","0.0006","26.1598","0.0015","90","","91.109","0.005","90","","1887.07","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N'-(cycloheptylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0515","0.0453","","","0.1217","0.1257","","","","","","0.984","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206497","6.1506","0.0005","10.5426","0.0006","16.2041","0.0012","73.603","0.006","90.403","0.006","79.32","0.006","988.57","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(4-methylbenzylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0501","","","0.137","0.143","","","","","","1.016","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206498","21.9371","0.0008","21.9371","0.0008","21.9371","0.0008","90","","90","","90","","10556.9","0.7","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H40 Mn2 N6 Na O22.5 S6 -","- C36 H18 Mn2 N6 Na O22.5 S6 -","- C288 H144 Mn16 N48 Na8 O180 S48 -","8","0.166667","","Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao","A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer","CrystEngComm","2011","13","19","5951","","10.1039/c1ce05154g","","","0.71073","MoKα","","0.079","0.076","","","0.2489","0.2551","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206499","7.0908","0.0005","10.8703","0.0008","26.4114","0.0017","90","","97.608","0.001","90","","2017.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O7 Pb S -","- C20 H12 N2 O7 Pb S -","- C80 H48 N8 O28 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal–organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0646","","","","","","0.99","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206500","7.316","0.0014","10.8418","0.0014","12.355","0.003","80.397","0.003","87.938","0.002","83.928","0.002","960.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N2 O9 Pb S -","- C18 H16 N2 O9 Pb S -","- C36 H32 N4 O18 Pb2 S2 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0455","0.0375","","","0.0774","0.0819","","","","","","1.04","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206501","19.2816","0.0015","6.9457","0.0006","14.1263","0.0012","90","","100.807","0.002","90","","1858.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O8 Pb S -","- C18 H14 N2 O8 Pb S -","- C72 H56 N8 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal–organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.065","0.0412","","","0.072","0.0795","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206502","11.9149","0.0014","7.2161","0.0008","12.6352","0.0014","90","","103.615","0.002","90","","1055.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 O8 Pb S -","- C8 H6 O8 Pb S -","- C32 H24 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal–organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0461","0.0299","","","0.0589","0.0648","","","","","","0.966","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206503","6.9683","0.0012","7.5316","0.0012","30.887","0.005","85.113","0.003","84.509","0.003","63.01","0.002","1436.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O15 Pb3 S2 -","- C26 H16 N2 O15 Pb3 S2 -","- C52 H32 N4 O30 Pb6 S4 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0679","0.0526","","","0.124","0.1341","","","","","","0.997","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206504","7.3119","0.0008","22.365","0.003","7.5899","0.0008","90","","111.923","0.002","90","","1151.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 O8 Pb2 S -","- C8 H4 O8 Pb2 S -","- C32 H16 O32 Pb8 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0632","0.0422","","","0.0875","0.0984","","","","","","0.991","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206505","16.955","0.001","8.2338","0.0006","13.63","0.001","90","","108.551","0.007","90","","1803.9","0.2","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N6 O2 S2 -","- C14 H12 Co N6 O2 S2 -","- C56 H48 Co4 N24 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0473","0.0293","","","0.0761","0.0856","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206506","6.5705","0.0006","7.353","0.0007","9.6541","0.0008","96.773","0.007","92.797","0.007","109.334","0.008","435.12","0.07","296","","296","","","","","","","","see text","6","P -1","-P 1","2","","","","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0287","0.0252","","","0.071","0.075","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206507","16.9021","0.0003","8.2084","0.0002","13.5353","0.0003","90","","108.613","0.002","90","","1779.66","0.07","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N6 Ni O2 S2 -","- C14 H12 N6 Ni O2 S2 -","- C56 H48 N24 Ni4 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0554","0.034","","","0.0648","0.0749","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206508","12.735","0.003","20.53","0.004","18.882","0.004","90","","90","","90","","4936.7","1.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H58 F18 N5 O4 P3 -","- C42 H58 F18 N5 O4 P3 -","- C168 H232 F72 N20 O16 P12 -","4","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate–water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H–bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1001","0.0843","","","0.1944","0.208","","","","","","1.1","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206509","13.498","0.003","13.84","0.003","13.99","0.003","92.13","0.03","105.5","0.03","101.33","0.03","2458.2","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O16 -","- C44 H67 N9 O16 -","- C88 H134 N18 O32 -","2","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate–water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H–bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1181","0.0716","","","0.1772","0.2045","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206510","10.4135","0.0005","25.2037","0.0013","19.5818","0.0011","90","","90","","90","","5139.4","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H64 Cu N10 O26 -","- C36 H62 Cu N10 O26 -","- C144 H248 Cu4 N40 O104 -","4","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0495","0.0372","","","0.0954","0.1028","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206511","15.84","0.02","24.75","0.02","7.724","0.008","90","","92.88","0.02","90","","3024","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Cl4 N8 O13 Zn2 -","- C32 H40 Cl4 N8 O13 Zn2 -","- C64 H80 Cl8 N16 O26 Zn4 -","2","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0507","0.041","","","0.1282","0.1357","","","","","","0.809","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206512","7.8072","0.0018","10.931","0.003","13.796","0.003","78.771","0.004","78.627","0.003","87.263","0.004","1132.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","1","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0516","0.0351","","","0.0847","0.0905","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206513","5.1577","0.0012","21.085","0.005","21.538","0.005","90","","95.032","0.004","90","","2333.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br4 N8 O12 Zn2 -","- C36 H44 Br4 N8 O12 Zn2 -","- C72 H88 Br8 N16 O24 Zn4 -","2","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0978","0.1054","","","","","","0.89","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206514","18.484","0.005","11.438","0.003","9.597","0.003","90","","90","","90","","2029","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H16 Br2 N4 O4 Zn -","- C15 H16 Br2 N4 O4 Zn -","- C60 H64 Br8 N16 O16 Zn4 -","4","1","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.1074","0.0595","","","0.1367","0.1605","","","","","","1.003","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206515","12.136","0.01","10.495","0.008","16.018","0.013","90","","98.568","0.009","90","","2017","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Br2 N4 O4 Zn -","- C16 H18 Br2 N4 O4 Zn -","- C64 H72 Br8 N16 O16 Zn4 -","4","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0477","0.0325","","","0.081","0.0866","","","","","","1.042","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206516","14.0471","0.0012","5.3712","0.0004","8.5718","0.0008","90","","106.483","0.003","90","","620.16","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0679","0.0383","","","0.0772","0.0865","","","","","","0.917","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206517","8.1989","0.0012","11.5438","0.0018","14.516","0.002","113.323","0.005","90","","90","","1261.6","0.3","293","2","293","2","","","","","","","","3","P 21/b 1 1","-P 2xab","14","3-hydroxybenzylalcohol Form I","3-hydroxybenzylalcohol Form I","","- C7 H8 O2 -","- C7 H8 O2 -","- C56 H64 O16 -","8","2","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.1159","0.0504","","","0.1037","0.1215","","","","","","0.957","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206518","8.1867","0.0011","17.19","0.002","13.7935","0.0018","90","","101.432","0.002","90","","1902.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxybenzylalcohol Z' = 3","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0614","0.0382","","","0.0963","0.1113","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206519","9.448","0.007","10.894","0.008","5.873","0.004","90","","90","","90","","604.5","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.062","0.0443","","","0.118","0.13","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206520","10.434","0.0003","6.7029","0.0002","20.4814","0.0006","90","","103.747","0.002","90","","1391.4","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0873","0.0645","","","0.1711","0.1867","","","","","","1.062","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7206521","13.0921","0.0003","8.7487","0.0002","13.6578","0.0004","90","","118.265","0.001","90","","1377.83","0.06","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1128","0.0863","","","0.1776","0.1924","","","","","","1.099","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206522","9.7297","0.0002","12.8208","0.0002","11.5304","0.0002","90","","104.902","0.001","90","","1389.96","0.04","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0718","0.0596","","","0.1398","0.1476","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206523","7.2182","0.0002","19.7365","0.0004","11.3467","0.0003","90","","90.404","0.001","90","","1616.43","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21 1","P 2yb","4","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C48 H76 B40 N4 O4 -","4","2","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0619","0.054","","","0.1172","0.1231","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206524","25.8502","0.0004","9.7968","0.0002","12.8393","0.0002","90","","96.41","0.001","90","","3231.22","0.1","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C96 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0669","0.0553","","","0.1406","0.1516","","","","","","0.998","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206525","9.8268","0.0002","13.4445","0.0004","11.3957","0.0003","90","","105.64","0.002","90","","1449.82","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","TPMec018_I","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C36 H76 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.088","0.064","","","0.1541","0.1729","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206526","11.6364","0.0016","11.4228","0.0016","13.1428","0.0014","90","","105.666","0.012","90","","1682","0.4","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C52 H84 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1483","0.0989","","","0.2428","0.2752","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206527","10.4622","0.0002","10.4196","0.0003","30.6975","0.0009","90","","90","","90","","3346.39","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","P b c a","-P 2ac 2ab","61","CQMec020","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C104 H168 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1111","0.066","","","0.1585","0.1813","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206528","21.1947","0.0007","7.1376","0.0002","19.7547","0.0006","90","","92.129","0.002","90","","2986.41","0.16","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","SPCB022","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0774","0.0583","","","0.1584","0.1715","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206529","5.441","0.0002","12.226","0.0004","21.705","0.0007","90","","101.04","0.002","90","","1417.13","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ticlopidine hydrochloride form II","5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride","","- C14 H15 Cl2 N S -","- C14 H15 Cl2 N S -","- C56 H60 Cl8 N4 S4 -","4","1","","Martins, Felipe T.; deLima, Patrícia V.; Azarias, Lilian C.; de Abreu, Polyana J.; Neves, Person P.; Legendre, Alexandre O.; de Andrade, Fabiano M.; de Oliveira, Guilherme R.; Ellena, Javier; Doriguetto, Antônio C.","Increasing the symmetry of drug crystals: a monoclinic conformational polymorph of the platelet antiaggregating agent ticlopidine hydrochloride","CrystEngComm","2011","13","19","5737","","10.1039/c1ce05453h","","","0.71073","MoKα","","0.0703","0.0533","","","0.1436","0.1624","","","","","","1.109","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206530","10.3604","0.0007","10.3604","0.0007","14.5059","0.001","90","","90","","90","","1557.03","0.18","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 Gd N O8.5 -","- C9 H3 Gd O7 -","- C36 H12 Gd4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0319","0.0285","","","0.0641","0.0653","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206531","10.3635","0.0007","10.3635","0.0007","13.8321","0.0018","90","","90","","90","","1485.6","0.2","473","2","473","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0479","0.0334","","","0.0691","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206532","10.3625","0.0007","10.3625","","13.8473","0.0019","90","","90","","90","","1486.9","0.2","473","2","473","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0284","0.0224","","","0.0542","0.0575","","","","","","1.008","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206533","10.471","0.0015","10.471","0.0015","14.645","0.004","90","","90","","90","","1605.7","0.5","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H15 Gd O12 -","- C9 H3 Gd O12 -","- C36 H12 Gd4 O48 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.044","0.0356","","","0.0794","0.084","","","","","","0.973","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206534","10.3197","0.0004","10.3197","0.0004","14.0444","0.001","90","","90","","90","","1495.68","0.13","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0513","0.0519","","","","","","1.026","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206535","10.3008","0.0013","10.3008","0.0013","14.385","0.004","90","","90","","90","","1526.3","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0357","0.0329","","","0.0784","0.0798","","","","","","1.019","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206536","10.339","0.002","10.339","0.002","14.057","0.006","90","","90","","90","","1502.6","0.8","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0279","0.0272","","","0.0632","0.0636","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206537","10.3159","0.0012","10.3159","0.0012","14.45","0.003","90","","90","","90","","1537.7","0.4","150","2","150","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0344","0.0325","","","0.089","0.0902","","","","","","0.994","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206538","10.3149","0.0014","10.3149","0.0014","14.339","0.004","90","","90","","90","","1525.6","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0379","0.0352","","","0.0828","0.0847","","","","","","1.068","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206539","5.18289","0.00048","11.194","0.0012","5.43875","0.00053","90","","90","","90","","315.54","0.05","315","","315","","11.75","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.32","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206540","5.13617","0.00071","11.1258","0.0019","5.41457","0.00076","90","","90","","90","","309.41","0.08","340","","340","","13.6","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.266","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206541","25.783","0.002","11.8912","0.0008","14.6506","0.0011","90","","90","","90","","4491.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","((CH3CH2)4N)3(Ag6Br5.61(CN)3.39)","[(CH3CH2)4N]3[Ag6Br5.61(CN)3.39]","","- C27.39 H60 Ag6 Br5.61 N6.39 -","- C27.3848 H60 Ag6 Br5.6152 N6.3848 -","- C109.539 H240 Ag24 Br22.4608 N25.5392 -","4","0.5","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0598","0.0477","","","0.1441","0.1531","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206542","24.6059","0.0016","24.6059","0.0016","24.6059","0.0016","90","","90","","90","","14897.6","1.7","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","((C3H7)N)3Ag8I7(CN)4","[(C3H7)N]3Ag8I7(CN)4","","- C40 H84 Ag8 I7 N7 -","- C40 H84 Ag8 I7 N7 -","- C320 H672 Ag64 I56 N56 -","8","0.0833333","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0427","0.0278","","","0.0615","0.0662","","","","","","1.007","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206543","35.923","0.006","20.557","0.003","16.968","0.003","90","","90","","90","","12530","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C468 H324 Fe12 N72 O72 -","12","1.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1312","0.0989","","0.2938","","0.265","","","1.03","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206544","13.246","0.014","22.9","0.02","17.291","0.018","90","","96.236","0.018","90","","5214","9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag B F4 Fe N6 O10 -","- C55 H59 Ag B F4 Fe N6 O10 -","- C220 H236 Ag4 B4 F16 Fe4 N24 O40 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2417","0.1194","","0.3881","","0.3169","","","1.05","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206545","13.359","0.003","23.669","0.005","17.737","0.004","90","","97.697","0.002","90","","5558","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag F6 Fe N6 O10 P -","- C55 H59 Ag F6 Fe N6 O10 P -","- C220 H236 Ag4 F24 Fe4 N24 O40 P4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.0748","0.0635","","0.1669","","0.1625","","","1.138","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206546","20.806","0.003","17.767","0.003","25.939","0.004","90","","98.751","0.002","90","","9477","3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H27 Ag F3 Fe N6 O9 S -","- C40 H27 Ag F3 Fe N6 O9 S -","- C320 H216 Ag8 F24 Fe8 N48 O72 S8 -","8","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1507","0.0996","","0.3047","0.2708","","","","0.936","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206547","20.341","0.003","17.552","0.003","26.677","0.004","90","","93.888","0.002","90","","9502","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Ag3 Fe2 N15 O21 -","- C78 H54 Ag3 Fe2 N15 O21 -","- C312 H216 Ag12 Fe8 N60 O84 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1308","0.0886","","0.2611","0.2328","","","","0.774","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206548","27.6841","0.0011","27.6841","0.0011","17.4801","0.0014","90","","90","","120","","11602.1","1.1","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C152 H116 Ag5 Fe3 N18 O33 S5 -","- C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66 -","- C261.72 H162 Ag10 Fe6 N36 O47.88 S1.32 -","2","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2368","0.1667","","0.455","","0.4279","","","1.429","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206549","13.2081","0.0006","22.073","0.001","18.8381","0.0009","90","","93.242","0.001","90","","5483.3","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H86 Cl4 Fe3 N26 O20 S2 -","- C110 H82 Fe3 N26 O2 S2 -","- C220 H164 Fe6 N52 O4 S4 -","2","0.5","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0661","0.048","","","0.1376","0.1472","","","","","","1.004","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206550","12.2473","0.0004","12.6914","0.0005","13.711","0.0005","79.294","0.001","74.263","0.001","69.511","0.001","1911.75","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H31 Cl2 Fe N8 O8.5 -","- C42 H29 Fe N8 -","- C84 H58 Fe2 N16 -","2","1","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0655","0.0492","","","0.1282","0.1351","","","","","","1.012","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206551","29.713","0.011","17.135","0.007","15.277","0.006","90","","97.121","0.009","90","","7718","5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H79 Cd3 N7 O19 -","- C75 H79 Cd3 N7 O19 -","- C300 H316 Cd12 N28 O76 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1124","0.0759","","","0.1924","0.2191","","","","","","1.069","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206552","9.1268","0.0002","26.2489","0.0007","15.3536","0.0004","90","","91.42","0.001","90","","3677.11","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35.5 Cd N2.5 O9.5 -","- C38.5 H26 Cd N2.5 O9.5 -","- C154 H104 Cd4 N10 O38 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.064","0.0566","","","0.1731","0.1797","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206553","16.8416","0.0006","29.9444","0.0009","15.9876","0.0005","90","","98.076","0.001","90","","7982.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H99 Cd3 N7 O32 -","- C64 H38 Cd2 N2 O12 -","- C256 H152 Cd8 N8 O48 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.0693","0.0506","","","0.161","0.1775","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206554","28.055","0.01","17.775","0.006","18.682","0.007","90","","117.571","0.009","90","","8258","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd3 N12 O18 -","- C84 H84 Cd3 N12 O18 -","- C336 H336 Cd12 N48 O72 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1894","0.0721","","","0.1445","0.2044","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206555","25.762","0.003","11.0918","0.0013","30.006","0.004","90","","110.333","0.001","90","","8039.9","1.7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C80 H328 Co12 In24 N80 O4 S84 Sb24 -","4","0.5","","Zhou, Jian; An, Litao","A novel 3-D thioindate-thioantimonate based on the linkages of large heterometallic {In2Sb2S9} clusters and 1-D [In2Sb2S84−]n chains","CrystEngComm","2011","13","19","5924","","10.1039/c1ce05551h","","","0.71073","MoKα","","0.0427","0.037","","","0.1299","0.134","","","","","","1.152","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206556","31.93","0.008","6.041","0.002","7.424","0.001","90","","97.04","0.01","90","","1421.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π–π or furan–perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0577","","","","0.1146","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206557","6.4323","0.0009","7.278","0.001","22.578","0.004","90","","93.06","0.01","90","","1055.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 F10 N2 O2 -","- C24 H8 F10 N2 O2 -","- C48 H16 F20 N4 O4 -","2","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π–π or furan–perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0554","","","","0.1339","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206558","4.7787","0.0002","6.5029","0.0004","13.9073","0.0005","78.371","0.003","83.747","0.003","87.099","0.004","420.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","1","1","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π–π or furan–perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0568","","","","0.1655","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206559","14.463","0.002","4.8155","0.0007","14.291","0.002","90","","116.922","0.011","90","","887.5","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C28 H40 N8 O24 -","4","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide–N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0987","0.0457","","","0.0841","0.0989","","","","","","0.898","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206560","7.7075","0.0007","18.7331","0.0015","8.3841","0.0007","90","","105.034","0.007","90","","1169.11","0.18","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ca N2 O8 -","- C7 H12 Ca N2 O8 -","- C28 H48 Ca4 N8 O32 -","4","1","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0365","0.0268","","","0.0624","0.0654","","","","","","1.011","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206561","6.6989","0.0009","19.186","0.002","22.557","0.003","90","","96.501","0.011","90","","2880.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Ca4 Cu4 N8 O46 -","- C28 H64 Ca4 Cu4 N8 O46 -","- C56 H128 Ca8 Cu8 N16 O92 -","2","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.1098","0.0572","","","0.102","0.1149","","","","","","0.956","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206562","22.8907","0.0009","22.8907","0.0009","62.003","0.004","90","","90","","120","","28136","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 Co6 N24 O37 -","- C204 H181.99 Co6 N24 O37 -","- C1224 H1091.94 Co36 N144 O222 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.2369","0.1216","","","0.3206","0.3863","","","","","","1.045","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206563","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206564","9.768","0.002","10.475","0.002","10.64","0.002","74.74","0.03","80.82","0.03","69.5","0.03","981","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 S -","- C19 H15 Ag N4 O3 S -","- C38 H30 Ag2 N8 O6 S2 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0287","0.0255","","","0.0624","0.064","","","","","","1.047","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206565","9.2284","0.0018","9.4398","0.0019","17.845","0.004","90","","92.018","0.004","90","","1553.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0414","0.0379","","","0.0929","0.0954","","","","","","1.143","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206566","9.1859","0.0015","9.691","0.0016","20.348","0.003","90","","115.309","0.006","90","","1637.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0338","0.032","","","0.0769","0.0779","","","","","","1.159","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206567","9.4587","0.0019","9.989","0.002","18.523","0.004","90","","90.07","0.03","90","","1750.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0364","0.0308","","","0.0826","0.0857","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206568","9.4187","0.0019","10.098","0.002","10.271","0.002","111.21","0.03","106.08","0.03","91.41","0.03","866.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Ag F3 N4 O2 -","- C16 H12 Ag F3 N4 O2 -","- C32 H24 Ag2 F6 N8 O4 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0385","0.0339","","","0.0849","0.0908","","","","","","1.115","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206569","7.362","0.0018","12.946","0.002","13.628","0.0013","90","","91.312","0.003","90","","1298.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N7 Ni O5 Zn -","- C15 H16 N7 Ni O5 Zn -","- C30 H32 N14 Ni2 O10 Zn2 -","2","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.0979","0.0597","","","0.1178","0.1251","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206570","7.4474","0.0012","7.4474","0.0012","13.05","0.004","90","","90","","90","","723.8","0.3","291","2","291","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.025","0.0216","","","0.0581","0.0596","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206571","12.6429","0.0019","7.9421","0.0012","12.4142","0.0019","90","","99.785","0.002","90","","1228.4","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 Ni Zn -","- C8 H6 N6 Ni Zn -","- C32 H24 N24 Ni4 Zn4 -","4","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.032","0.0232","","","0.0533","0.0563","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206572","6.9915","0.0009","11.7916","0.0015","13.0707","0.0016","69.367","0.001","81.976","0.002","85.836","0.002","998.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag B F4 N3 -","- C22 H15 Ag B F4 N3 -","- C44 H30 Ag2 B2 F8 N6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0366","0.0306","","","0.0699","0.073","","","","","","1.037","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206573","8.3032","0.001","11.4028","0.0011","12.3817","0.001","76.926","0.002","83.328","0.001","72.711","0.002","1088.8","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag F6 N3 Sb -","- C22 H15 Ag F6 N3 Sb -","- C44 H30 Ag2 F12 N6 Sb2 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0367","0.0261","","","0.05","0.0547","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206574","9.3343","0.0014","10.0902","0.0016","11.2321","0.0018","106.904","0.002","95.69","0.002","106.701","0.002","950","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Ag F3 N2 O2 -","- C22 H12 Ag F3 N2 O2 -","- C44 H24 Ag2 F6 N4 O4 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0426","0.03","","","0.0628","0.0694","","","","","","1.032","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206575","23.6617","0.0012","9.5813","0.0005","20.3753","0.0016","90","","119.684","0.001","90","","4013.1","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Ag F5 N2 O2 -","- C23 H12 Ag F5 N2 O2 -","- C184 H96 Ag8 F40 N16 O16 -","8","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0378","0.0282","","","0.0605","0.0663","","","","","","1.027","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7206576","9.3176","0.0009","9.8539","0.0009","10.8856","0.001","113.664","0.001","94.632","0.001","105.517","0.001","861.78","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Ag N3 O3 -","- C20 H12 Ag N3 O3 -","- C40 H24 Ag2 N6 O6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.021","0.0194","","","0.0485","0.0494","","","","","","1.057","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206577","12.6144","0.0011","11.932","0.001","13.318","0.0011","90","","106.702","0.001","90","","1920","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Ag F3 N2 O3 S -","- C21 H12 Ag F3 N2 O3 S -","- C84 H48 Ag4 F12 N8 O12 S4 -","4","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0483","0.0316","","","0.0695","0.0773","","","","","","1.027","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7206578","13.7192","0.0013","15.7383","0.001","13.6309","0.001","90","","119.689","0.004","90","","2556.8","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","MnL1ClO4","","","- C22 H28 Cl Mn N2 O10 -","- C22 H32 Cl Mn N2 O11 -","- C88 H128 Cl4 Mn4 N8 O44 -","4","1","","González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino","Manganese-Schiff base complexes as catalysts for water photolysis.","Physical chemistry chemical physics : PCCP","2011","13","40","18069","18077","10.1039/c1cp21154d","","x-ray","1.5418","CuKα","","0.0899","0.0794","","","0.2112","0.2202","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206579","4.8367","0.0006","12.1128","0.0018","30.967","0.005","90","","90","","90","","1814.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N6 O6 S -","- C15 H20 N6 O6 S -","- C60 H80 N24 O24 S4 -","4","1","","Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng","Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.","Physical chemistry chemical physics : PCCP","2011","13","38","17405","17412","10.1039/c1cp22116g","","","0.71073","MoKα","","0.0752","0.0526","","","0.1052","0.1196","","","","","","1.086","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206580","13.179","0.003","7.241","0.0019","15.27","0.004","90","","101.58","0.003","90","","1427.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-dimethylamino-2-benzylidene malonic acid dimethyl ester","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0678","0.0547","","","0.1572","0.1743","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206581","14.7372","0.0012","7.5331","0.0006","15.9358","0.0013","90","","115.266","0.001","90","","1599.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0959","0.0632","","","0.1997","0.2359","","","","","","1.035","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206582","23.263","0.003","7.821","0.001","19.649","0.002","90","","116.614","0.0017","90","","3196.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C128 H168 N8 O32 -","8","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0888","0.0464","","","0.1164","0.1378","","","","","","1.016","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206583","9.3488","0.0017","9.504","0.003","13.036","0.003","74.37","0.02","72.819","0.017","84.648","0.018","1065.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H- pyrido(3,2,1-jk)carbazole","4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H-pyrido[3,2,1-jk]carbazole","","- C28 H24 Cl N -","- C28 H24 Cl N -","- C56 H48 Cl2 N2 -","2","1","","Chitra, Selvam; Paul, Nidhin; Muthusubramanian, Shanmugam; Manisankar, Paramasivam","A facile, water mediated, microwave-assisted synthesis of 4,6-diaryl-2,3,3a,4-tetrahydro-1H-pyrido[3,2,1-jk]carbazoles by a domino Fischer indole reaction–intramolecular cyclization sequence","Green Chemistry","2011","13","10","2777","","10.1039/c1gc15483d","","","0.71073","MoKα","","0.06","0.0442","","","0.1374","0.1562","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206596","6.5724","0.0015","8.922","0.002","10.621","0.004","108.461","0.005","94.233","0.005","110.179","0.003","542.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl0 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0243","0.0224","","","0.0611","0.062","","","","","","1.087","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206597","5.2676","0.0011","10.446","0.002","10.739","0.002","116.41","0.03","103.82","0.03","92.64","0.03","506","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0326","0.0269","","","0.0728","0.0748","","","","","","1.16","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206598","7.6459","0.0015","27.929","0.006","11.311","0.002","90","","91.84","0.03","90","","2414.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CDPA-DMAP","","","- C29 H26 N4 O2 -","- C29 H26 N4 O2 -","- C116 H104 N16 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.0697","0.0555","","","0.1498","0.1637","","","","","","1.105","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206599","20.497","0.008","6.687","0.003","20.628","0.008","90","","118.114","0.007","90","","2493.8","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CDPA-Propylamine","","","- C26 H26.5 N3.5 O2 -","- C26 H26.5 N3.5 O2 -","- C104 H106 N14 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.1027","0.0834","","","0.216","0.2298","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206600","6.822","0.01","10.44","0.02","8.87","0.015","90","","101.396","0.013","90","","619.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(N4CCH2CH2COO)]n","[Zn(N4CCH2CH2COO)]n","","- C4 H4 N4 O2 Zn -","- C4 H4 N4 O2 Zn -","- C16 H16 N16 O8 Zn4 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0276","0.0236","","","0.0589","0.0613","","","","","","1.063","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206601","8.371","0.004","22.545","0.01","9.785","0.005","90","","112.603","0.001","90","","1704.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","","- C14 H13 N9 O3 Zn2 -","- C14 H12 N9 O3 Zn2 -","- C56 H48 N36 O12 Zn8 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0491","0.0404","","","0.0888","0.0951","","","","","","1.092","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206602","14.992","0.003","7.602","0.003","9.47","0.002","90","","105.271","0.019","90","","1041.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","","- C18 H16 N10 O4 Zn2 -","- C18 H16 N10 O4 Zn2 -","- C36 H32 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.1294","0.0768","","","0.1418","0.1541","","","","","","0.979","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206603","11.494","0.002","14.205","0.003","9.7499","0.0019","90","","98.87","0.03","90","","1572.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 I2 N3 O2 Pb -","- C12 H7 I2 N3 O2 Pb -","- C48 H28 I8 N12 O8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0617","0.0593","","","0.1316","0.133","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206604","10.178","0.002","19.652","0.004","8.1846","0.0016","90","","116.79","0.03","90","","1461.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 I2 N3 Pb -","- C12 H9 I2 N3 Pb -","- C48 H36 I8 N12 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0598","0.0542","","","0.1292","0.1439","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206605","11.698","0.002","14.156","0.003","9.4216","0.0019","90","","98.16","0.03","90","","1544.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl I2 N2 Pb -","- C12 H7 Cl I2 N2 Pb -","- C48 H28 Cl4 I8 N8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.1047","0.0892","","","0.1854","0.1941","","","","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206606","15.4705","0.0003","11.8919","0.0003","7.849","0.0002","88.252","0.002","95.429","0.002","92.534","0.002","1435.62","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0477","0.0307","","","0.0741","0.0775","","","","","","0.968","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206607","15.4905","0.0017","12.0219","0.0009","7.8804","0.0007","88.69","0.008","95.03","0.009","90.906","0.008","1461.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1226","0.0734","","","0.1936","0.2157","","","","","","0.845","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206608","15.4955","0.0007","12.1132","0.0006","7.9099","0.0007","88.155","0.006","95.227","0.006","90.875","0.004","1477.63","0.16","438","2","438","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0826","0.0572","","","0.1378","0.1452","","","","","","0.938","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206609","15.456","0.003","12.141","0.003","7.915","0.005","89.727","0.018","95.358","0.018","90.177","0.017","1478.7","1","503","2","503","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1113","0.0498","","","0.1213","0.1384","","","","","","0.966","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206610","15.404","0.005","12.082","0.004","7.885","0.002","90","","94.95","0.02","90","","1462","0.8","533","2","533","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C6 H5.5 Co0.25 N O3 V -","- C6 H5.5 Co0.25 N O3 V -","- C48 H44 Co2 N8 O24 V8 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1659","0.0609","","","0.1207","0.1476","","","","","","0.843","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206611","21.96","0.005","5.8873","0.0013","10.731","0.003","90","","102.46","0.02","90","","1354.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 N2 O10 Zn -","- C26 H36 N2 O10 Zn -","- C52 H72 N4 O20 Zn2 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0691","0.041","","","0.0666","0.071","","","","","","0.924","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206612","21.574","0.003","5.9897","0.0003","14.1692","0.0018","90","","127.501","0.019","90","","1452.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Cu2 N2 O11 -","- C26 H36 Cu2 N2 O11 -","- C52 H72 Cu4 N4 O22 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0383","0.0309","","","0.0651","0.0667","","","","","","1.007","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206613","6.6534","0.0001","18.96","0.0003","22.5591","0.0003","90","","90","","90","","2845.8","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O8 Zn2 -","- C26 H30 N2 O8 Zn2 -","- C104 H120 N8 O32 Zn8 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","1.54178","CuKα","","0.0444","0.0363","","","0.0791","0.0833","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206614","21.5285","0.001","5.9677","0.0003","11.6873","0.0006","90","","98.289","0.005","90","","1485.85","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H19 Cu N O9 -","- C11 H18 Cu N O9 -","- C44 H72 Cu4 N4 O36 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0562","0.037","","","0.0512","0.0538","","","","","","0.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206615","8.324","0.0008","6.4377","0.0004","11.3504","0.0008","90","","101.988","0.009","90","","594.97","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0724","0.0475","","","0.0969","0.1018","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206616","17.0146","0.0001","17.0146","0.0001","17.0146","0.0001","90","","90","","90","","4925.67","0.05","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H46 Cd3 Cl N4 Na O23 -","- C33 H33 Cd3 Cl N3 Na O19 -","- C132 H132 Cd12 Cl4 N12 Na4 O76 -","4","0.333333","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0551","0.0365","","","0.0823","0.0847","","","","","","1.01","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206617","6.6641","0.0002","7.7528","0.0003","19.6619","0.0007","90","","109.75","0.003","90","","956.08","0.06","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 La2 N3 O13 -","- C18 H11 La2 N3 O13 -","- C36 H22 La4 N6 O26 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0386","0.0228","","","0.0304","0.0312","","","","","","0.883","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206618","6.5605","0.0007","7.6743","0.0008","19.351","0.002","90","","108.709","0.009","90","","922.79","0.17","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 N3 O13 Sm2 -","- C18 H11 N3 O13 Sm2 -","- C36 H22 N6 O26 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0605","0.0316","","","0.0498","0.0527","","","","","","0.98","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206619","6.6571","0.0006","7.6931","0.0007","19.61","0.002","90","","108.808","0.008","90","","950.68","0.16","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 La2 N3 O12 -","- C18 H9 La2 N3 O12 -","- C36 H18 La4 N6 O24 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0793","0.0675","","","0.2079","0.2238","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206620","6.5238","0.0002","7.6246","0.0002","19.2614","0.0007","90","","108.791","0.003","90","","907.02","0.05","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 N3 O12 Sm2 -","- C18 H9 N3 O12 Sm2 -","- C36 H18 N6 O24 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0313","0.0259","","","0.0604","0.0628","","","","","","1.068","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206621","14.132","0.005","10.507","0.003","15.816","0.005","90","","98.504","0.004","90","","2322.6","1.3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H19.02 Eu2 N2 O20.51 P2 -","- C10 H14 Eu2 N2 O20.511 P2 -","- C40 H56 Eu8 N8 O82.044 P8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0242","0.0204","","","0.0472","0.0488","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206622","14.069","0.003","10.443","0.002","15.714","0.003","90","","98.528","0.003","90","","2283.2","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18.92 N2 O20.46 P2 Tb2 -","- C10 H14 N2 O20.461 P2 Tb2 -","- C40 H56 N8 O81.844 P8 Tb8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0486","0.0505","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7206623","7.5366","0.0004","9.427","0.0004","8.9888","0.0004","90","","96.744","0.003","90","","634.21","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl2 Cu N6 -","- C8 H12 Cl2 Cu N6 -","- C16 H24 Cl4 Cu2 N12 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0707","","","","","","1.072","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206624","10.9001","0.0007","10.9001","0.0007","8.1598","0.0009","90","","90","","120","","839.6","0.12","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","1","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0787","0.0829","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206625","8.9652","0.0001","9.6841","0.0002","15.5712","0.0003","90","","90.783","0.001","90","","1351.76","0.04","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H24 Co N14 O2 S2 -","- C18 H24 Co N14 O2 S2 -","- C36 H48 Co2 N28 O4 S4 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0841","0.0659","","","0.1922","0.2118","","","","","","1.026","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206626","8.506","0.002","17.003","0.004","10.491","0.003","90","","90","","90","","1517.3","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 Ni O7 S -","- C8 H18 N6 Ni O7 S -","- C32 H72 N24 Ni4 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.068","0.0534","","","0.1296","0.1393","","","","","","1.071","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206627","7.7348","0.0005","17.2121","0.0012","8.7343","0.0006","90","","113.849","0.001","90","","1063.53","0.13","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br2 Cu N12 -","- C16 H24 Br2 Cu N12 -","- C32 H48 Br4 Cu2 N24 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.045","0.0296","","","0.0588","0.0634","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206628","18.787","0.002","18.787","0.002","25.17","0.004","90","","90","","120","","7693.6","1.7","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 N54 Ni3 O24 -","- C72 H108 Cl6 N54 Ni3 O24 -","- C216 H324 Cl18 N162 Ni9 O72 -","3","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0511","0.0433","","","0.1052","0.1101","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7206629","8.5182","0.0011","17.061","0.002","10.5318","0.0014","90","","90","","90","","1530.6","0.3","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 Co N6 O7 S -","- C8 H18 Co N6 O7 S -","- C32 H72 Co4 N24 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MOKα","","0.05","0.0359","","","0.0792","0.0855","","","","","","1.051","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7206630","13.1073","0.0009","17.5935","0.0013","25.4796","0.0019","90","","90","","90","","5875.7","0.7","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.988 -","- C128 H224 Cl16 Cu8 N96 O79.904 -","8","0.25","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0448","0.037","","","0.1059","0.1108","","","","","","1.111","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206631","8.4528","0.0017","8.9701","0.0018","15.53","0.003","90","","104.559","0.003","90","","1139.7","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu N3 O4 -","- C8 H12 Cu N3 O4 -","- C32 H48 Cu4 N12 O16 -","4","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0522","0.0368","","","0.0847","0.0904","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206632","8.9762","0.0007","11.3964","0.0008","12.7958","0.0014","107.173","0.001","103.271","0.002","104.545","0.001","1143.39","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Co N9 O5 -","- C20 H24 Co N9 O5 -","- C40 H48 Co2 N18 O10 -","2","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.049","0.0386","","","0.0927","0.0989","","","","","","1.038","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206633","10.3892","0.0004","10.6944","0.0004","20.3245","0.0009","90","","90","","90","","2258.18","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 Cu N3 S2 -","- C9 H9 Cu N3 S2 -","- C72 H72 Cu8 N24 S16 -","8","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0795","0.0316","","","0.0564","0.0611","","","","","","0.761","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206634","9.7369","0.0012","9.0907","0.0011","31.145","0.004","90","","91.659","0.001","90","","2755.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Ag2 Br2 N6 S3 -","- C21 H21 Ag2 Br2 N6 S3 -","- C84 H84 Ag8 Br8 N24 S12 -","4","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0441","0.0303","","","0.0652","0.0698","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206635","12.929","0.0012","10.5303","0.0009","10.7521","0.001","90","","95.796","0.002","90","","1456.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0523","0.0414","","","0.1186","0.1237","","","","","","1.079","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206636","9.1977","0.0001","8.2553","0.0001","23.7783","0.0004","90","","96.193","0.001","90","","1794.94","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim+2-aminoterephthalic acid","Trimethoprim+2-aminoterephthalic acid","","- C36 H43 N9 O10 -","- C36 H43 N9 O10 -","- C72 H86 N18 O20 -","2","0.5","","Delori, Amit; Jones, William","A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices","CrystEngComm","2011","13","21","6315","","10.1039/c1ce05534h","","","0.7107","MoKα","","0.0819","0.0561","","","0.1334","0.146","","","","","","1.064","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206637","17.835","0.004","12.421","0.003","19.029","0.004","90","","90","","90","","4215.5","1.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C37 H33 Ag5 N12 O14 -","- C37 H29 Ag5 N12 O14 -","- C148 H116 Ag20 N48 O56 -","4","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Tan, Jing-Bo; Pan, Mei; Fan, Jun; Zhang, Wei-Guang","An unprecedented supramolecular network with channels filled by 1D coordination polymer chains: Cocrystallization of Ag(i)-4,4′-bipyridine and Ag(i)-benzimidazole complexes","CrystEngComm","2011","13","21","6345","","10.1039/c1ce05535f","","","0.71073","MoKα","","0.1612","0.1085","","","0.3256","0.3678","","","","","","1.042","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206638","8.521","0.0017","5.2696","0.0011","7.724","0.0015","90","","90","","90","","346.83","0.12","296","2","296","2","360000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.0715","0.0535","","","0.1201","0.1278","","","","","","1.155","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206639","8.4","0.06","5.159","0.005","7.61","0.03","90","","90","","90","","330","3","296","2","296","2","520000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.4255","0.1889","","","0.3133","0.455","","","","","","1.144","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206640","8.345","0.008","5.15","0.007","7.558","0.01","90","","90","","90","","324.8","0.7","296","2","296","2","650000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.1395","0.0939","","","0.1492","0.1724","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206641","8.2","0.013","5.13","0.03","7.4","0.02","90","","90","","90","","311","2","296","2","296","2","1190000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.3808","0.1269","","","0.1922","0.2649","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206642","8.08","0.03","4.914","0.016","7.33","0.02","90","","90","","90","","291","1.6","296","2","296","2","2040000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.2368","0.1732","","","0.2397","0.2645","","","","","","1.198","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206643","3.881","0.004","7.532","0.008","31.35","0.03","90","","90.59","0.018","90","","916.4","1.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 O4 S4 -","- C22 H8 O4 S4 -","- C44 H16 O8 S8 -","2","0.5","","Otón, Francisco; Pfattner, Raphael; Pavlica, Egon; Olivier, Yoann; Bratina, Gvido; Cornil, Jérôme; Puigdollers, Joaquim; Alcubilla, Ramón; Fontrodona, Xavier; Mas-Torrent, Marta; Veciana, Jaume; Rovira, Concepció","Electronic and structural characterisation of a tetrathiafulvalene compound as a potential candidate for ambipolar transport properties","CrystEngComm","2011","13","22","6597","","10.1039/c1ce05559c","","","0.71073","MoKα","","0.2976","0.2174","","","0.4178","0.4364","","","","","","1.876","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206644","9.751","0.002","20.573","0.004","13.834","0.005","90","","114.75","0.02","90","","2520.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Mn N5 O5 -","- C26 H19 Mn N5 O5 -","- C104 H76 Mn4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1944","0.102","","","0.1546","0.1869","","","","","","1.027","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206645","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 Ni O5 -","- C26 H19 N5 Ni O5 -","- C104 H76 N20 Ni4 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1221","0.0833","","","0.1462","0.1626","","","","","","1.03","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206646","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O5 Zn -","- C26 H19 N5 O5 Zn -","- C104 H76 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0734","0.0562","","","0.1267","0.1369","","","","","","1.012","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206647","9.456","0.0019","20.106","0.004","12.865","0.003","90","","106.81","0.03","90","","2341.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Co N5 O5 -","- C26 H19 Co N5 O5 -","- C104 H76 Co4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0984","0.0652","","","0.1063","0.1166","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206648","9.138","0.0018","11.366","0.002","12.541","0.003","66.69","0.03","85.9","0.03","85.13","0.03","1190.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1423","0.1186","","","0.2743","0.2865","","","","","","1.014","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206649","9.85","0.002","11.721","0.002","12.217","0.002","103.76","0.03","102.53","0.03","94.49","0.03","1324.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Co N5 O6 -","- C28 H25 Co N5 O6 -","- C56 H50 Co2 N10 O12 -","2","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0633","0.0474","","","0.1017","0.1083","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206650","10.399","0.002","10.583","0.002","23.268","0.005","90","","101.25","0.03","90","","2511.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cu N5 O7 -","- C26 H19 Cu N5 O7 -","- C104 H76 Cu4 N20 O28 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1182","0.0832","","","0.154","0.1682","","","","","","1.01","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206651","9.687","0.0019","11.87","0.002","12.456","0.003","100.03","0.03","99.52","0.03","97.24","0.03","1373.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.148","0.0907","","","0.1937","0.228","","","","","","0.993","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206652","22.4693","0.0015","14.3685","0.0009","21.7069","0.0016","90","","109.168","0.001","90","","6619.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Cu6 N15 -","- C72 H51 Cu6 N15 -","- C288 H204 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0887","0.0473","","","0.093","0.1099","","","","","","1.006","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206653","22.7172","0.001","14.5191","0.0007","21.7987","0.001","90","","108.788","0.001","90","","6806.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Cu6 N15 -","- C75 H57 Cu6 N15 -","- C300 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0631","0.04","","","0.0996","0.1157","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206654","23.568","0.003","14.2616","0.0016","24.342","0.004","90","","118.922","0.002","90","","7161.3","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H63 Cu6 N15 -","- C78 H63 Cu6 N15 -","- C312 H252 Cu24 N60 -","4","1","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.1133","0.0604","","","0.1462","0.1886","","","","","","1.001","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206655","32.9876","0.0014","15.2044","0.0006","15.3966","0.0006","90","","90","","90","","7722.3","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C87 H61 Cu6 N15 O2 -","- C87 H57 Cu6 N15 -","- C348 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0885","0.0492","","","0.1225","0.139","","","","","","0.985","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206656","7.9753","0.0004","10.7633","0.0006","29.7359","0.0011","86.267","0.002","46.207","0.002","72.569","0.002","1720.05","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 N4 Ni O4 S2 -","- C41 H29 N4 Ni O4 S2 -","- C82 H58 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0634","0.0433","","","0.1246","0.1463","","","","","","1.028","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206657","7.8922","0.0001","10.708","0.0002","29.755","0.0007","91.061","0.001","46.772","0.002","74.875","0.001","1697.79","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Br N4 Ni O6 S2 -","- C37 H27 Br N4 Ni O6 S2 -","- C74 H54 Br2 N8 Ni2 O12 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.087","0.0507","","","0.1286","0.1488","","","","","","1.031","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206658","10.268","0.002","11.0835","0.0007","28.807","0.004","87.171","0.012","35.532","0.007","84.06","0.01","1891.6","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Br2 N4 Ni O4 S2 -","- C42 H30 Br2 N4 Ni O4 S2 -","- C84 H60 Br4 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0783","0.0437","","","0.1048","0.124","","","","","","1.033","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206659","9.0241","0.0018","11.139","0.002","29.368","0.005","73.49","0.02","32.633","0.009","62.65","0.03","1381.1","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N4 Ni O4 S2 -","- C30 H22 N4 Ni O4 S2 -","- C60 H44 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0656","0.0382","","","0.0918","0.1006","","","","","","1.001","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206660","5.068","0.0003","11.0147","0.0007","20.8655","0.0013","81.306","0.003","89.114","0.003","80.325","0.003","1134.95","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1338","0.138","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206661","8.3361","0.0007","10.7845","0.0009","12.6902","0.0016","104.841","0.005","104.913","0.006","105.793","0.004","993.4","0.18","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","1","1","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0533","0.0402","","","0.0906","0.1051","","","","","","1.032","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206662","9.3053","0.0004","10.177","0.0004","13.6897","0.0006","86.972","0.002","89.543","0.002","64.397","0.002","1167.33","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0534","0.0549","","","","","","1.049","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206663","19.2774","0.0008","20.9886","0.0007","43.284","0.0016","90","","90","","90","","17513","1.1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C18.5 H19.5 N2.5 O7.5 S Zn -","- C17 H12 N2 O5 S Zn -","- C544 H384 N64 O160 S32 Zn32 -","32","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0513","0.046","","","0.1401","0.1466","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206664","11.4284","0.0007","11.4284","0.0007","30.743","0.004","90","","90","","120","","3477.3","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H21 Co N3 O7 S -","- C20 H21 Co N3 O7 S -","- C120 H126 Co6 N18 O42 S6 -","6","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0535","0.0469","","","0.1218","0.1273","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206665","14.628","0.0016","11.6031","0.0011","22.004","0.003","90","","116.141","0.009","90","","3352.7","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N10 Ni4 O27 -","- C58 H36 N10 Ni4 O27 -","- C116 H72 N20 Ni8 O54 -","2","0.5","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","0.71073","MoKα","","0.1572","0.0573","","","0.0827","0.0978","","","","","","0.744","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206666","13.6038","0.0007","10.8508","0.0007","19.3004","0.0012","90","","95.047","0.004","90","","2837.9","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 N5 Ni2 O9 -","- C29 H18 N5 Ni2 O9 -","- C116 H72 N20 Ni8 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","","","","","","","","","","","","","","","","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206667","7.2482","0.001","7.5827","0.001","12.2794","0.0016","77.826","0.002","84.096","0.002","63.018","0.002","587.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anthranilic acid Pyrazinamide","2-Aminobenzoic acid Pyrazinecarboxamide","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C24 H24 N8 O6 -","2","1","","Abourahma, Heba; Cocuzza, Devon S.; Melendez, Jesus; Urban, Jennifer M.","Pyrazinamide cocrystals and the search for polymorphs","CrystEngComm","2011","13","21","6442","","10.1039/c1ce05598d","","","0.71073","MoKα","","0.0877","0.0471","","","0.1132","0.1338","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206668","10.9374","0.0002","10.9374","0.0002","21.0837","0.0008","90","","90","","120","","2184.27","0.1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Gd O7 -","- C12 H17 Gd O7 -","- C72 H102 Gd6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0197","0.0191","","","0.04","0.0404","","","","","","1.136","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206669","10.9106","0.0002","10.9106","0.0002","20.9713","0.0007","90","","90","","120","","2161.99","0.09","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 O7 Tb -","- C12 H17 O7 Tb -","- C72 H102 O42 Tb6 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0465","0.0469","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206670","10.9445","0.0001","10.9445","0.0001","21.1465","0.0005","90","","90","","120","","2193.62","0.06","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Eu O7 -","- C12 H19 Eu O7 -","- C72 H114 Eu6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0193","0.0185","","","0.0418","0.0424","","","","","","1.104","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206671","10.8956","0.0002","10.8956","0.0002","20.9289","0.0012","90","","90","","120","","2151.69","0.14","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Dy O7 -","- C12 H17 Dy O7 -","- C72 H102 Dy6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0244","0.0213","","","0.0372","0.0379","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206672","6.4294","0.0008","20.626","0.003","11.6196","0.0011","90","","90.708","0.004","90","","1540.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-((mu2-biphenyl-4,4'-dicarboxylate)-(bis(mu3-1,3,5- triaza-7-phosphaadamantane)) -disilver(i)-dihydrate)","catena-((μ2-biphenyl-4,4'-dicarboxylate)- (bis(μ3-1,3,5-triaza-7-phosphaadamantane)) -disilver(I)-dihydrate)","","- C13 H20 Ag N3 O4 P -","- C13 H20 Ag N3 O4 P -","- C52 H80 Ag4 N12 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71073","MoKα","","0.0891","0.0461","","","0.0752","0.0867","","","","","","0.97","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206673","11.7271","0.0002","11.7707","0.0002","18.2633","0.0004","90","","98.704","0.001","90","","2491.96","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","catena-((mu4-phenyl-1,2,4,5-tetracarboxylate) -bis(mu2-1,3,5- triaza-7-phosphaadamantane) -bis(mu3-1,3,5-triaza-7-phosphaadamantane) - tetrasilver(i)-octahydrate)","catena-((μ4-phenyl-1,2,4,5-tetracarboxylate) -bis(μ2-1,3,5-triaza-7-phosphaadamantane) -bis(μ3-1,3,5-triaza-7-phosphaadamantane) -tetrasilver(I)-octahydrate)","","- C34 H50 Ag4 N12 O8 P4 -","- C34 H50 Ag4 N12 O8 P4 -","- C68 H100 Ag8 N24 O16 P8 -","2","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71069","MoKα","","0.0457","0.0376","","","0.1035","0.1085","","","","","","0.999","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206674","8.1689","0.0006","8.3465","0.0006","9.7857","0.0008","113.114","0.007","98.197","0.007","99.316","0.006","589.73","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0469","0.0368","","","0.1036","0.1073","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206675","8.196","0.0006","8.3777","0.0007","9.7987","0.0008","113.233","0.007","97.935","0.006","99.632","0.006","593.88","0.09","265","2","265","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0495","0.0388","","","0.1077","0.1117","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206676","8.2133","0.0006","8.3969","0.0007","9.8069","0.0008","113.304","0.008","97.788","0.007","99.804","0.007","596.52","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.049","0.0382","","","0.1074","0.1114","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206677","8.457","0.005","8.555","0.004","9.024","0.005","73.9","0.03","81.76","0.04","65.32","0.02","569.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","1","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0371","0.0347","","","0.1081","0.1146","","","","","","1.232","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206678","14.691","0.006","7.384","0.005","20.279","0.009","90","","90","","90","","2200","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl2 Hg N2 O -","- C7 H12 Cl2 Hg N2 O -","- C56 H96 Cl16 Hg8 N16 O8 -","8","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0451","0.045","","","0.1167","0.1168","","","","","","1.196","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206679","7.9451","0.0016","8.6039","0.0017","8.71","0.0017","64.75","0.03","73.33","0.03","63.46","0.03","478.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","1","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.149","0.0672","","","0.1495","0.1877","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206680","5.0087","0.001","15.303","0.004","12.989","0.004","90","","107.44","0.03","90","","949.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C36 H40 N12 O12 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0823","0.0462","","","0.1142","0.1572","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206681","14.556","0.003","9.1625","0.0018","16.157","0.003","90","","116.29","0.03","90","","1932","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0911","0.0549","","","0.1586","0.1867","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206682","8.2787","0.0017","16.705","0.003","13.977","0.003","90","","98.07","0.03","90","","1913.8","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1954","0.0899","","","0.1716","0.2192","","","","","","1.039","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206683","5.635","0.0011","11.689","0.002","15.962","0.003","90","","97.04","0.03","90","","1043.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1729","0.0833","","","0.1671","0.2303","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206684","4.9429","0.001","15.579","0.003","13.581","0.003","90","","91.78","0.03","90","","1045.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0793","0.0496","","","0.1243","0.1675","","","","","","1.096","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206685","14.917","0.003","9.4759","0.0019","16.141","0.003","90","","111.52","0.03","90","","2122.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.128","0.0566","","","0.0988","0.1171","","","","","","1.002","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206686","5.0052","0.001","20.411","0.004","20.976","0.004","90","","94.02","0.03","90","","2137.7","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.2324","0.079","","","0.1207","0.1589","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206687","7.621","0.003","8.204","0.004","11.956","0.005","77.163","0.008","88.414","0.008","80.874","0.008","719.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H14 Cu2 N14 -","- C5 H14 Cu2 N14 -","- C10 H28 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0665","0.0577","","","0.1393","0.1452","","","","","","1.182","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206688","7.675","0.002","8.264","0.002","12.511","0.003","104.78","0.004","90.05","0.005","98.076","0.004","759.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu2 N14 -","- C6 H16 Cu2 N14 -","- C12 H32 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0704","0.0603","","","0.1592","0.167","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206689","8.022","0.0016","22.375","0.003","13.5792","0.0016","90","","121.182","0.007","90","","2085.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cu3 N22 -","- C6 H18 Cu3 N22 -","- C24 H72 Cu12 N88 -","4","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0653","0.0487","","","0.1142","0.1191","","","","","","1.091","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206690","10.7103","0.0009","11.2561","0.001","11.9413","0.0017","109.829","0.001","96.517","0.001","116.317","0.001","1152.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu2 Mo4 N9 O14 -","- C9 H12 Cu2 Mo4 N9 O14 -","- C18 H24 Cu4 Mo8 N18 O28 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0437","0.0335","","","0.0756","0.0809","","","","","","0.971","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206691","10.6009","0.001","12.2124","0.0012","13.7623","0.0014","72.12","0.001","68.478","0.001","87.325","0.001","1573","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cu Mo4 N12 O15 -","- C16 H24 Cu Mo4 N12 O15 -","- C32 H48 Cu2 Mo8 N24 O30 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.058","0.0377","","","0.0855","0.0942","","","","","","1.034","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206692","14.5811","0.0009","11.2874","0.0007","15.849","0.0009","90","","106.046","0.001","90","","2506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu Mo4 N6 O15 -","- C12 H12 Cu Mo4 N6 O15 -","- C48 H48 Cu4 Mo16 N24 O60 -","4","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0478","0.04","","","0.1057","0.1103","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206693","10.2447","0.0003","29.148","0.001","10.2114","0.0003","90","","106.636","0.002","90","","2921.62","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid (1/1)","","- C34 H28 Cl N3 O5 -","- C34 H28 Cl N3 O5 -","- C136 H112 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare; Williams, Adrian C.; Spillman, Mark J.; Shankland, Norman; Shankland, Kenneth","A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling","CrystEngComm","2011","13","21","6327","","10.1039/c1ce05650f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206694","5.3232","0.001","15.896","0.003","25.664","0.005","90","","90","","90","","2171.6","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 O6 -","- C20 H24 F6 O6 -","- C80 H96 F24 O24 -","4","1","","Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa","A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures","CrystEngComm","2011","13","21","6342","","10.1039/c1ce05663h","","","0.71075","MoKα","","","0.0334","","","","0.0814","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206695","10.0681","0.0003","10.0681","0.0003","23.396","0.001","90","","90","","90","","2371.57","0.14","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H16 Br2 Co O4 -","- C8 H16 Br2 Co O4 -","- C64 H128 Br16 Co8 O32 -","8","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0868","0.041","","","0.1179","0.1328","","","","","","1.029","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206696","5.8213","0.0015","6.9778","0.0018","10.275","0.003","99.636","0.003","101.641","0.003","112.746","0.002","362.81","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0298","0.0285","","","0.0602","0.0609","","","","","","1.134","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206697","23.4355","0.0004","25.8418","0.0006","11.7298","0.0002","90","","113.109","0.001","90","","6533.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C128 H384 Br32 Co16 O128 -","16","2","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.1052","0.0378","","","0.083","0.1012","","","","","","0.913","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206698","9.1728","0.0003","9.1728","0.0003","19.5503","0.0007","90","","90","","90","","1644.97","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C32 H96 Br8 Co4 O32 -","4","0.25","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0621","0.0433","","","0.1132","0.1239","","","","","","1.046","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206699","6.4597","0.0016","9.033","0.002","9.738","0.003","105.54","0.004","98.341","0.003","92.69","0.003","539.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0398","0.0355","","","0.0683","0.0705","","","","","","1.098","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206700","7.73","0.002","7.265","0.001","15.295","0.002","90","","115.818","0.008","90","","773.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0344","0.031","","","0.0749","0.0774","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206701","8.194","0.0006","9.498","0.0007","17.3407","0.001","90","","110.609","0.003","90","","1263.2","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.041","0.0372","","","0.0931","0.0964","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206702","8.149","0.004","8.793","0.003","12.745","0.003","92.07","0.002","95.979","0.003","92.462","0.002","906.7","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1189","0.1272","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206703","31.128","0.006","8.2169","0.0016","17.034","0.003","90","","90","","90","","4356.9","1.4","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0862","0.0481","","","0.1181","0.1365","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206704","9.288","0.004","10.108","0.005","11.775","0.006","90","","112.531","0.008","90","","1021.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H11 Ag N5 O3 -","- C6 H11 Ag N5 O3 -","- C24 H44 Ag4 N20 O12 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0419","0.0318","","","0.0836","0.0886","","","","","","1.134","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206705","6.915","0.003","12.114","0.005","12.735","0.005","106.082","0.006","91.756","0.007","100.229","0.007","1005.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0953","0.0744","","","0.158","0.1681","","","","","","1.168","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206706","7.127","0.003","11.788","0.005","12.716","0.005","62.542","0.007","74.618","0.007","75.193","0.009","902.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Ag2 N10 O4 -","- C13 H20 Ag2 N10 O4 -","- C26 H40 Ag4 N20 O8 -","2","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0491","0.0387","","","0.0897","0.094","","","","","","1.042","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206707","11.786","0.003","23.065","0.007","8.343","0.002","90","","123.095","0.004","90","","1900.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Ag N5 O2 -","- C7 H11 Ag N5 O2 -","- C56 H88 Ag8 N40 O16 -","8","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0379","0.0331","","","0.0844","0.0868","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206708","10.551","0.007","8.536","0.006","12.311","0.008","90","","115.375","0.003","90","","1001.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Ag N5 O2 -","- C8 H9 Ag N5 O2 -","- C32 H36 Ag4 N20 O8 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0551","0.0421","","","0.0989","0.1028","","","","","","0.99","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206709","4.9117","0.0011","5.1136","0.001","11.033","0.003","79.955","0.014","75.771","0.016","61.571","0.017","235.68","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","Silver (II) triflate","Silver (II) trifluoromethanesulfonate","","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","1","0.5","","Malinowski, Przemysław J.; Mazej, Zoran; Derzsi, Mariana; Jagličić, Zvonko; Szydłowska, Jadwiga; Gilewski, Tomasz; Grochala, Wojciech","Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]\ιnfty chains hosting antiferromagnetism","CrystEngComm","2011","13","22","6871","","10.1039/c1ce05712j","powder diffraction","","1.5418","CuKα","","0.0393","","","","","","","","2.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206710","25.614","0.005","10.367","0.002","14.328","0.003","90","","110.43","0.03","90","","3565.3","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Cl4 Cu N2 O4 -","- C34 H42 Cl4 Cu N2 O4 -","- C136 H168 Cl16 Cu4 N8 O16 -","4","0.5","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0282","0.0258","","","0.0754","0.0768","","","","","","1.135","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206711","10.471","0.002","14.032","0.003","27.239","0.005","90","","94.8","0.03","90","","3988.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H47 Cl4 Cu N2 O4 -","- C164 H188 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0395","0.0337","","","0.0807","0.084","","","","","","1.072","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206712","10.467","0.002","14.108","0.003","27.33","0.006","90","","95.29","0.03","90","","4018.6","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H46 Cl4 Cu N2 O4 -","- C164 H184 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0361","0.0325","","","0.081","0.0835","","","","","","0.961","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206713","15.823","0.003","17.165","0.003","18.838","0.004","64.88","0.03","72.07","0.03","63.17","0.03","4090.8","1.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C168 H197 Cl14 Cu2 N8 O21 -","2","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0716","0.057","","","0.1557","0.1633","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206714","16.936","0.003","13.756","0.002","15.609","0.002","90","","90","","90","","3636.5","1","298","2","298","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C78 H58 Ag2 F12 N8 O6 P2 -","- C78 H58 Ag2 F12 N8 O6 P2 -","- C156 H116 Ag4 F24 N16 O12 P4 -","2","0.25","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0961","0.0671","","","0.1617","0.1815","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206715","8.9896","0.0012","31.618","0.004","12.7659","0.0017","90","","105.991","0.002","90","","3488.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0544","0.0451","","","0.1166","0.1202","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206716","10.518","0.002","13.249","0.002","13.926","0.003","83.357","0.003","82.318","0.003","70.574","0.003","1808.5","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","1","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0625","0.045","","","0.088","0.0925","","","","","","0.944","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206717","7.8309","0.0013","13.545","0.002","17.271","0.003","73.472","0.002","89.038","0.002","80.625","0.003","1731.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C60 H40 Ag4 F24 N8 O6 Sb4 -","2","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0658","0.0473","","","0.1212","0.1312","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206718","7.8557","0.001","18.207","0.002","13.4719","0.0017","90","","103.544","0.002","90","","1873.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H11 Ag F3 N2 O5 S -","- C16 H11 Ag F3 N2 O5 S -","- C64 H44 Ag4 F12 N8 O20 S4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0533","0.0499","","","0.1528","0.1557","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206719","23.985","0.003","19.144","0.003","8.5795","0.0013","90","","90.577","0.003","90","","3939.2","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H31 Ag F6 N4 O4 Sb -","- C37 H31 Ag F6 N4 O4 Sb -","- C148 H124 Ag4 F24 N16 O16 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0747","0.0648","","","0.1691","0.1772","","","","","","1.055","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206720","24.406","0.004","18.749","0.003","8.3657","0.0012","90","","90.991","0.002","90","","3827.5","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag F6 N4 O3 P -","- C33 H23 Ag F6 N4 O3 P -","- C132 H92 Ag4 F24 N16 O12 P4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0744","0.0586","","","0.1538","0.1616","","","","","","1.071","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206721","24.97","0.019","18.714","0.014","8.194","0.006","90","","90.02","0.02","90","","3829","5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag Cl N4 O7 -","- C33 H23 Ag Cl N4 O7 -","- C132 H92 Ag4 Cl4 N16 O28 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0881","0.0566","","","0.1364","0.1485","","","","","","0.968","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206722","14.038","0.003","18.203","0.003","13.527","0.002","90","","97.894","0.003","90","","3423.8","1.1","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.1073","0.0923","","","0.2513","0.2609","","","","","","1.109","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206723","13.9206","0.0017","18.112","0.002","26.968","0.003","90","","100.037","0.002","90","","6695.4","1.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Ag F6 N4 O4 P -","- C34 H28 Ag F6 N4 O4 P -","- C272 H224 Ag8 F48 N32 O32 P8 -","8","2","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0632","0.0529","","","0.131","0.1394","","","","","","1.021","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206724","24.744","0.004","13.627","0.002","19.476","0.003","90","","102.663","0.003","90","","6407.3","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C244 H176 Ag8 Cl16 N32 O60 -","8","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0796","0.0567","","","0.1649","0.1852","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206725","23.317","0.005","18.586","0.004","9.209","0.0018","90","","106.36","0.03","90","","3829.3","1.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cesium triphenylcyanoborate","","- C39 H34 B2 Cs2 N2 O -","- C39 H34 B2 Cs2 N2 O -","- C156 H136 B8 Cs8 N8 O4 -","4","0.5","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0486","0.036","","","0.0895","0.0946","","","","","","1.061","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206726","27.406","0.006","15.76","0.003","15.649","0.003","90","","90","","90","","6759","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rubidium triphenylcyanoborate","","- C19 H15 B N Rb -","- C19 H15 B N Rb -","- C304 H240 B16 N16 Rb16 -","16","2","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.1975","0.0554","","","0.0961","0.1162","","","","","","0.861","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206727","17.1789","0.0016","17.1789","0.0016","11.4979","0.001","90","","90","","90","","3393.2","0.5","297","2","297","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","potassium triphenylcyanoborate","","- C19 H16 B K N O0.5 -","- C19 H16 B K N O0.5 -","- C152 H128 B8 K8 N8 O4 -","8","1","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0375","0.031","","","0.0733","0.0767","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206728","9.1733","0.001","10.6165","0.0011","24.064","0.003","90","","90.718","0.001","90","","2343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cd N5 O10 -","- C18 H23 Cd N5 O10 -","- C72 H92 Cd4 N20 O40 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0447","0.0421","","","0.1032","0.1048","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206729","10.5156","0.0015","9.3977","0.0013","23.034","0.003","90","","99.967","0.002","90","","2241.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H21 Cd N5 O9 -","- C18 H17 Cd N5 O9 -","- C72 H68 Cd4 N20 O36 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0414","0.037","","","0.128","0.135","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206730","10.6193","0.0003","15.0562","0.0004","16.2601","0.0004","108.694","0.004","95.323","0.003","109.312","0.004","2265.87","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 N12 O8 S4 -","- C41 H43 N12 O8 S4 -","- C82 H86 N24 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0722","0.0517","","","0.1257","0.1394","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206731","8.386","0.0007","17.295","0.0012","15.4566","0.0011","90","","98.935","0.003","90","","2214.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O4 S2 -","- C19 H22 N5 O4 S2 -","- C76 H88 N20 O16 S8 -","4","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1077","0.0713","","","0.1812","0.2117","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206732","9.0382","0.0002","9.5723","0.0002","12.537","0.0003","100.183","0.003","104.203","0.003","101.444","0.003","1001.16","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 O4 S2 -","- C17 H18 N5 O4 S2 -","- C34 H36 N10 O8 S4 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0735","0.0657","","","0.1788","0.1882","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206733","11.8193","0.0004","12.8098","0.0005","26.3527","0.001","91.574","0.002","95.655","0.002","100.64","0.003","3897.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N6 O4 S2 -","- C24 H26 N6 O4 S2 -","- C144 H156 N36 O24 S12 -","6","3","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1094","0.0802","","","0.2103","0.2389","","","","","","1.071","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206734","9.0972","0.0002","9.5762","0.0002","23.8891","0.0003","86.224","0.001","88.273","0.001","88.214","0.001","2074.79","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 O8 S4 -","- C36 H40 N10 O8 S4 -","- C72 H80 N20 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N–H⋯N–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0832","0.0604","","","0.1459","0.1628","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206735","8.308","0.0005","5.4673","0.0004","12.057","0.0013","90","","97.814","0.011","90","","542.57","0.08","295","2","295","2","","","100","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1776","0.1021","","","0.2432","0.287","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206736","8.1397","0.0014","5.2541","0.0009","11.853","0.004","90","","98.2","0.03","90","","501.7","0.2","295","2","295","2","","","600000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.203","0.1185","","","0.2773","0.3446","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206737","8.953","0.0018","3.865","0.0008","13.081","0.003","90","","90.47","0.03","90","","452.63","0.17","295","2","295","2","","","1000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1197","0.0745","","","0.1431","0.1658","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206738","9.047","0.0005","3.6626","0.0002","12.7481","0.0015","90","","92.304","0.01","90","","422.07","0.06","295","2","295","2","","","2000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1058","0.062","","","0.1389","0.1595","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206739","9.0625","0.0006","3.5605","0.0002","12.5539","0.0017","90","","92.541","0.011","90","","404.68","0.07","295","2","295","2","","","3500000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1081","0.0618","","","0.1343","0.1613","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206740","9.0721","0.0017","3.4383","0.0006","12.285","0.005","90","","92.72","0.03","90","","382.77","0.18","295","2","295","2","","","6200000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.0729","0.0494","","","0.1133","0.1258","","","","","","1.078","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206741","9.655","0.003","9.344","0.003","30.965","0.009","90","","93.859","0.005","90","","2787.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N3 O17 P4 Zn3 -","- C17 H15 N3 O17 P4 Zn3 -","- C68 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0613","0.0545","","","0.1376","0.1427","","","","","","1.089","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206742","9.646","0.003","9.41","0.003","30.929","0.01","90","","93.338","0.005","90","","2802.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H27 N3 O17 P4 Zn3 -","- C16.5 H15 N3 O17 P4 Zn3 -","- C66 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0854","0.0787","","","0.182","0.1864","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206743","18.863","0.008","5.722","0.003","21.51","0.009","90","","116.96","0.03","90","","2069.4","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTFPhU-THF","","","- C18.96 H15.92 N2 O2.74 S4 -","- C18.96 H15.92 N2 O2.74 S4 -","- C75.84 H63.68 N8 O10.96 S16 -","4","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKa","","0.1107","0.0691","","","0.203","0.2219","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206744","35.208","0.002","5.6195","0.0003","25.61","0.002","90","","126.721","0.002","90","","4061.5","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTFPhU-pyridine","TTFPhU-pyridine","","- C21 H15 N3 O2 S4 -","- C21 H15 N3 O2 S4 -","- C168 H120 N24 O16 S32 -","8","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKα","","0.1628","0.0688","","","0.1109","0.1335","","","","","","0.976","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206745","9.7727","0.0018","18.576","0.003","10.561","0.002","90","","98.148","0.003","90","","1897.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd N2 O11 -","- C15 H8 Cd N2 O11 -","- C60 H32 Cd4 N8 O44 -","4","1","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.0723","0.0447","","","0.1191","0.1314","","","","","","1.107","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206746","19.0321","0.0004","7.1489","0.0001","18.746","0.0004","90","","119.292","0.003","90","","2224.43","0.1","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H47 Cd3 N5 O25 -","- C34 H14 Cd3 N5 O25 -","- C68 H28 Cd6 N10 O50 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","1.54178","CuKα","","0.0304","0.0299","","","0.0867","0.0872","","","","","","1.158","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206747","30.3206","0.0018","7.247","0.0003","19.337","0.0009","90","","106.844","0.002","90","","4066.7","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H82 Mn6 N8 O51 -","- C60 H28 Mn6 N8 O51 -","- C120 H56 Mn12 N16 O102 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.08","0.0519","","","0.1312","0.1813","","","","","","1.076","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206748","5.707","0.003","8.886","0.005","9.503","0.005","71.733","0.005","79.378","0.009","84.199","0.009","449.3","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.1234","0.0849","","","0.2049","0.2317","","","","","","1.093","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206749","5.7108","0.0017","9.011","0.003","9.451","0.003","70.55","0.003","81.022","0.004","85.818","0.003","452.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0386","0.0333","","","0.0871","0.0908","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206750","5.441","0.004","8.892","0.006","9.554","0.007","74.542","0.008","82.346","0.008","76.224","0.008","431.5","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0348","0.0325","","","0.0941","0.0971","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206751","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H118 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1116","0.1045","","","0.2965","0.3034","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206752","38.903","0.005","38.903","0.005","16.736","0.003","90","","90","","120","","21936","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C169 H142 Cl3 I24 N32 O12 Zn12 -","- C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 -","- C507.24 H354.24 Cl9 I72 N95.76 O36 Zn36 -","3","0.166667","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1799","0.1571","","","0.3837","0.3959","","","","","","2.582","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206753","9.8708","0.0017","10.5239","0.0011","20.888","0.004","90","","101.277","0.013","90","","2127.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13.5 Cl I2 N4 O0.25 Zn -","- C20 H13 Cl I2 N4 O0.25 Zn -","- C80 H52 Cl4 I8 N16 O Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0382","0.0343","","","0.0844","0.0868","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206754","17.353","0.003","10.3148","0.0016","20.974","0.004","90","","90","","90","","3754.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Cl3 N4 Zn -","- C20 H13 Cl3 N4 Zn -","- C160 H104 Cl24 N32 Zn8 -","8","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0823","0.0828","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206755","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0885","0.0816","","","0.2271","0.2349","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206757","10.4133","0.0009","11.8185","0.0011","14.8969","0.0013","90","","90.08","","90","","1833.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O6 Zn -","- C19 H17 N3 O6 Zn -","- C76 H68 N12 O24 Zn4 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0644","0.0498","","","0.1008","0.1075","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206758","22.479","0.007","13.058","0.004","17.853","0.01","90","","119.695","0.004","90","","4552","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 N4 O15 Zn2 -","- C44 H40 N4 O15 Zn2 -","- C176 H160 N16 O60 Zn8 -","4","0.5","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0535","0.0419","","","0.1231","0.1354","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206759","8.9846","0.0002","9.2383","0.0002","13.4394","0.0003","82.95","0.001","83.474","0.001","84.599","0.001","1096.25","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N4 O8 Zn -","- C19 H20 N4 O8 Zn -","- C38 H40 N8 O16 Zn2 -","2","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0434","0.036","","","0.1031","0.1087","","","","","","1.023","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206760","11.572","0.004","17.273","0.007","15.536","0.006","90","","98.17","0.007","90","","3074","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd2 N4 O11 -","- C28 H26 Cd2 N4 O11 -","- C112 H104 Cd8 N16 O44 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.1315","0.0794","","","0.1969","0.2288","","","","","","1.038","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206761","10.64","0.02","21.61","0.05","7.347","0.016","90","","133.67","","90","","1222","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl2 Cu N8 -","- C8 H6 Cl2 Cu N8 -","- C32 H24 Cl8 Cu4 N32 -","4","0.5","","Li, Bing; Chen, Shun-Wei; Chen, Zheng; Chen, Jie; Guo, Jian-Zhong; Liu, Li","The self-assembly of single-walled metal‒organic nanotubes constructed from CuCl2 chains and ditetrazoles","CrystEngComm","2011","13","22","6610","","10.1039/c1ce05921a","","","0.71073","MoKα","","0.0912","0.0618","","","0.0905","0.1061","","","","","","0.896","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206762","22.687","0.003","14.2059","0.0016","32.493","0.004","90","","90","","90","","10472","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Ni2(oba)2(bpy)3(H2O)4)","","","- C58 H48 N6 Ni2 O14 -","- C58 H48 N6 Ni2 O14 -","- C464 H384 N48 Ni16 O112 -","8","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.2084","0.0965","","","0.1893","0.2425","","","","","","1.016","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206763","27.956","0.002","27.956","0.002","16.8396","0.0013","90","","90","","90","","13160.8","1.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(Co2(oba)2(bpy)3(H2O)2).bpy.H2O","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C544 H480 Co16 N64 O128 -","16","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.0965","0.0608","","","0.1538","0.1888","","","","","","1.055","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206764","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","CAGLIARI 165","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206765","26.67","0.005","8.4146","0.0017","13.05","0.003","90","","118.49","0.03","90","","2574","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2005slh0245/132","","- C20 H12 I5.5 N2 -","- C20 H12 I5.4 N2 -","- C80 H48 I21.6 N8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.0514","0.0469","","","0.1202","0.1233","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206766","12.94384","0.00017","12.94384","0.00017","12.94384","0.00017","90","","90","","90","","2168.65","0.05","4","","4","","","","100","","","","","4","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- La3 Li7 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li(7)La(3)Zr(2)O(12)"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.4249","","","","","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206767","9.2018","0.0004","17.8945","0.0008","16.4125","0.0007","90","","90.386","0.002","90","","2702.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N7 Ru -","- C29 H22 Cl3 N7 Ru -","- C116 H88 Cl12 N28 Ru4 -","4","1","","Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni","Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.","Physical chemistry chemical physics : PCCP","2011","13","43","19480","19484","10.1039/c1cp22814e","","","0.71073","MoKα","","0.0392","0.031","","","0.0864","0.0971","","","","","","1.184","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206768","14.081","0.0002","14.081","0.0002","27.303","0.0004","90","","90","","90","","5413.49","0.13","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H24 I N -","- C11 H24 I N -","- C176 H384 I16 N16 -","16","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Nockemann, Peter; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","Azepanium ionic liquids","Green Chemistry","2011","13","11","3137","","10.1039/c1gc15189d","","","0.71073","MoKα","","0.0518","0.0347","","","0.0947","0.1224","","","","","","1.144","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206769","9.7447","0.0015","10.72","0.002","21.453","0.004","90","","101.948","0.01","90","","2192.5","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 F6 N2 O4 S2 -","- C15 H28 F6 N2 O4 S2 -","- C60 H112 F24 N8 O16 S8 -","4","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Nockemann, Peter; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","Azepanium ionic liquids","Green Chemistry","2011","13","11","3137","","10.1039/c1gc15189d","","","0.71073","MoKα","","0.0851","0.0655","","","0.1558","0.1721","","","","","","1.028","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27",""
"7206770","7.236","0.002","9.233","0.002","12.061","0.003","85.83","0.04","82.48","0.04","73.52","0.04","765.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Choudhary, Garima; Peddinti, Rama Krishna","Introduction of a clean and promising protocol for the synthesis of β-amino-acrylates and 1,4-benzoheterocycles: an emerging innovation","Green Chemistry","2011","13","11","3290","","10.1039/c1gc15701a","","","0.71073","MoKα","","0.0701","0.0597","","","0.1436","0.1495","","","","","","1.154","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206771","7.9077","0.001","10.7341","0.0013","17.41","0.002","90","","93.758","0.001","90","","1474.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Fan, Xuesen; He, Yan; Cui, Liangyan; Zhang, Xinying; Wang, Jianji","Tandem reaction of 1,2-allenic ketone with α-halo ketone or α-halo ester in water: an efficient and sustainable synthesis of 1,3,4′-tricarbonyl compounds","Green Chemistry","2011","13","11","3218","","10.1039/c1gc15707h","","","0.71073","MoKα","","0.0471","0.0379","","","0.109","0.1189","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206772","10.5755","0.0004","22.6797","0.0009","8.8593","0.0004","90","","100.329","0.004","90","","2090.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 F N3 O2 -","- C27 H16 F N3 O2 -","- C108 H64 F4 N12 O8 -","4","1","","Michael Rajesh, Stephen; Bala, Balasubramanian Devi; Perumal, Subbu; Menéndez, J. Carlos","l-Proline-catalysed sequential four-component “on water” protocol for the synthesis of structurally complex heterocyclic ortho-quinones","Green Chemistry","2011","13","11","3248","","10.1039/c1gc15794a","","","0.71073","MoKα","","0.1464","0.0696","","","0.1789","0.2284","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206786","18.0736","0.0005","6.149","0.0002","23.5057","0.0006","90","","97.344","0.001","90","","2590.87","0.13","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br2 Cl6 N4 O4 -","- C16 H22 Br2 Cl6 N4 O4 -","- C64 H88 Br8 Cl24 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0728","0.0787","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206787","6.7065","0.0002","18.5969","0.0006","7.1006","0.0002","90","","99.5","0.002","90","","873.44","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C14 H20 Br2 N6 O4 -","- C14 H20 Br2 N6 O4 -","- C28 H40 Br4 N12 O8 -","2","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.03","0.0279","","","0.068","0.0689","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206788","16.8164","0.0007","16.8164","0.0007","14.3925","0.0009","90","","90","","90","","4070.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C22 H28 I4 N8 O8 -","- C22 H28 I4 N8 O8 -","- C88 H112 I16 N32 O32 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0676","0.0562","","","0.1228","0.1261","","","","","","1.197","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206789","30.8657","0.0008","6.1071","0.0001","8.2339","0.0002","90","","95.363","0.002","90","","1545.3","0.06","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 I2 N5 O4 -","- C11 H11 I2 N5 O4 -","- C44 H44 I8 N20 O16 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0207","0.0188","","","0.0437","0.0447","","","","","","1.159","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206790","9.9306","0.0007","18.8619","0.0013","15.0246","0.001","90","","97.401","0.001","90","","2790.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cd N5 O11 Zn -","- C25 H25 Cd N5 O11 Zn -","- C100 H100 Cd4 N20 O44 Zn4 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0419","0.0281","","","0.0622","0.0683","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206791","16.6799","0.0012","10.6208","0.0008","21.4547","0.0016","90","","92.312","0.001","90","","3797.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cd2 Cl2 N6 O8 -","- C34 H40 Cd2 Cl2 N6 O8 -","- C136 H160 Cd8 Cl8 N24 O32 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0641","0.0408","","","0.0858","0.0979","","","","","","1.031","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206792","22.708","0.005","10.553","0.002","19.758","0.004","90","","90","","90","","4734.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H32 Cu N4 O8 -","- C34 H32 Cu N4 O8 -","- C136 H128 Cu4 N16 O32 -","4","1","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.1426","0.0962","","","0.2501","0.2804","","","","","","0.919","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206793","10.0124","0.0006","14.1908","0.0009","21.6482","0.0016","90","","102.265","0.002","90","","3005.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H60 Cu4 N4 O24 -","- C47 H60 Cu4 N4 O24 -","- C94 H120 Cu8 N8 O48 -","2","0.5","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.066","0.0486","","","0.1254","0.1346","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206794","26.823","0.004","8.765","0.002","20.686","","90","0.003","115.94","0.02","90","","4373.4","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C104 H208 Cu8 F48 N48 O48 Si8 -","4","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0746","0.0402","","","0.0737","0.0828","","","","","","0.957","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206795","10.1448","0.0017","16.441","0.002","13.18","0.002","90","","109.542","0.002","90","","2071.7","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl2 Cu3 N12 O20 -","- C30 H36 Cl2 Cu3 N12 O20 -","- C60 H72 Cl4 Cu6 N24 O40 -","2","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0378","0.0289","","","0.0635","0.0672","","","","","","0.999","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206796","7.6833","0.0018","9.5255","0.0019","13.551","0.004","85.33","0.007","87.06","0.006","80.222","0.007","973.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl Cu N5 O11 -","- C12 H22 Cl Cu N5 O11 -","- C24 H44 Cl2 Cu2 N10 O22 -","2","1","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0335","0.0277","","","0.0693","0.0714","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206797","14.362","0.002","14.58","0.002","15.887","0.002","86.106","0.002","80.269","0.002","87.555","0.002","3269.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cd2 N10 O19 S2 -","- C64 H54.5 Cd2 N10 O19 S2 -","- C128 H109 Cd4 N20 O38 S4 -","2","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0695","0.0497","","","0.1387","0.1562","","","","","","1.028","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206798","24.122","0.003","12.739","0.0014","20.106","0.002","90","","108.832","0.001","90","","5847.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N5 O6 S Zn -","- C32 H21 N5 O6 S Zn -","- C256 H168 N40 O48 S8 Zn8 -","8","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0643","0.0405","","","0.1182","0.1337","","","","","","1","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206799","11.8037","0.0004","16.6966","0.0006","12.9072","0.0004","90","","106.726","0.001","90","","2436.15","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cd N4 O6 S -","- C24 H22 Cd N4 O6 S -","- C96 H88 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0471","0.0428","","","0.1558","0.1591","","","","","","1.318","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206800","11.5434","0.0008","16.3088","0.0012","12.8836","0.001","90","","106.192","0.004","90","","2329.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd N4 O6 S -","- C23 H20 Cd N4 O6 S -","- C92 H80 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.1797","0.1723","","","0.5961","0.6109","","","","","","1.079","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206801","9.0116","0.0007","9.408","0.0006","18.0095","0.0014","83.76","0.006","76.517","0.007","79.61","0.006","1456.89","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (+/-) 2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (+/-) 2-methyl-1-butanol","","- C30 H38 N2 O7 -","- C25 H26 N2 O6 -","- C50 H52 N4 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0884","0.0566","","","0.1785","0.1877","","","","","","0.986","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206802","8.9857","0.0002","9.4136","0.0002","17.9866","0.0004","83.674","0.002","76.62","0.002","79.597","0.002","1452.09","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol","","- C60 H76 N4 O14 -","- C50 H51.17 N4 O12 -","- C50 H51.17 N4 O12 -","1","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0727","0.0483","","","0.1363","0.1451","","","","","","0.903","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206803","11.4001","0.0011","17.4597","0.0016","11.6727","0.0009","90","","101.406","0.009","90","","2277.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine,","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine,","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.1122","0.0637","","","0.1799","0.1967","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206804","11.263","0.0006","16.4363","0.0008","17.4733","0.0009","90","","90","","90","","3234.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C160 H176 N8 O16 -","4","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.063","0.0457","","","0.1173","0.1281","","","","","","1.025","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206805","12.263","0.003","13.918","0.003","11.155","0.002","90","","115.55","0.03","90","","1717.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate polymorph","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0452","0.0369","","","0.0929","0.0999","","","","","","1.046","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206806","7.6923","0.0011","9.1752","0.0013","12.7495","0.0018","77.96","0.003","76.026","0.003","66.76","0.002","795.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylformamide clathrate","","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","1","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0499","0.0411","","","0.1068","0.1127","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206807","7.546","0.0012","26.221","0.004","9.1335","0.0013","90","","113.272","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylacetamide clathrate","","- C38 H40 N2 O4 -","- C37.99 H40 N1.99 O4 -","- C75.98 H80 N3.98 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0786","0.0539","","","0.1304","0.1446","","","","","","1.023","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206808","8.276","0.0017","8.992","0.0018","18.972","0.004","84.68","0.03","89.23","0.03","67.92","0.03","1302.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylformamide clathrate","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0694","0.0462","","","0.1059","0.1213","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206809","10.3078","0.0006","10.8225","0.0006","11.6724","0.0006","77.501","0.002","77.642","0.001","88.44","0.001","1241.56","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dihydrate","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0432","0.0376","","","0.0945","0.099","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206810","11.226","0.005","15.635","0.005","18.927","0.005","90.957","0.005","93.269","0.005","104.534","0.005","3209","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 N8 O40 Si W12 -","- C40 H40 N8 O40 Si W12 -","- C80 H80 N16 O80 Si2 W24 -","2","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal–organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71069","MoKα","","0.1208","0.0728","","","0.1769","0.2031","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206811","41.293","0.004","20.8098","0.0006","21.1399","0.0006","90","","116.333","0.002","90","","16280.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co N12 O40 W12 -","- C60 H52 Co N12 O40 W12 -","- C480 H416 Co8 N96 O320 W96 -","8","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71073","MoKα","","0.088","0.0546","","","0.1561","0.1758","","","","","","1.031","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206812","22.274","0.003","22.274","0.003","16.94","0.003","90","","90","","120","","7278.5","1.9","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H16 Ag2 N8 O7 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0212","0.0205","","","0.059","0.0594","","","","","","1.138","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206813","22.1713","0.0016","22.1713","0.0016","16.947","0.002","90","","90","","120","","7214.5","1.1","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H10 Ag2 N8 O4 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0304","0.0294","","","0.0788","0.0796","","","","","","1.084","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206814","39.005","0.006","17.221","0.003","16.817","0.003","90","","92.326","0.003","90","","11287","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cu3 N10 O22 -","- C50 H52 Cu3 N10 O22 -","- C400 H416 Cu24 N80 O176 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0808","0.0581","","","0.1488","0.1649","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206815","19.352","0.003","10.6369","0.0014","26.107","0.003","90","","102.614","0.003","90","","5244.3","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu N5 O9.5 -","- C22 H21 Cu N5 O9.5 -","- C176 H168 Cu8 N40 O76 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0875","0.0742","","","0.2073","0.2188","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206816","17.379","0.005","9.906","0.005","22.043","0.005","90","0.005","90","0.005","90","0.005","3795","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H8 In N0 O8 -","- C17 H8 In O8 -","- C68 H32 In4 O32 -","4","0.5","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0851","0.0695","","","0.1774","0.1812","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206817","26.6496","0.0005","11.4204","0.0002","17.5511","0.0003","90","","90","","90","","5341.66","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 Co2 N4 O8 -","- C37 H24 Co2 N4 O8 -","- C148 H96 Co8 N16 O32 -","4","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0508","0.0355","","","0.0713","0.0756","","","","","","1.002","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206818","14.687","0.005","18.524","0.005","16.622","0.005","90","0.005","90","0.005","90","0.005","4522","2","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C41 H28 N4 O8 Zn2 -","- C41 H28 N4 O8 Zn2 -","- C164 H112 N16 O32 Zn8 -","4","","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.049","0.0425","","","0.1106","0.1159","","","","","","1.04","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206819","19.8876","0.0004","19.8876","0.0004","19.1704","0.0006","90","","90","","120","","6566.4","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C69 H51 Co4 N7 O18 -","- C69 H51 Co4 N7 O18 -","- C207 H153 Co12 N21 O54 -","3","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.0883","0.0732","","","0.2113","0.2179","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206820","15.2175","0.0019","29.825","0.003","21.3743","0.0018","90","","120.124","0.006","90","","8390.8","1.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0589","0.0484","","","0.0913","0.0962","","","","","","1.111","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206821","15.211","0.003","29.834","0.006","21.305","0.008","90","","120.04","0.02","90","","8370","4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H284 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0792","0.056","","","0.1016","0.1132","","","","","","1.073","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206822","15.144","0.002","30.066","0.005","21.804","0.003","90","","120.455","0.007","90","","8558","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.1152","0.0729","","","0.1721","0.2019","","","","","","1.019","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206823","15.166","0.002","29.955","0.004","21.596","0.002","90","","120.309","0.007","90","","8470","1.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0775","0.0581","","","0.1143","0.1238","","","","","","1.104","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206824","15.2027","0.0019","29.845","0.004","21.4094","0.0018","90","","120.174","0.006","90","","8397.8","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0706","0.056","","","0.1195","0.1284","","","","","","1.102","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206825","13.036","0.003","34.721","0.006","23.393","0.005","90","","92.699","0.004","90","","10576","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H95 La2 N2 O17 S6 -","- C86 H72 La2 N2 O17 S6 -","- C344 H288 La8 N8 O68 S24 -","4","1","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.1127","0.0591","","","0.138","0.1567","","","","","","0.918","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206826","9.8233","0.0005","13.2039","0.0007","15.9391","0.0008","113.863","0.001","96.308","0.001","92.677","0.001","1869.74","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0438","0.0323","","","0.0761","0.083","","","","","","0.941","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206827","12.668","0.002","14.585","0.003","17.323","0.003","113.754","0.002","109.044","0.002","90.263","0.002","2734.7","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 La2 N6 O22 S6 -","- C93 H111 La2 N5 O20 S6 -","- C93 H111 La2 N5 O20 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0446","0.0379","","","0.1101","0.1152","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206828","5.4867","0.0002","42.1629","0.0016","9.0036","0.0003","90","","90.131","0.004","90","","2082.84","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0682","0.0648","","","0.1597","0.1614","","","","","","1.109","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206829","5.22808","0.00005","9.49693","0.00009","16.70757","0.00016","90","","95.6549","0.0009","90","","825.506","0.014","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N4 O2 -","- C16 H26 N4 O2 -","- C32 H52 N8 O4 -","2","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0286","0.0271","","","0.0705","0.0717","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206830","13.9923","0.0002","14.3096","0.0002","32.6979","0.0005","90","","90","","90","","6546.91","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37.5 N4 O10.75 S Zn -","- C24 H20 N4 O10.25 S Zn -","- C192 H160 N32 O82 S8 Zn8 -","8","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","0.71073","MoKα","","0.079","0.0636","","","0.1622","0.168","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206831","13.37139","0.00006","13.37139","0.00006","41.4227","0.0002","90","","90","","120","","6413.9","0.05","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H46 Br2 N6 O5.5 Zn -","- C37 H41.5 Br2 N6 O5.5 Zn -","- C222 H249 Br12 N36 O33 Zn6 -","6","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0253","0.0249","","","0.077","0.0772","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206832","11.63262","0.00009","11.63262","0.00009","39.8175","0.0003","90","","90","","120","","4666.16","0.06","173","2","173","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H42.17 N6 O8.58 S Zn -","- C24 H39 N6 O8.58 S Zn -","- C144 H234 N36 O51.48 S6 Zn6 -","6","0.333333","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0324","0.0324","","","0.0928","0.0928","","","","","","1.038","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206833","39.03","0.002","11.8817","0.0002","27.633","0.0013","90","","123.78","0.007","90","","10651.2","1.2","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H154 Br6 N16 O21 Zn3 -","- C64 H80 Br6 N16 O8 Zn3 -","- C256 H320 Br24 N64 O32 Zn12 -","4","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0441","0.0388","","","0.1085","0.1254","","","","","","1.106","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206834","10.1765","0.0001","16.0472","0.0002","20.1566","0.0002","90","","95.619","0.001","90","","3275.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N7 O5 Zn -","- C35 H25 N7 O5 Zn -","- C140 H100 N28 O20 Zn4 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","1.54184","CuKα","","0.0634","0.0472","","","0.1346","0.1505","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206835","21.4447","0.001","16.3875","0.0006","10.392","0.0005","90","","90","","90","","3652","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H28 N7 O9 S0 Zn2 -","- C36 H24 N7 O9 Zn2 -","- C144 H96 N28 O36 Zn8 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1046","0.0497","","","0.1022","0.1156","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206836","17.797","0.0004","7.73","0.0002","26.675","0.0006","90","","93.466","0.002","90","","3662.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H53 N14 O23 Zn4 -","- C74 H46 N14 O23 Zn4 -","- C148 H92 N28 O46 Zn8 -","2","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.0648","0.038","","","0.0765","0.0808","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206837","11.3128","0.0008","29.2377","0.0018","10.1543","0.0005","90","","109.132","0.006","90","","3173.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Mn N7 O5 -","- C35 H27 Mn N7 O5 -","- C140 H108 Mn4 N28 O20 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1287","0.0418","","","0.0403","0.0468","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206838","13.889","0.0013","15.758","0.001","21.96","0.0012","91.108","0.005","107.134","0.006","115.87","0.007","4071.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H140 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.1324","0.0642","","","0.151","0.1693","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206839","10.644","0.0005","10.723","0.0005","16.145","0.0009","92.596","0.004","103.076","0.004","96.167","0.004","1779.94","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H42 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.15","0.0663","","","0.1415","0.1603","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206840","7.275","0.0008","7.5246","0.0006","13.636","0.0013","100.54","0.001","99.328","0.001","108.548","0.002","676.03","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0628","0.0395","","","0.0965","0.1143","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206841","7.3001","0.001","9.2759","0.0012","11.6302","0.0015","83.155","0.001","87.769","0.002","88.654","0.002","781.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cd Cl2 N5 O3 -","- C12 H11 Cd Cl2 N5 O3 -","- C24 H22 Cd2 Cl4 N10 O6 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0349","0.0265","","","0.0579","0.0641","","","","","","1.064","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206842","11.9014","0.0012","11.9685","0.0013","15.4255","0.0016","90.413","0.001","93.298","0.001","108.853","0.002","2075.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Hg N6 O4 -","- C15 H18 Cl2 Hg N6 O4 -","- C60 H72 Cl8 Hg4 N24 O16 -","4","2","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1549","0.0945","","","0.236","0.273","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206843","7.5944","0.0008","12.6407","0.0013","16.4624","0.0016","90","","93.97","0.001","90","","1576.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N5 O3 Zn -","- C12 H11 Cl2 N5 O3 Zn -","- C48 H44 Cl8 N20 O12 Zn4 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0633","0.0368","","","0.0767","0.085","","","","","","0.944","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206844","11.8049","0.0012","10.08","0.001","13.9721","0.0015","90","","105.108","0.001","90","","1605.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 K N6 O6 -","- C12 H11 K N6 O6 -","- C48 H44 K4 N24 O24 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1382","0.0629","","","0.1482","0.2036","","","","","","1.029","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206845","11.4997","0.0003","11.122","0.0004","22.5876","0.0006","90","","91.285","0.002","90","","2888.22","0.15","193","2","193","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1025","0.0505","","","0.1167","0.1377","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206846","22.9274","0.0008","21.1264","0.0008","23.173","0.0009","90","","90.436","0.002","90","","11224.1","0.7","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C544 H416 N64 Ni16 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.2078","0.0562","","","0.0949","0.123","","","","","","0.745","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206847","11.532","0.0013","11.0426","0.001","22.891","0.003","90","","90.073","0.004","90","","2915","0.6","193","2","193","2","","","","","","","synthesis as described","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O4 Zn -","- C34 H26 N4 O4 Zn -","- C136 H104 N16 O16 Zn4 -","4","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1044","0.0486","","","0.0962","0.1161","","","","","","1.006","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206848","23.0164","0.0006","20.789","0.0006","23.3891","0.0007","90","","90.592","0.002","90","","11190.8","0.5","180","2","180","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cu N4 O4 -","- C34 H26 Cu N4 O4 -","- C544 H416 Cu16 N64 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.123","0.0481","","","0.108","0.125","","","","","","0.878","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206849","5.6828","0.0003","7.6675","0.0004","16.4091","0.0009","96.408","0.004","95.194","0.004","95.251","0.004","703.87","0.07","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.114","0.0652","","","0.1495","0.1763","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206850","10.4417","0.0003","7.8434","0.0003","12.2703","0.0004","90","","111.164","0.001","90","","937.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O6 U -","- C7 H4 N O6 U -","- C28 H16 N4 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0278","0.0213","","","0.0512","0.054","","","","","","1.044","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206851","8.4634","0.0003","13.0284","0.0005","11.8917","0.0006","90","","96.821","0.001","90","","1301.95","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O6 U -","- C12 H8 N2 O6 U -","- C48 H32 N8 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0433","0.0341","","","0.0721","0.0754","","","","","","1.088","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206852","6.289","0.0017","7.949","0.002","8.347","0.002","79.554","0.004","87.819","0.004","79.199","0.004","403.09","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N O5 U -","- C6 H4 N O5 U -","- C12 H8 N2 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0307","0.0276","","","0.0596","0.0603","","","","","","1.152","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206853","9.1584","0.0009","9.666","0.0009","11.1105","0.0011","90","","103.353","0.002","90","","956.97","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N2 O7 U -","- C6 H5 N2 O7 U -","- C24 H20 N8 O28 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0229","0.0207","","","0.0482","0.049","","","","","","1.076","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206854","13.5463","0.0015","6.6022","0.0007","8.3418","0.0009","90","","90","","90","","746.05","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H3 N2 O5 U -","- C5 H3 N2 O5 U -","- C20 H12 N8 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0176","0.0142","","","0.028","0.0289","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206855","6.2323","0.0012","6.779","0.0013","10.594","0.002","104.12","0.003","93.875","0.003","91.976","0.003","432.47","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 U -","- C5 H3 N2 O6 U -","- C10 H6 N4 O12 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0457","0.0367","","","0.0861","0.0896","","","","","","1.035","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206856","7.1576","0.0005","29.301","0.003","7.6537","0.0007","90","","91.699","0.004","90","","1604.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-hydroxynaphthalene-8-carbaldehyde cpd 15","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.106","0.095","","","0.2343","0.2426","","","","","","1.168","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206857","14.0278","0.0003","7.9798","0.0002","15.6964","0.0004","90","","96.197","0.002","90","","1746.77","0.07","120","2","120","2","","","","","","","","3","P 1 a 1","P -2ya","7","","1,4-Di(methoxy)triptycene-9,10-dicarbaldehyde cpd 20","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.104","0.0616","","","0.1128","0.1326","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206858","9.0118","0.0003","9.6549","0.0004","11.6967","0.0005","80.718","0.003","87.782","0.003","65.542","0.002","913.81","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde acetonitrile solvate cpd 10.CH3CN","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.0845","0.0554","","","0.1316","0.1468","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206859","9.3754","0.0007","9.6285","0.0007","11.447","0.0009","69.585","0.004","69.8","0.004","77.586","0.004","903.6","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde ethyl acetate solvate cpd 19.0.75ethyl acetate","","- C25 H20 O5.5 -","- C22 H14 O4 -","- C44 H28 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.1319","0.0697","","","0.184","0.2062","","","","","","0.961","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206860","21.837","0.002","9.2974","0.001","19.231","0.002","90","","100.008","0.003","90","","3845","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Bis(1',3'-dioxolan-2'-yl)-1,4,4a,9a-tetrahydroanthracen-1,4-dione cpd 22","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.058","0.0426","","","0.1058","0.1149","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206861","8.875","0.005","11.139","0.005","14.195","0.005","104.562","0.005","91.046","0.005","106.311","0.005","1297.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","1","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71069","MoKα","","0.0572","0.0395","","","0.0713","0.078","","","","","","1.012","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206862","11.7854","0.0006","15.6884","0.0008","19.6861","0.0011","90","","96.816","0.005","90","","3614.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co Mo4 N10 O14 -","- C25 H35 Co Mo4 N10 O14 -","- C100 H140 Co4 Mo16 N40 O56 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71073","MoKα","","0.0828","0.0493","","","0.0895","0.1087","","","","","","1.067","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206863","12.891","0.004","13.631","0.004","19.268","0.006","90","","102.985","0.004","90","","3299.1","1.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cu2 N10 O48 Si W12 -","- C36 H26 Cu2 N10 O48 Si W12 -","- C72 H52 Cu4 N20 O96 Si2 W24 -","2","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.0968","0.0439","","","0.0558","0.0627","","","","","","0.787","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206864","11.861","0.004","13.626","0.004","17.618","0.006","106.194","0.005","97.216","0.005","91.492","0.005","2707.2","1.5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1578","0.0612","","","0.1248","0.1432","","","","","","0.768","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206865","12.129","0.004","13.776","0.005","14.004","0.005","118.696","0.004","96.783","0.004","104.497","0.004","1907.3","1.2","293","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1132","0.103","","","0.2442","0.2477","","","","","","1.328","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206866","17.837","0.005","17.837","0.005","81.03","0.05","90","","90","","120","","22326","16","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 N18 O44 Zn8 -","- C144 H126 N18 O44 Zn8 -","- C864 H756 N108 O264 Zn48 -","6","0.166667","","Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo","An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology","CrystEngComm","2011","13","23","6926","","10.1039/c1ce06038d","","","0.71073","MoKα","","0.1608","0.1257","","","0.2593","0.2772","","","","","","1.189","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206867","5.0838","0.0004","17.9622","0.0015","10.4409","0.0007","90","","98.445","0.003","90","","943.09","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chloro-aspirin (form II)","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0388","0.0311","","","0.0817","0.0862","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206868","5.094","0.0002","17.8642","0.0007","10.6736","0.0004","90","","98.935","0.002","90","","959.51","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-bromo-aspirin (form II)","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0242","0.0203","","","0.0498","0.0516","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206869","10.5412","0.0007","12.453","0.0008","13.5129","0.001","90","","90","","90","","1773.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Cl-aspirin anhydride (form I)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0398","0.0299","","","0.0611","0.0647","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206870","10.7838","0.0003","14.2206","0.0004","12.3774","0.0004","90","","107.635","0.003","90","","1808.9","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cl-aspirin anhydride (form II)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0564","0.0396","","","0.0899","0.1019","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206871","10.5579","0.0005","12.5176","0.0007","13.7487","0.0008","90","","90","","90","","1817.02","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Br-aspirin anhydride (form I)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0206","0.0181","","","0.0387","0.0391","","","","","","0.985","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206872","16.9944","0.0007","7.9432","0.0004","14.033","0.0007","90","","105.825","0.002","90","","1822.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Br-aspirin anhydride (form II)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0346","0.0228","","","0.0466","0.0495","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206873","9.9176","0.0009","9.9757","0.001","11.5419","0.0017","95.485","0.007","109.352","0.007","117.882","0.004","908.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-Me-aspirin anhydride (form I)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C40 H36 O14 -","2","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.093","0.0454","","","0.095","0.1132","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206874","20.749","0.002","8.3818","0.0008","10.6736","0.001","90","","97.44","0.005","90","","1840.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Me-aspirin anhydride (form II)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0855","0.0401","","","0.0766","0.0855","","","","","","0.904","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206875","8.096","0.0002","9.838","0.0002","15.262","0.0005","90","","103.069","0.0009","90","","1184.11","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions – homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.0634","0.0473","","","0.1244","0.1346","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206876","10.198","0.0008","8.731","0.0012","17.664","0.002","90","","90","","90","","1572.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions – homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.1859","0.0773","","","0.1358","0.1672","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206877","4.8314","0.0002","15.4009","0.0006","15.6421","0.0005","90","","90","","90","","1163.9","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Stöger, Berthold; Hametner, Christian; Kubel, Frank; Reider, Georg; Hagemann, Hans; Karpfen, Alfred; Fröhlich, Johannes","Modified ene–yne compounds: a novel functional material with nonlinear optical properties","CrystEngComm","2011","13","24","7194","","10.1039/c1ce06093g","","","0.71073","MoKα","","0.0429","0.0295","","","0.0293","0.0301","","","","1.43","1.43","1.25","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206878","6.316","0.002","6.316","0.002","16.446","0.006","90","","90","","90","","656.1","0.4","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- B H3 O10 P2 Ti -","- B H3 O10 P2 Ti -","- B4 H12 O40 P8 Ti4 -","4","0.125","","Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng","Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure","CrystEngComm","2011","13","24","7185","","10.1039/c1ce06233f","","","0.71073","MoKα","","0.0776","0.0694","","","0.1906","0.1955","","","","","","1.176","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206879","11.0819","0.0006","7.9976","0.0004","9.985","0.0005","90","","94.048","0.001","90","","882.75","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C36 H36 N12 O6 -","6","3","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0385","0.0352","","","0.0918","0.094","","","","","","1.168","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206880","5.1923","0.0011","9.466","0.003","12.259","0.003","90","","91.217","0.007","90","","602.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0548","0.0373","","","0.092","0.1005","","","","","","1.353","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206881","8.343","0.002","12.798","0.003","13.793","0.004","91.36","0.004","90.644","0.004","93.478","0.004","1469.5","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","TMA-(CF3SO2)2N","","","- C6 H12 F6 N2 O4 S2 -","- C6 H12 F6 N2 O4 S2 -","- C24 H48 F24 N8 O16 S8 -","4","2","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.1528","0.0803","","","0.2088","0.2577","","","","","","1.02","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206882","10.1328","0.0008","17.3243","0.0014","10.287","0.0008","90","","105.36","0.001","90","","1741.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TMA-(C2F5SO2)2N","","","- C8 H12 F10 N2 O4 S2 -","- C8 H12 F10 N2 O4 S2 -","- C32 H48 F40 N8 O16 S8 -","4","1","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0771","0.0556","","","0.1475","0.1658","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206883","5.8107","0.0005","11.1323","0.001","8.4816","0.0007","90","","90.683","0.001","90","","548.61","0.08","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 F2 N2 O4 S2 -","- C4 H12 F2 N2 O4 S2 -","- C8 H24 F4 N4 O8 S4 -","2","0.5","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0558","0.0443","","","0.1162","0.1247","","","","","","1.061","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206884","8.8848","0.0006","10.8203","0.0007","11.8758","0.0007","90","","90","","90","","1141.69","0.13","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H21 I N2 -","- C8 H21 I N2 -","- C32 H84 I4 N8 -","4","0.25","","Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman","Vibrations of a chelated proton in a protonated tertiary diamine.","Physical chemistry chemical physics : PCCP","2011","13","45","20380","20392","10.1039/c1cp22065a","","","0.71073","MoKα","","0.023","0.02","","","0.0437","0.0446","","","","","","1.091","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206893","30.7287","0.0012","30.7287","0.0012","23.757","0.0012","90","","90","","120","","19427.2","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C240 H264 Br24 O24 S24 -","- C240 H264 Br24 O24 S24 -","- C720 H792 Br72 O72 S72 -","3","0.0833333","","Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi","Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue","CrystEngComm","2011","13","23","6920","","10.1039/c1ce05813d","","","0.71075","MoKα","","0.0501","0.0377","","","0.0811","0.0862","","","","","","1.071","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7210453","25.9317","0.0014","9.034","0.0005","19.4396","0.001","90","","100.535","0.002","90","","4477.3","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F3 N3 Na O7 S -","- C17 H23 F3 N3 Na O7 S -","- C136 H184 F24 N24 Na8 O56 S8 -","8","2","","Remenar, Julius F.; Tawa, Mark D.; Peterson, Matthew L.; Almarsson, Örn; Hickey, Magali B.; Foxman, Bruce M.","Celecoxib sodium salt: engineering crystal forms for performance","CrystEngComm","2011","13","4","1081","1089","10.1039/c0ce00475h","","","0.71073","MoKα","","0.0623","0.0431","","0.1163","0.1065","0.1163","","","","","","0.984","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7210454","5.5","","5.128","","21.95","","90","","97.37","","90","","613.963","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim","Modeling the morphology of benzoic acid crystals grown from aqueous solution","CrystEngComm","2011","13","4","1159","1169","10.1039/c0ce00540a","","","","","","","","","","","","","","","","","","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210455","4.0813","0.0002","10.7319","0.0007","22.59","0.0011","90","","90","","90","","989.44","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NmoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0848","0.0486","","","0.1074","0.1248","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210456","4.803","0.0004","19.1318","0.0018","10.8759","0.0008","90","","99.276","0.005","90","","986.32","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NooF","","","- C12 H8.97 Cl0.03 F N2 O -","- C12 H8.968 Cl0.032 F N2 O -","- C48 H35.872 Cl0.128 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MolybdenumKα","","0.1325","0.0568","","","0.1227","0.1535","","","","","","0.995","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210457","5.426","0.0002","7.4928","0.0003","24.0074","0.0009","80.9694","0.0018","90.041","0.002","90.243","0.002","963.94","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","NppF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.051","","","0.1233","0.142","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210458","11.0723","0.0007","12.8655","0.0008","7.9596","0.0003","90","","114.444","0.004","90","","1032.22","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0553","0.0418","","","0.1021","0.1133","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210459","10.9275","0.0005","12.8165","0.0004","8.2422","0.0004","90","","117.13","0.002","90","","1027.33","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0616","0.0506","","","0.1237","0.1353","","","","","","1.062","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210460","9.7585","0.0003","9.7644","0.0002","21.17","0.0006","96.1397","0.0017","95.7365","0.0014","89.9958","0.0018","1995.47","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","NmpF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","4","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.0504","","","0.1105","0.1242","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210461","8.8514","0.0006","12.1628","0.001","9.6489","0.0005","90","","105.823","0.004","90","","999.42","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NmmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0746","0.0444","","","0.1023","0.1181","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210462","8.0622","0.0009","6.0665","0.0004","20.392","0.002","90","","95.296","0.004","90","","993.1","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NopF","","","- C12 H8.96 Cl0.04 F N2 O -","- C12 H8.958 Cl0.042 F N2 O -","- C48 H35.832 Cl0.168 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.142","0.0634","","","0.1333","0.1656","","","","","","1.029","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210463","5.7289","0.0002","23.2077","0.0013","15.1001","0.0009","90","","95.26","0.003","90","","1999.17","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NomF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.19","0.0742","","","0.162","0.223","","","","","","1.067","","","","has coordinates,has disorder","301864","2025-08-22","15:14:27",""
"7210464","9.122","0.005","9.56","0.005","14.181","0.005","102.828","0.005","102.183","0.005","107.82","0.005","1094.9","0.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo(3,4-d) pyrimidin-1- yl)-2-methylenyl propane","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo[3,4-d] pyrimidin-1-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71069","MoKα","","0.0397","0.0369","","","0.099","0.1017","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210465","16.357","0.003","10.062","0.002","13.506","0.003","90","","90","","90","","2222.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C72 H80 N32 S16 -","4","0.5","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0426","0.0371","","","0.1023","0.1066","","","","","","1.065","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210466","9.3786","0.0017","23.547","0.004","18.543","0.003","90","","90.617","0.003","90","","4094.8","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","","- C28 H22 N2 -","- C28 H22 N2 -","- C224 H176 N16 -","8","4","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0954","0.0627","","","0.1473","0.2046","","","","","","1.117","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210467","10.1518","0.001","8.7585","0.0009","24.492","0.003","90","","101.961","","90","","2130.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo (3,4- d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 S2 -","- C23 H21 N5 S2 -","- C92 H84 N20 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0639","0.0434","","","0.1127","0.1224","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210468","8.5125","0.0005","10.6289","0.0007","11.9705","0.0008","70.965","0.003","81.944","0.003","86.356","0.003","1013.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H- pyrazolo (3,4-d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 O S -","- C23 H21 N5 O S -","- C46 H42 N10 O2 S2 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0566","0.0437","","","0.1174","0.127","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210469","11.3","0.006","19.44","0.011","21.466","0.013","90","","90","","90","","4715","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H42 Ca5 N12 O32 -","- C30 H42 Ca5 N12 O32 -","- C120 H168 Ca20 N48 O128 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0982","0.0786","","","0.2105","0.2263","","","","","","1.099","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210470","9.993","0.005","20.997","0.01","22.177","0.011","90","","90","","90","","4653","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cd3 N6 O16 -","- C15 H12 Cd3 N6 O16 -","- C120 H96 Cd24 N48 O128 -","8","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0791","0.0623","","","0.1474","0.1685","","","","","","1.109","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210471","10.005","0.005","10.433","0.005","14.519","0.007","94.798","0.004","109.001","0.007","99.623","0.007","1397.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","1","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0651","0.051","","","0.1531","0.1688","","","","","","1.091","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210472","20.063","0.008","12.64","0.005","21.168","0.008","90","","90.742","0.007","90","","5368","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H59 Cu4 N12 Na O40 -","- C30 H24 Cu4 N12 Na O40 -","- C120 H96 Cu16 N48 Na4 O160 -","4","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.1173","0.1","","","0.2311","0.2497","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210473","8.4701","0.0017","8.969","0.0018","9.4258","0.0019","95.7","0.03","115.11","0.03","95.39","0.03","637.8","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Ce N O12 -","- C9 H10 Ce N O12 -","- C18 H20 Ce2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.028","0.0243","","","0.0536","0.0546","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210474","6.759","0.0014","13.978","0.003","15.517","0.004","90","","113.3","0.03","90","","1346.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O12 Sm -","- C9 H9 K N O12 Sm -","- C36 H36 K4 N4 O48 Sm4 -","4","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0688","0.0587","","","0.1377","0.1428","","","","","","1.13","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210475","8.4864","0.0017","8.9615","0.0018","9.4369","0.0019","95.53","0.03","115.45","0.03","95.45","0.03","637.6","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Pr -","- C9 H10 N O12 Pr -","- C18 H20 N2 O24 Pr2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0309","0.0275","","","0.0602","0.0609","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210476","8.4917","0.0017","9.0243","0.0018","9.0255","0.0018","78.37","0.03","65.06","0.03","84.04","0.03","614.1","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 La N O12 -","- C9 H10 La N O12 -","- C18 H20 La2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0268","0.0239","","","0.0558","0.0571","","","","","","1.131","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210477","8.69","0.006","8.933","0.006","9.369","0.006","77.65","0.03","80.88","0.02","71.042","0.019","668.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Tb -","- C9 H10 N O12 Tb -","- C18 H20 N2 O24 Tb2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0467","0.0424","","","0.1301","0.1312","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210478","8.718","0.003","8.963","0.003","9.39","0.004","77.884","0.016","80.88","0.015","71.22","0.015","675.9","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Eu N O12 -","- C9 H10 Eu N O12 -","- C18 H20 Eu2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0603","0.0474","","","0.1047","0.1091","","","","","","0.939","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210481","14.3152","0.0016","18.995","0.002","12.6405","0.0014","90","","90","","90","","3437.2","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H32 Cu2 N4 O16 -","- C32 H32 Cu2 N4 O16 -","- C128 H128 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0769","0.0403","","","0.0985","0.1163","","","","","","1.007","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210482","9.8482","0.0011","20.186","0.002","16.4951","0.0015","90","","123.748","0.005","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cu N4 O9 -","- C25 H22 Cu N4 O9 -","- C100 H88 Cu4 N16 O36 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0876","0.0555","","","0.1497","0.1623","","","","","","1.067","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210483","22.415","0.003","19.083","0.003","12.1863","0.0016","90","","115.048","0.003","90","","4722.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H28 Cu2 N4 O16 -","- C34 H28 Cu2 N4 O16 -","- C136 H112 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0738","0.0421","","","0.0892","0.0958","","","","","","0.962","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210484","9.8482","0.0011","20.186","0.002","13.7326","0.0016","90","","92.857","0.002","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cu N4 O8.5 -","- C25 H21 Cu N4 O8.5 -","- C100 H84 Cu4 N16 O34 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0891","0.0568","","","0.1663","0.1889","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210485","11.695","0.004","17.175","0.006","7.861","0.003","90","","91.037","0.007","90","","1578.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Br N O2 Pb -","- C6 H4 Br N O2 Pb -","- C48 H32 Br8 N8 O16 Pb8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.1169","0.0972","","","0.2662","0.2907","","","","","","1.103","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210486","6.0675","0.0003","6.9454","0.0003","19.8525","0.0008","90","","90","","90","","836.61","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O3 Pb -","- C6 H6 Br N O3 Pb -","- C24 H24 Br4 N4 O12 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.0493","0.049","","","0.114","0.1141","","","","","","1.231","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210487","11.7518","0.0009","16.3475","0.0012","23.4131","0.0018","90","","90","","90","","4498","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cu2 N8 O14 -","- C38 H44 Cu2 N8 O14 -","- C152 H176 Cu8 N32 O56 -","4","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.1135","0.0782","","","0.159","0.175","","","","","","1.073","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210488","8.2119","0.0008","8.7239","0.0009","14.2024","0.0014","90.923","0.002","96.679","0.002","99.903","0.002","994.82","0.17","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","1","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0832","0.0846","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210489","11.7263","0.001","19.1424","0.001","21.0208","0.0014","90","","90","","90","","4718.5","0.6","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H32 Cu N4 O10 -","- C16 H32 Cu N4 O10 -","- C128 H256 Cu8 N32 O80 -","8","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.053","0.0461","","","0.101","0.1038","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210490","6.9339","0.0005","8.4735","0.0006","15.3249","0.001","75.124","0.002","82.496","0.002","80.882","0.002","855.41","0.1","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","2","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0806","0.0617","","","0.1327","0.1532","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210491","6.78048","0.00006","18.42351","0.00023","5.86807","0.00006","90","","90","","90","","733.041","0.013","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 Ca O5 -","- C5 Ca O5 -","- C20 Ca4 O20 -","4","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.06356","","3.66","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210492","20.659","0.008","20.659","0.008","8.637","0.002","90","","90","","120","","3192.4","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","BioMIL-2ht","","","- C5 H6 Ca O4 -","- C5 H6 Ca O4 -","- C90 H108 Ca18 O72 -","18","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","","","0.71073","MoKα","","0.202","0.0699","","","0.1438","0.1829","","","","","","0.891","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210493","24.2864","0.001","11.3217","0.0005","16.9668","0.0007","90","","107.988","0.002","90","","4437.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O11 -","- C22 H26 N2 O11 -","- C176 H208 N16 O88 -","8","1","","Elbagerma, M. A.; Edwards, H. G. M.; Munshi, T.; Scowen, I. J.","Identification of a new cocrystal of citric acid and paracetamol of pharmaceutical relevance","CrystEngComm","2011","13","6","1877","","10.1039/c0ce00461h","","","0.71073","MoKα","","0.0839","0.0474","","","0.0811","0.092","","","","","","1.011","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210494","10.568","0.002","13.363","0.003","13.111","0.003","90","","112.4","0.03","90","","1711.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H47 Co2 N4 O9.5 -","- C34 H47 Co2 N4 O9.5 -","- C68 H94 Co4 N8 O19 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.044","0.0355","","","0.0913","0.1054","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210495","7.4338","0.0006","20.8333","0.0016","22.0157","0.0015","90","","90.768","0.001","90","","3409.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 Cd N4 O8 -","- C34 H46 Cd N4 O8 -","- C136 H184 Cd4 N16 O32 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0681","0.0544","","","0.1394","0.169","","","","","","1.092","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210496","7.146","0.0004","20.3903","0.0011","22.8153","0.0012","90","","91.79","0.004","90","","3322.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N4 O8 Zn -","- C34 H46 N4 O8 Zn -","- C136 H184 N16 O32 Zn4 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.1072","0.0636","","","0.1593","0.1924","","","","","","1.028","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210497","21.088","0.004","12.195","0.002","12.63","0.003","90","","120.74","0.03","90","","2791.7","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H34 Co2 N4 O7 -","- C26 H34 Co2 N4 O7 -","- C104 H136 Co8 N16 O28 -","4","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0663","0.0478","","","0.1092","0.12","","","","","","1.025","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210498","12.623","0.003","12.253","0.003","18.244","0.004","90","","95.69","0.03","90","","2807.9","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H34 N4 O7 Zn2 -","- C26 H34 N4 O7 Zn2 -","- C104 H136 N16 O28 Zn8 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0642","0.0487","","","0.129","0.1475","","","","","","1.058","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210499","10.309","0.004","13.977","0.005","15.65","0.006","71.099","0.006","84.32","0.005","72.49","0.006","2034.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cd2 N8 O14 -","- C40 H28 Cd2 N8 O14 -","- C80 H56 Cd4 N16 O28 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0554","0.0346","","","0.081","0.0987","","","","","","1.1","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210500","29.7088","0.001","29.7088","0.001","10.3135","0.0007","90","","90","","90","","9102.8","0.8","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H14 Cd N4 O5 -","- C21 H14 Cd N4 O5 -","- C336 H224 Cd16 N64 O80 -","16","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0796","0.0563","","","0.1334","0.1488","","","","","","1.081","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210501","21.225","0.002","17.3202","0.0018","21.869","0.002","90","","101.709","0.002","90","","7872.2","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H68 Cd4 N12 O33 -","- C72 H62 Cd4 N12 O33 -","- C288 H248 Cd16 N48 O132 -","4","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0358","0.0294","","","0.0679","0.0714","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210502","23.9052","0.0009","16.4095","0.0006","10.3284","0.0004","90","","102.334","0.001","90","","3958","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd2 N4 O13 -","- C36 H40 Cd2 N4 O13 -","- C144 H160 Cd8 N16 O52 -","4","0.5","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0386","0.0282","","","0.0688","0.0749","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210503","12.912","0.0018","14.868","0.002","17.797","0.003","99.296","0.002","107.664","0.002","100.141","0.003","3119.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cd2 N12 O23 -","- C52 H38 Cd2 N12 O23 -","- C104 H76 Cd4 N24 O46 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.1199","0.0543","","","0.1419","0.1806","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210504","10.2623","0.0006","10.887","0.0006","10.9849","0.0007","70.711","0.001","73.583","0.001","70.18","0.001","1069.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N5 O8 -","- C20 H11 Cd N5 O8 -","- C40 H22 Cd2 N10 O16 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0719","0.0745","","","","","","1.09","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210505","16.2942","0.0003","15.3925","0.0004","50.4286","0.0013","90","","96.817","0.002","90","","12558.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H364 Cl24 N24 Nd8 O74 -","- C168 H312 Cl24 N24 Nd8 O74 -","- C336 H624 Cl48 N48 Nd16 O148 -","2","0.5","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1024","0.0574","","","0.0634","0.0686","","","","","","1.004","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210506","41.1341","0.0003","41.1341","0.0003","41.1341","0.0003","90","","90","","90","","69599.5","0.9","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H478 Cl36 Dy12 N24 O131 -","- C168 H312 Cl36 Dy12 N24 O131 -","- C1344 H2496 Cl288 Dy96 N192 O1048 -","8","0.333333","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1547","0.0585","","","0.0889","0.0959","","","","","","0.962","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210507","14.5606","0.0003","27.2041","0.0005","29.0262","0.0005","90","","90.814","0.002","90","","11496.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 La3 N10 O66 -","- C70 H130 Cl9 La3 N10 O66 -","- C280 H520 Cl36 La12 N40 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0575","0.0374","","","0.082","0.0846","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210508","14.524","0.0002","27.1221","0.0005","28.9263","0.0005","90","","90.599","0.002","90","","11394.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 N10 Nd3 O66 -","- C70 H130 Cl9 N10 Nd3 O66 -","- C280 H520 Cl36 N40 Nd12 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1096","0.0874","","","0.2051","0.2126","","","","","","1.064","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210509","13.1386","0.0002","26.5893","0.0006","26.6992","0.0005","90","","90","","90","","9327.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 Dy4 N6 O66 -","- C42 H82 Cl8 Dy4 N6 O66 -","- C168 H328 Cl32 Dy16 N24 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0574","0.0382","","","0.0481","0.0503","","","","","","0.825","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210510","13.0726","0.0002","26.5154","0.0004","26.5492","0.0003","90","","90","","90","","9202.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 N6 O66 Yb4 -","- C42 H82 Cl8 N6 O66 Yb4 -","- C168 H328 Cl32 N24 O264 Yb16 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0359","0.0286","","","0.0462","0.0471","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210511","6.7993","0.0004","19.135","0.001","12.7204","0.0006","90","","94.261","0.002","90","","1650.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C60 H88 Ag4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0566","0.0315","","","0.0511","0.054","","","","","","1.065","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210512","6.4924","0.0004","13.0691","0.0008","13.8015","0.0007","90.224","0.002","95.777","0.002","98.978","0.002","1150.6","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0594","0.0393","","","0.0959","0.1032","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210513","8.417","0.003","10.601","0.004","38.544","0.011","90","","95.129","0.011","90","","3425","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H116 Au2 N8 -","- C66 H116 Au2 N8 -","- C132 H232 Au4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.153","0.0572","","","0.0814","0.1001","","","","","","1.042","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210514","6.5286","0.0013","12.843","0.003","13.746","0.003","89.31","0.03","83.39","0.03","81.26","0.03","1131.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0512","0.034","","","0.069","0.0733","","","","","","1.021","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210515","6.6481","0.0003","11.9345","0.0006","22.3115","0.001","78.366","0.003","88.925","0.004","85.506","0.003","1728.53","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1269","0.0556","","","0.0999","0.1155","","","","","","1.111","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210516","6.5879","0.0002","11.3381","0.0004","12.2853","0.0004","112.829","0.001","91.858","0.001","104.274","0.001","811.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0303","0.0225","","","0.0552","0.0587","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210517","9.2183","0.0007","9.5015","0.0007","24.6412","0.0018","83.832","0.003","81.225","0.002","76.505","0.003","2068.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 Cl2 N4 O2 -","- C38 H72 Cl2 N4 O2 -","- C76 H144 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1236","0.0562","","","0.1197","0.1466","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210518","8.7957","0.0003","26.8487","0.0008","10.6539","0.0004","90","","105.745","0.002","90","","2421.55","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-Diphenyl-ethane-1,2-dione monooxime","1,2-Diphenyl-ethane-1,2-dione monooxime","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0888","0.0494","","","0.1509","0.1757","","","","","","0.953","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210519","6.9211","0.0003","7.0512","0.0002","22.9837","0.0007","90","","93.948","0.002","90","","1118.99","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0725","0.0603","","","0.1561","0.1663","","","","","","1.135","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210520","6.015","0.001","7.3126","0.0013","31.207","0.006","90","","90","","90","","1372.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0861","0.0733","","","0.1662","0.1709","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210521","19.219","0.003","11.4306","0.0012","19.51","0.003","90","","90","","90","","4286","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0774","0.0443","","","0.1007","0.1111","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210522","11.6509","0.0011","8.9059","0.001","14.749","0.0015","90","","109.79","0.001","90","","1440","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Hg2 N2 O8 -","- C14 H6 Hg2 N2 O8 -","- C56 H24 Hg8 N8 O32 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0348","0.0259","","","0.0576","0.0602","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210523","8.3973","0.0017","20.078","0.004","13.076","0.004","90","","125.08","0.02","90","","1804.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Hg N3 O6 -","- C19 H15 Hg N3 O6 -","- C76 H60 Hg4 N12 O24 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0438","0.0386","","","0.1187","0.1227","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210524","17.0665","0.0019","6.853","0.001","15.3784","0.0014","90","","116.652","0.001","90","","1607.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Ca Hg N3 O7 S2 -","- C9 H9 Ca Hg N3 O7 S2 -","- C36 H36 Ca4 Hg4 N12 O28 S8 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0445","0.0287","","","0.0624","0.0681","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210525","30.74","0.003","6.8408","0.0005","15.7361","0.0018","90","","100.679","0.002","90","","3251.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Hg N3 O7 S2 Sr -","- C9 H9 Hg N3 O7 S2 Sr -","- C72 H72 Hg8 N24 O56 S16 Sr8 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0557","0.0443","","","0.1116","0.1176","","","","","","0.997","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210526","30.645","0.003","7.0037","0.0009","15.9747","0.0019","90","","100.309","0.002","90","","3373.3","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Ba Hg N3 O7 S2 -","- C9 H9 Ba Hg N3 O7 S2 -","- C72 H72 Ba8 Hg8 N24 O56 S16 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.071","0.0366","","","0.0526","0.0589","","","","","","0.849","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210527","12.1516","0.0005","8.0418","0.0003","18.4027","0.0008","90","","98.503","0.001","90","","1778.56","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O6 Zn -","- C16 H16 N2 O6 Zn -","- C64 H64 N8 O24 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0578","0.0485","","","0.0924","0.0962","","","","","","1.213","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210528","8.0228","0.0003","8.1119","0.0003","19.1586","0.0008","78.6019","0.0014","87.3341","0.0013","88.6256","0.0014","1220.79","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N2 O15 Zn2 -","- C22 H23 N2 O15 Zn2 -","- C44 H46 N4 O30 Zn4 -","2","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0533","0.045","","","0.1079","0.1178","","","","","","1.196","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210529","12.2208","0.0002","12.2208","0.0002","25.9835","0.0007","90","","90","","120","","3360.68","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O48 Sc7 -","- C30 H18 O48 Sc7 -","- C90 H54 O144 Sc21 -","3","0.166667","","Bernini, Maria Celeste; Snejko, Natalia; Gutierrez-Puebla, Enrique; Monge, Angeles","From globular star-shaped molecules to self-assembled nano-spheres: a novel scandium croconate polynuclear complex","CrystEngComm","2011","13","6","1797","","10.1039/c0ce00649a","","","1.54178","CuKα","","0.0313","0.029","","","0.087","0.0881","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210530","14.4171","0.0008","8.0418","0.0004","31.454","0.002","90","","90","","90","","3646.8","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0867","0.0364","","","0.0629","0.076","","","","","","0.991","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210531","14.4059","0.0011","7.9797","0.0003","31.467","0.002","90","","90","","90","","3617.3","0.4","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0817","0.04","","","0.0705","0.0839","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210532","14.3893","0.0012","7.9176","0.0004","31.485","0.003","90","","90","","90","","3587","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0891","0.0431","","","0.0699","0.0824","","","","","","0.975","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210533","14.3879","0.0013","7.8591","0.0008","31.494","0.003","90","","90","","90","","3561.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0596","0.0353","","","0.0696","0.0777","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210534","14.3623","0.0006","7.823","0.0004","31.5402","0.0013","90","","90","","90","","3543.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0464","0.0335","","","0.0797","0.0845","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210535","14.384","0.0005","7.7638","0.0003","31.8297","0.0011","90","","90","","90","","3554.6","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0678","0.0515","","","0.132","0.1371","","","","","","1.276","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210536","14.365","0.0005","7.7434","0.0002","31.8361","0.001","90","","90","","90","","3541.25","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0388","0.032","","","0.0717","0.0744","","","","","","1.125","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210537","12.4169","0.0006","9.8259","0.0006","14.0212","0.0009","90","","91.585","0.005","90","","1710.03","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1338","0.0517","","","0.1041","0.1332","","","","","","0.967","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210538","12.0232","0.0012","8.3543","0.0012","17.166","0.002","90","","98.84","0.005","90","","1703.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1105","0.0535","","","0.1353","0.1646","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210539","5.6686","0.0002","7.1886","0.0003","12.3615","0.0005","75.833","0.002","80.649","0.001","79.137","0.001","476.06","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0523","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210540","10.7778","0.0005","11.612","0.0005","18.5198","0.0009","90","","97.184","0.003","90","","2299.59","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Cl2 O4 -","- C21 H20 Br2 Cl2 O4 -","- C84 H80 Br8 Cl8 O16 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1208","0.0473","","","0.0853","0.1027","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210541","7.7087","0.0005","8.0642","0.0003","9.4794","0.0006","85.956","0.002","88.701","0.002","63.24","0.002","524.83","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1061","0.1092","","","","","","1.095","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210542","27.6859","0.0005","16.9435","0.0004","28.0346","0.0006","90","","101.603","0.001","90","","12882.2","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 O13 S7 Tb -","- C38 H57 O13 S7 Tb -","- C304 H456 O104 S56 Tb8 -","8","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.079","0.0547","","","0.1528","0.1671","","","","","","1.046","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210543","16.5736","0.0007","21.7897","0.0008","35.132","0.0014","90","","90","","90","","12687.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Eu2 O29 S17 -","- C82 H132 Eu2 O29 S17 -","- C328 H528 Eu8 O116 S68 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0859","0.061","","","0.1343","0.143","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210544","8.7097","0.0003","14.0738","0.0005","16.2065","0.0006","114.085","0.002","91.028","0.002","94.463","0.002","1805.42","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Eu N O8 S3 -","- C33 H32 Eu N O8 S3 -","- C66 H64 Eu2 N2 O16 S6 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0774","0.0589","","","0.1475","0.1621","","","","","","1.029","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210545","8.6455","0.0012","14.142","0.002","16.283","0.003","114.24","0.009","91.363","0.009","94.361","0.01","1806.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 N O8 S3 Tb -","- C33 H32 N O8 S3 Tb -","- C66 H64 N2 O16 S6 Tb2 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0659","0.0523","","","0.1373","0.1448","","","","","","0.972","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210546","23.125","0.003","10.7039","0.0007","21.391","0.005","90","","118.741","0.005","90","","4642.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 I2 N8 O2 S2 -","- C10 H22 Cu2 I2 N8 O2 S2 -","- C80 H176 Cu16 I16 N64 O16 S16 -","8","1","","Li, Hao-Hong; Wang, Yun-Jie; Dong, Hai-Jun; Chen, Zhi-Rong; Wu, Yan-Ling; Wang, Min; Huang, Shu-Wei","An organic‒inorganic hybrid heterobridging luminescent copper(i) polymer exhibiting thermochromic behavior","CrystEngComm","2011","13","6","1778","","10.1039/c0ce00754d","","","0.71073","MoKα","","0.0526","0.0424","","","0.1176","0.1261","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210547","10.852","0.005","13.748","0.007","13.879","0.007","90","","97.856","0.008","90","","2051.2","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Olanzapine-Maleic acid 1:1","","","- C21 H24 N4 O4 S -","- C21 H24 N4 O4 S -","- C84 H96 N16 O16 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.0502","0.0418","","","0.1125","0.1188","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210548","8.518","0.003","9.804","0.004","16.21","0.006","95.956","0.007","97.945","0.007","107.789","0.007","1261.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-Maleic acid 1:2","","","- C25 H28 N4 O8 S -","- C25 H28 N4 O8 S -","- C50 H56 N8 O16 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.1167","0.0864","","","0.1789","0.1987","","","","","","1.243","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7210549","14.1795","0.0003","23.7646","0.0005","18.7113","0.0005","90","","90","","90","","6305.1","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H52.5 K1.5 O32 Zn5 -","- C54 H48 K1.5 O32 Zn5 -","- C216 H192 K6 O128 Zn20 -","4","1","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.0811","0.0557","","","0.1485","0.1674","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210550","7.1319","0.0014","24.327","0.005","18.849","0.004","90","","90","","90","","3270.3","1.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Na2 O16.5 Zn2 -","- C27 H22 Na2 O16.5 Zn2 -","- C108 H88 Na8 O66 Zn8 -","4","0.5","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.103","0.0651","","","0.1675","0.1974","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210551","24.2508","0.0006","12.6282","0.0003","13.2061","0.0003","90","","119.793","0.001","90","","3509.74","0.15","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H27 Ag2 N8 O10 -","- C33 H21 Ag2 N8 O10 -","- C132 H84 Ag8 N32 O40 -","4","0.5","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0975","0.1038","","","","","","1.048","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210552","24.0171","0.0011","10.0687","0.0005","18.5808","0.0008","90","","90","","90","","4493.2","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H35 Ag2 N9 O13 -","- C44 H32 Ag2 N9 O13 -","- C176 H128 Ag8 N36 O52 -","4","1","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0732","0.0466","","","0.0866","0.1009","","","","","","1.141","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210553","7.8571","0.0016","10.889","0.002","11.869","0.002","69.57","0.03","75.68","0.03","70.86","0.03","888.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H0 Co2 N0 O0 -","- C40 H28 Co2 N8 O8 -","- C40 H28 Co2 N8 O8 -","1","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0823","0.0668","","","0.1783","0.1864","","","","","","1.168","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210554","27.028","0.005","10.493","0.002","17.871","0.004","90","","120.32","0.03","90","","4375","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Co3 N8 O16 -","- C42 H34 Co3 N8 O16 -","- C168 H136 Co12 N32 O64 -","4","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0335","0.0298","","","0.0696","0.0711","","","","","","1.126","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210555","9.5455","0.0019","10.271","0.002","10.628","0.002","62.03","0.03","68.68","0.03","83.38","0.03","855.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Co N4 O5 -","- C17 H13 Co N4 O5 -","- C34 H26 Co2 N8 O10 -","2","1","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.058","0.0436","","","0.09","0.0953","","","","","","1.075","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210556","12.7109","0.0003","9.5071","0.0003","12.7444","0.0004","90","","90","","90","","1540.08","0.08","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H10 Br F4 N3 -","- C15 H10 Br F4 N3 -","- C60 H40 Br4 F16 N12 -","4","1","","Saunders, Graham C.","On the importance of π–π stacking and cation–anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings","CrystEngComm","2011","13","6","1801","","10.1039/c1ce00003a","","","0.71073","MoKα","","0.0261","0.0214","","","0.0511","0.0528","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:27",""
"7215293","10.373","0.006","11.875","0.007","15.088","0.009","93.108","0.007","104.184","0.005","105.905","0.006","1718.1","1.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Zn_NDI_CID","Zn_NDI_CID","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C60 H28 N8 O16 S2 Zn2 -","2","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71075","MoKα","","0.0972","0.0757","","","0.2074","0.2183","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215294","17.615","0.005","16.644","0.005","19.66","0.005","90","0.005","91.89","0.005","90","0.005","5761","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C120 H56 N16 O32 S4 Zn4 -","4","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71073","MoKα","","0.0887","0.0643","","","0.1819","0.1911","","","","","","0.88","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215295","7.2013","0.0016","7.3815","0.0016","11.328","0.002","77.121","0.003","77.612","0.002","75.969","0.003","561.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(1-H-imidaozol-1-yl)benzoic Acid","","","- C10 H11 Cl N2 O3 -","- C10 H9 Cl N2 O3 -","- C20 H18 Cl2 N4 O6 -","2","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0925","0.0731","","","0.2171","0.2427","","","","","","1.056","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215296","14.465","0.008","7.83","0.004","11.406","0.006","90","","111.139","0.006","90","","1204.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(1-Methyl-imidaozol-1-yl)benzoic Acid","","","- C11 H13 Cl N2 O3 -","- C11 H11 Cl N2 O3 -","- C44 H44 Cl4 N8 O12 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0927","0.0522","","","0.1393","0.1654","","","","","","1.037","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215297","8.0674","0.0004","8.0674","0.0004","28.0367","0.0006","90","","90","","90","","1824.71","0.13","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0706","0.0435","","","0.1008","0.1141","","","","","","1.007","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215298","8.0814","0.0003","8.0814","0.0003","28.0836","0.0004","90","","90","","90","","1834.11","0.1","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0461","0.0329","","","0.0691","0.0742","","","","","","0.976","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215299","19.0367","0.0016","8.23","0.0007","18.2963","0.0015","90","","90","","90","","2866.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.85 H20.65 Cd N4.95 O6.7 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0359","0.0282","","","0.0686","0.072","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215300","18.8725","0.0015","18.8725","0.0015","8.0221","0.0013","90","","90","","90","","2857.2","0.6","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H27.85 Cd N5.3 O6.05 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0752","0.0462","","","0.0605","0.0653","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215301","18.5718","0.0009","18.5718","0.0009","7.7776","0.0008","90","","90","","90","","2682.6","0.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H29.5 Co N5 O6.3 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0574","0.0509","","","0.1275","0.1315","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215302","15.573","0.002","19.416","0.003","19.664","0.003","90","","90","","90","","5945.7","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30.8 H37.8 Cd N6.2 O6.2 -","- C22 H18 Cd N4 O4 -","- C176 H144 Cd8 N32 O32 -","8","","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0665","0.0451","","","0.0785","0.084","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215303","9.5451","0.0003","14.2427","0.0005","7.3811","0.0002","90","","102.716","0.002","90","","978.83","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxyaspirin","2-acetyloxy-3-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0503","0.0403","","","0.1013","0.107","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215304","4.9084","0.0001","10.0101","0.0005","17.4781","0.0009","90","","96.917","0.003","90","","852.51","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-fluoroaspirin","2-acetyloxy-4-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0692","0.0477","","","0.1084","0.1215","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215305","5.0688","0.0001","9.4619","0.0003","20.0281","0.0006","90","","94.069","0.002","90","","958.14","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-methoxyaspirin","2-acetyloxy-4-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0729","0.0534","","","0.1239","0.1327","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215306","5.0385","0.0001","17.3609","0.0005","10.8931","0.0003","90","","95.402","0.002","90","","948.62","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxyaspirin","2-acetyloxy-5-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0437","0.0374","","","0.0924","0.097","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215307","7.3711","0.0002","7.0952","0.0001","16.7141","0.0004","90","","100.919","0.001","90","","858.31","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-fluoroaspirin","2-acetyloxy-6-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0439","0.0387","","","0.0877","0.0918","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215308","18.0847","0.0008","18.0847","0.0008","9.9217","0.0009","90","","90","","90","","3245","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","cadmium 2-nitroimidazolate","","","- C4.5 H3 Cd0.75 N4.5 O3 -","- C4.5 H3 Cd0.75 N4.5 O3 -","- C72 H48 Cd12 N72 O48 -","16","1","","Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi","A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology","CrystEngComm","2011","13","10","3470","","10.1039/c1ce05055a","","","0.71073","MoKα","","0.0338","0.0255","","","0.0623","0.0668","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215309","16.744","0.006","15.092","0.006","22.518","0.008","90","","90","","90","","5690","4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H48 Co3 N6 O14 S3 -","- C50 H48 Co3 N6 O14 S3 -","- C200 H192 Co12 N24 O56 S12 -","4","0.5","","Zou, Hua-Hong; He, Yan-Ping; Gui, Liu-Cheng; Liang, Fu-Pei","A new 8-connected porous coordination polymer: crystal structure and selective adsorption properties","CrystEngComm","2011","13","10","3325","","10.1039/c1ce05103b","","","0.71073","MoKα","","0.1027","0.0825","","","0.2235","0.2415","","","","","","1.121","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215310","7.546","0.0015","10.948","0.002","7.804","0.0016","90","","90","","90","","644.7","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 N O3 P -","- C5 H6 N O3 P -","- C20 H24 N4 O12 P4 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0254","0.0209","","","0.0516","0.0531","","","","","","0.955","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215311","19.948","0.003","28.534","0.004","5.304","0.001","90","","90","","90","","3019","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-(dihydroxyphosphoryl)nicotinic acid","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C96 H96 N16 O80 P16 -","16","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0301","0.0249","","","0.0576","0.0592","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215312","7.0495","0.0014","10.49","0.002","10.813","0.002","90","","90","","90","","799.6","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0278","0.022","","","0.0548","0.0548","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215313","10.0108","0.0002","18.514","0.0004","18.8711","0.0004","90","","96.628","0.002","90","","3474.19","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cd N7 O7 -","- C35 H29 Cd N7 O7 -","- C140 H116 Cd4 N28 O28 -","4","1","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","1.54184","CuKα","","0.133","0.0722","","","0.1716","0.2049","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215314","10.175","0.0003","13.289","0.0004","15.712","0.0007","109.992","0.003","94.333","0.003","90.49","0.002","1989.44","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","0.71069","MoKα","","0.0853","0.0431","","","0.0958","0.1048","","","","","","0.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215315","7.8127","0.0017","18.72","0.004","13.281","0.003","90","","94.294","0.004","90","","1936.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N5 O5 Zn -","- C17 H17 N5 O5 Zn -","- C68 H68 N20 O20 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.0827","0.0526","","","0.1508","0.191","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215316","9.267","0.004","13.257","0.006","16.324","0.007","90","","94.975","0.009","90","","1997.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.1189","0.064","","","0.1675","0.198","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215317","10.283","0.003","10.282","0.003","17.38","0.005","93.327","0.004","98.686","0.005","111.005","0.007","1683.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N12 O7 Zn2 -","- C26 H28 Cl N12 O7 Zn2 -","- C52 H56 Cl2 N24 O14 Zn4 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.0685","0.0557","","","0.1567","0.1683","","","","","","1.091","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215318","10.3742","0.0003","10.9261","0.0005","11.5914","0.0011","68.78","0.03","65.22","0.02","62.77","0.02","1036.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 Zn -","- C16 H18 N6 O7 Zn -","- C32 H36 N12 O14 Zn2 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.126","0.0717","","","0.1868","0.2686","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215319","9.303","0.006","8.413","0.006","8.161","0.006","90","","90","","90","","638.7","0.8","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H5 N3 O2 Zn -","- C4 H5 N3 O2 Zn -","- C16 H20 N12 O8 Zn4 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.03","0.0276","","","0.0628","0.0645","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215320","7.663","0.003","10.104","0.004","17.426","0.008","90","","90","","90","","1349.2","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H9 N9 O2 Zn2 -","- C8 H9 N9 O2 Zn2 -","- C32 H36 N36 O8 Zn8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0349","0.0312","","","0.0738","0.0761","","","","","","1.107","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215321","11.856","0.008","12.019","0.008","16.688","0.012","90","","90","","90","","2378","3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H20 Cd3 Cl3 N11 O2 -","- C12 H20 Cd3 Cl3 N11 O2 -","- C48 H80 Cd12 Cl12 N44 O8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0463","0.0418","","","0.0929","0.0956","","","","","","1.072","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215322","7.09","0.02","7.24","0.02","11.96","0.03","90","","90","","90","","614","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H5 Cd Cl2 N3 O -","- C2 H3 Cd Cl2 N3 O -","- C8 H12 Cd4 Cl8 N12 O4 -","4","0.25","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0636","0.0624","","","0.2184","0.2198","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215323","16.562","0.007","10.103","0.004","7.904","0.003","90","","90","","90","","1322.5","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cd2 Cl N12 -","- C6 H9 Cd2 Cl N12 -","- C24 H36 Cd8 Cl4 N48 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0274","0.0254","","","0.0579","0.0592","","","","","","1.079","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215324","14.277","0.0007","13.671","0.0008","25.33","0.0013","90","","93.47","0.001","90","","4934.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co N4 O19 Y2 -","- C50 H34 Co N4 O19 Y2 -","- C200 H136 Co4 N16 O76 Y8 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1145","0.0505","","","0.1087","0.1365","","","","","","0.975","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215325","14.217","0.003","13.665","0.002","25.382","0.005","90","","93.176","0.008","90","","4923.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O19 Y2 Zn -","- C50 H34 N4 O19 Y2 Zn -","- C200 H136 N16 O76 Y8 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0793","0.0439","","","0.0866","0.0975","","","","","","1.021","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215326","14.24","0.0013","13.651","0.0014","25.338","0.003","90","","93.315","0.002","90","","4917.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co Er2 N4 O19 -","- C50 H34 Co Er2 N4 O19 -","- C200 H136 Co4 Er8 N16 O76 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1086","0.0532","","","0.0987","0.1298","","","","","","0.969","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215327","14.294","0.003","13.645","0.002","25.265","0.005","90","","93.582","0.009","90","","4918.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Er2 N4 O19 Zn -","- C50 H34 Er2 N4 O19 Zn -","- C200 H136 Er8 N16 O76 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.049","0.0341","","","0.0619","0.0662","","","","","","1.034","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215328","14.479","0.0013","13.914","0.0013","25.214","0.002","90","","93.886","0.001","90","","5068","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Co2 N8 O35 Sm4 -","- C100 H68 Co2 N8 O35 Sm4 -","- C200 H136 Co4 N16 O70 Sm8 -","2","0.5","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1362","0.0708","","","0.1748","0.2129","","","","","","1.022","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7215329","13.552","0.0008","17.794","0.001","19.514","0.0011","73.946","0.001","81.002","0.001","86.582","0.001","4465.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 N14 Ni2 O30 Y2 -","- C88 H75 N14 Ni2 O30 Y2 -","- C176 H150 N28 Ni4 O60 Y4 -","2","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0914","0.0512","","","0.1059","0.1234","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215330","7.432","0.014","24.68","0.03","11.157","0.018","90","","91.7","0.14","90","","2046","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1298","0.0728","","","0.2","0.226","","","","","","1.104","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215331","8.2036","0.0004","26.8324","0.0016","10.988","0.0006","90","","90.202","0.004","90","","2418.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I4 N2 Zn -","- C16 H24 I4 N2 Zn -","- C64 H96 I16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0793","0.0592","","","0.149","0.1603","","","","","","1.089","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215332","7.868","0.0009","25.864","0.003","11.0185","0.0014","90","","91.086","0.002","90","","2241.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Cd N2 -","- C16 H24 Br4 Cd N2 -","- C64 H96 Br16 Cd4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0803","0.0417","","","0.1188","0.1329","","","","","","0.891","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215333","10.94","0.002","8.214","0.002","13.556","0.003","90","","99.132","0.017","90","","1202.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1048","0.0654","","","0.1924","0.2383","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215334","7.8392","0.0016","25.756","0.005","11.016","0.002","90","","91.03","0.03","90","","2223.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Hg N2 -","- C16 H24 Br4 Hg N2 -","- C64 H96 Br16 Hg4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0899","0.0426","","","0.1017","0.1085","","","","","","0.895","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215335","10.8319","0.0016","8.396","0.0012","13.5792","0.0019","90","","98.66","0.003","90","","1220.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0581","0.0375","","","0.089","0.0967","","","","","","1.045","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215336","7.6962","0.0017","25.541","0.004","11.1314","0.0019","90","","91.782","0.016","90","","2187","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br Cl2 I N2 Zn -","- C16 H24 Br Cl2 I N2 Zn -","- C64 H96 Br4 Cl8 I4 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1198","0.0949","","","0.2772","0.301","","","","","","1.142","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215337","10.1716","0.0002","12.1281","0.0003","12.4038","0.0003","90","","111.816","0.001","90","","1420.57","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","0.71073","MoKα","","0.0434","0.0395","","","0.1111","0.1146","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215338","17.0269","0.0004","23.4679","0.0006","6.9207","0.0002","90","","90","","90","","2765.41","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","1.54178","CuKα","","0.0318","0.0308","","","0.088","0.0892","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215339","8.72","0.001","8.969","0.0012","9.422","0.0012","77.951","0.011","80.69","0.01","71.308","0.011","679.06","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Gd N O12 -","- C9 H10 Gd N O12 -","- C18 H20 Gd2 N2 O24 -","2","1","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0955","0.0845","","","0.1945","0.2034","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215340","8.6761","0.0012","9.3984","0.0014","10.5809","0.0017","92.225","0.011","102.987","0.01","109.636","0.009","785.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.116","0.0837","","","0.1813","0.1968","","","","","","1.013","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215341","8.6552","0.001","9.276","0.0011","10.695","0.0011","93.603","0.006","101.819","0.006","109.742","0.006","782.89","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1089","0.1144","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215342","8.7113","0.0003","9.1913","0.0004","10.5321","0.0004","86.054","0.002","77.189","0.002","71.101","0.002","777.96","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0279","0.025","","","0.0639","0.0659","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215343","8.7196","0.0001","9.222","0.0002","10.5926","0.0002","86.003","0.001","77.168","0.001","71.09","0.001","785.68","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0208","0.0184","","","0.044","0.0449","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215344","10.393","0.002","11.27","0.002","12.065","0.002","105.91","0.03","95.95","0.03","96.73","0.03","1336","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.031","0.0248","","","0.0505","0.0526","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215345","8.011","0.0016","13.379","0.003","13.674","0.003","74.93","0.03","83.71","0.03","86.61","0.03","1405.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 N2 O7 Tb Zn -","- C25 H25 Cl2 N2 O7 Tb Zn -","- C50 H50 Cl4 N4 O14 Tb2 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0549","0.0455","","","0.1354","0.1427","","","","","","1.172","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215346","7.99","0.003","13.377","0.005","13.685","0.005","74.414","0.006","83.644","0.007","86.54","0.007","1399.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 Dy N2 O7 Zn -","- C25 H25 Cl2 Dy N2 O7 Zn -","- C50 H50 Cl4 Dy2 N4 O14 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.1104","0.0774","","","0.2232","0.2757","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215347","11.979","0.006","13.2","0.007","13.26","0.007","116.241","0.007","91.775","0.008","104.446","0.008","1796.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0662","0.0454","","","0.1106","0.121","","","","","","1.049","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215348","7.5724","0.0002","12.3856","0.0003","8.0889","0.0002","90","","94.12","0.002","90","","756.69","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H12 Ga2 N2 Se7 -","- C3 H12 Ga2 N2 Se7 -","- C6 H24 Ga4 N4 Se14 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0342","0.0279","","","0.0534","0.0541","","","","","","1","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215349","11.766","0.0004","11.7743","0.0004","10.9763","0.0004","90","","110.17","0.004","90","","1427.36","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Ga2 N2 Se5 -","- C4 H14 Ga2 N2 Se5 -","- C16 H56 Ga8 N8 Se20 -","4","0.5","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.026","0.0183","","","0.0369","0.0374","","","","","","1.033","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215350","14.135","0.012","8.456","0.007","14.066","0.013","90","","100.318","0.017","90","","1654","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Ga2 N2 Se6 -","- C4 H16 Ga2 N2 Se6 -","- C16 H64 Ga8 N8 Se24 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0765","0.0538","","","0.1233","0.1374","","","","","","1.087","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215351","6.9815","0.0019","15.436","0.004","11.831","0.003","90","","91.462","0.004","90","","1274.6","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H32 Ga2 N6 Se6 -","- C12 H32 Ga2 N6 Se6 -","- C24 H64 Ga4 N12 Se12 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0587","0.0453","","","0.0813","0.0868","","","","","","1.011","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215352","10.623","0.005","16.495","0.008","7.163","0.004","90","","94.935","0.012","90","","1250.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ga N3 Se3 -","- C6 H16 Ga N3 Se3 -","- C24 H64 Ga4 N12 Se12 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0672","0.0511","","","0.1118","0.1216","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215353","5.24562","0.00017","4.73223","0.00013","12.3051","0.0004","90","","90.426","0.003","90","","305.447","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0308","0.0285","","","0.0676","0.0681","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215354","5.3555","0.0013","4.7543","0.0008","12.313","0.003","90","","90.124","0.019","90","","313.51","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0437","0.041","","","0.1028","0.1039","","","","","","1.461","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215355","17.9898","0.0015","4.64836","0.00012","12.8789","0.0011","90","","132.957","0.014","90","","788.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethylenediamonnium metaarsenate(III)","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0359","0.0289","","","0.0704","0.072","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215356","15.4872","0.0009","4.63256","0.00013","12.4361","0.0006","90","","112.001","0.006","90","","827.26","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzylammonium metaarsenate(III)","","- C7 H10 As N O2 -","- C7 H10 As N O2 -","- C28 H40 As4 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0715","0.041","","","0.0822","0.0878","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215357","5.47942","0.00018","4.65117","0.00016","10.4691","0.0003","90","","94.937","0.003","90","","265.823","0.015","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methylammonium metaarsenate(III) hydrate","","- C H8 As N O3 -","- C H8 As N O3 -","- C2 H16 As2 N2 O6 -","2","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0188","0.0172","","","0.0423","0.0426","","","","","","1.039","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215358","4.7049","0.0004","18.8608","0.0016","6.1721","0.0005","90","","91.821","0.009","90","","547.42","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethanolammonium metaarsenate(III)","","- C2 H8 As N O3 -","- C2 H8 As N O3 -","- C8 H32 As4 N4 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0505","0.0396","","","0.0765","0.0799","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215359","7.953","0.0019","11.212","0.003","12.307","0.003","90","","103.187","0.004","90","","1068.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N6 -","- C10 H16 N6 -","- C40 H64 N24 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0821","0.0626","","","0.1522","0.1749","","","","","","1.13","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215360","12.4905","0.0017","11.1849","0.0015","11.9231","0.0016","90","","117.768","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag Cl N6 O4 -","- C10 H16 Ag Cl N6 O4 -","- C40 H64 Ag4 Cl4 N24 O16 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0738","0.0513","","","0.1429","0.2353","","","","","","1.187","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215361","8.7996","0.0013","12.983","0.0019","13.942","0.002","90","","101.802","0.002","90","","1559.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Ag N7 O5 -","- C10 H20 Ag N7 O5 -","- C40 H80 Ag4 N28 O20 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0807","0.0532","","","0.1482","0.2324","","","","","","1.139","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215362","11.066","0.0005","13.8214","0.0006","16.8387","0.0007","90","","103.31","0.001","90","","2506.26","0.19","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Co2 N2 O13 -","- C22 H26 Co2 N2 O12 -","- C88 H104 Co8 N8 O48 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0506","0.0376","","","0.0945","0.1017","","","","","","1.051","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215363","16.2417","0.0011","10.7616","0.0007","25.6486","0.0017","90","","90","","90","","4483","0.5","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Mn3 N4 O18 -","- C44 H32 Mn3 N4 O18 -","- C176 H128 Mn12 N16 O72 -","4","0.5","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0828","0.0657","","","0.189","0.2036","","","","","","1.031","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215364","10.781","0.0005","15.8837","0.0007","25.1737","0.0011","90","","90","","90","","4310.8","0.3","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H40 Mg3 N3 O21 -","- C39 H30 Mg3 N2 O20.65 -","- C156 H120 Mg12 N8 O82.6 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.098","0.073","","","0.1979","0.2232","","","","","","1.064","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215365","8.769","0.002","15.024","0.002","21.216","0.002","94.818","0.003","99.983","0.005","98.226","0.006","2707.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 Cl6 N3 O6 P3 -","- C66 H35 Cl6 N3 O6 P3 -","- C132 H70 Cl12 N6 O12 P6 -","2","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.0762","0.0669","","","0.1895","0.1965","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215366","14.909","0.002","31.013","0.004","9.074","0.001","90","","102.12","0.007","90","","4102.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 N3 O6 P3 -","- C54 H30 N3 O6 P3 -","- C216 H120 N12 O24 P12 -","4","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.05","0.0401","","","0.1028","0.1081","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215367","17.3759","0.0007","19.6161","0.0012","12.153","0.0004","90","","128.409","0.002","90","","3245.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co4 N4 O17 -","- C28 H24 Co4 N4 O17 -","- C112 H96 Co16 N16 O68 -","4","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.0422","","","0.113","0.1231","","","","","","1.035","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215368","11.2742","0.0002","20.1605","0.0004","12.0927","0.0002","90","","116.682","0.001","90","","2455.9","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Co4 N8 O19.5 -","- C40 H47 Co4 N8 O19.5 -","- C80 H94 Co8 N16 O39 -","2","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.069","","","0.2401","0.3287","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215369","10.0028","0.0011","11.9202","0.0013","14.3524","0.0016","99.776","0.001","102.13","0.001","110.143","0.002","1515.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.2 Cu2 N6 O11.6 -","- C20 H30 Cu2 N6 O11 -","- C40 H60 Cu4 N12 O22 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0644","0.0408","","","0.1041","0.1152","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215370","24.55","0.018","15.285","0.011","14.484","0.01","90","","122.935","0.01","90","","4562","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Cu N12 O13 -","- C35 H50 Cu N12 O13 -","- C140 H200 Cu4 N48 O52 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1313","0.0635","","","0.182","0.2222","","","","","","1.032","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215371","8.966","0.002","10.949","0.003","11.62","0.003","100.988","0.003","98.286","0.003","102.071","0.003","1074.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl Cu0.5 N7 O4 -","- C17 H18 Cl Cu0.5 N7 O4 -","- C34 H36 Cl2 Cu N14 O8 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1528","0.1219","","","0.3642","0.3833","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215372","11.8981","0.0003","16.9246","0.0005","19.3535","0.0005","90","","125.174","0.002","90","","3185.62","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Co2 N18 O26 S2 -","- C44 H76 Co2 N18 O26 S2 -","- C88 H152 Co4 N36 O52 S4 -","2","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0834","0.0534","","","0.1559","0.1741","","","","","","1.058","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215373","22.5556","0.0007","8.7941","0.0002","16.2863","0.0004","90","","100.318","0.003","90","","3178.25","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O4 Zn -","- C34 H32 N4 O4 Zn -","- C136 H128 N16 O16 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0762","0.0578","","","0.1769","0.1875","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215374","22.4668","0.001","8.6151","0.0003","16.9974","0.0006","90","","102.055","0.004","90","","3217.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O6 Zn -","- C34 H32 N4 O6 Zn -","- C136 H128 N16 O24 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1081","0.0633","","","0.1629","0.1798","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215375","18.6361","0.0005","13.5949","0.0009","12.7863","0.0006","90","","90","","90","","3239.5","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C34 H30 N6 O8 Zn -","- C34 H30 N6 O8 Zn -","- C136 H120 N24 O32 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1512","0.048","","","0.0802","0.0906","","","","","","0.853","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215376","8.8418","0.0003","9.512","0.0004","9.6826","0.0004","85.966","0.004","87.778","0.003","78.915","0.003","796.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0776","0.0676","","","0.192","0.2034","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215377","9.8","0.003","12.756","0.006","16.818","0.005","71.521","0.003","88.204","0.002","70.909","0.005","1878.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N8 O12 Zn -","- C34 H28 N8 O12 Zn -","- C68 H56 N16 O24 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71069","MoKα","","0.0998","0.0811","","","0.2252","0.2414","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215378","10.4659","0.0002","14.632","0.0004","16.5116","0.0004","90","","90","","90","","2528.54","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C112 H104 N16 O16 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0895","0.0643","","","0.1738","0.1844","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215379","8.7123","0.0005","9.9185","0.0005","11.6794","0.0009","69.257","0.006","70.439","0.006","65.82","0.006","839.46","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 O5 Zn -","- C18 H17 N2 O5 Zn -","- C36 H34 N4 O10 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0807","0.0574","","","0.1553","0.1655","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215380","10.8685","0.0003","16.3185","0.0004","8.5098","0.0002","90","","90.088","0.002","90","","1509.28","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N2 O5 Zn -","- C14 H15 N2 O5 Zn -","- C56 H60 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0843","0.0607","","","0.1823","0.1971","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215381","10.3571","0.0002","16.6387","0.0004","15.4241","0.0004","90","","98.106","0.002","90","","2631.46","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Ag2 N4 O5 -","- C28 H28 Ag2 N4 O5 -","- C112 H112 Ag8 N16 O20 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0711","0.0331","","","0.062","0.0676","","","","","","0.823","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215382","9.7504","0.0008","9.8666","0.0008","10.0927","0.0007","92.064","0.006","114.696","0.007","119.342","0.009","732.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ag N2 O4 -","- C14 H17 Ag N2 O4 -","- C28 H34 Ag2 N4 O8 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0953","0.0395","","","0.0657","0.0735","","","","","","0.833","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215383","11.6759","0.0003","13.2549","0.0004","19.194","0.0005","87.414","0.002","85.056","0.002","86.352","0.002","2951.12","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H111 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1365","0.0601","","","0.1574","0.1791","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215384","21.091","0.006","8.2252","0.0018","10.579","0.003","90","","120.686","0.005","90","","1578.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu N6 O6 -","- C10 H18 Cu N6 O6 -","- C40 H72 Cu4 N24 O24 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0341","0.0314","","","0.0791","0.0815","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215385","7.4564","0.0013","17.654","0.003","8.7158","0.0016","90","","114.808","0.003","90","","1041.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu N12 -","- C16 H24 Cl2 Cu N12 -","- C32 H48 Cl4 Cu2 N24 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.71073","MoKα","","0.0331","0.0305","","","0.0784","0.0799","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215386","9.565","0.002","8.5582","0.0019","9.4197","0.0017","90","","106.288","0.005","90","","740.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N8 S2 -","- C10 H12 Cu N8 S2 -","- C20 H24 Cu2 N16 S4 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0285","0.027","","","0.0748","0.076","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215387","13.143","0.002","17.513","0.003","25.348","0.004","90","","90","","90","","5834.4","1.6","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.98 -","- C128 H224 Cl16 Cu8 N96 O79.84 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0554","0.0539","","","0.1541","0.1555","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215388","12.887","0.002","17.043","0.003","24.799","0.004","90","","90","","90","","5446.7","1.6","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cu N14 O8 -","- C16 H28 Cu N14 O8 -","- C128 H224 Cu8 N112 O64 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0758","0.0726","","","0.2078","0.2107","","","","","","1.315","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215389","16.103","0.004","8.6062","0.0019","13.525","0.003","90","","112.305","0.005","90","","1734.1","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N6 O4 -","- C16 H16 Cu N6 O4 -","- C64 H64 Cu4 N24 O16 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0378","0.0335","","","0.0892","0.0924","","","","","","1.02","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215390","7.5798","0.0009","8.7849","0.0001","19.056","0.003","94.154","0.011","96.89","","112.58","0.008","1153.4","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.5 Cu2 N6 O12.5 -","- C19 H24 Cu2 N6 O12.5 -","- C38 H48 Cu4 N12 O25 -","2","1","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0649","0.0483","","","0.12","0.1315","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215391","33.747","0.007","12.808","0.003","14.155","0.003","90","","102.27","0.03","90","","5978","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Fe5 N3 O24 -","- C41 H40 Fe5 N3 O24 -","- C164 H160 Fe20 N12 O96 -","4","0.5","","Li, Yun-Wu; Zhao, Jiong-Peng; Wang, Li-Fu; Bu, Xian-He","An Fe-based MOF constructed from paddle-wheel and rod-shaped SBUs involved in situ generated acetate","CrystEngComm","2011","13","20","6002","","10.1039/c1ce05470h","","","0.71073","MoKα","","0.0992","0.0717","","","0.1679","0.1829","","","","","","1.023","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215392","7.3135","0.0004","7.3135","0.0004","16.4964","0.0019","90","","90","","120","","764.14","0.11","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C30 H24 N12 S3 -","3","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0334","0.0322","","","0.0855","0.0871","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215393","6.969","0.003","7.073","0.003","9.075","0.004","92.827","0.005","106.248","0.004","99.958","0.006","420.7","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0839","0.0726","","","0.1721","0.1822","","","","","","0.904","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215394","23.8364","0.0008","23.8364","0.0008","26.589","0.002","90","","90","","120","","13083.2","1.2","291","2","291","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C432 H324 Cl36 N108 O150 S36 Zn18 -","6","0.166667","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0647","0.0407","","","0.1004","0.1071","","","","","","0.935","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215395","8.1844","0.0004","9.6968","0.0005","15.7097","0.0008","90","","104.448","0.001","90","","1207.33","0.11","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd Cl2 N6 S2 -","- C24 H18 Cd Cl2 N6 S2 -","- C48 H36 Cd2 Cl4 N12 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0268","0.0215","","","0.0473","0.049","","","","","","0.944","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215396","9.0358","0.001","15.9866","0.0017","12.5425","0.0016","90","","116.04","0.001","90","","1627.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N10 O10 S2 Zn -","- C24 H32 N10 O10 S2 Zn -","- C48 H64 N20 O20 S4 Zn2 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0376","0.0288","","","0.0672","0.0698","","","","","","0.953","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215397","9.0887","0.0008","16.3768","0.0015","12.6796","0.0014","90","","116.015","0.001","90","","1696.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cd N10 O10 S2 -","- C24 H32 Cd N10 O10 S2 -","- C48 H64 Cd2 N20 O20 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0478","0.0312","","","0.0529","0.0561","","","","","","0.845","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215398","24.0813","0.0015","16.5778","0.0007","28.3107","0.0018","90","","100.055","0.003","90","","11128.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H99 N6 O25.5 Pr2 S6 -","- C120 H84 N6 O25.5 Pr2 S6 -","- C480 H336 N24 O102 Pr8 S24 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0892","0.0636","","","0.1462","0.1656","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215399","10.842","0.003","11.194","0.003","14.953","0.005","93.155","0.003","96.372","0.003","102.207","0.006","1757","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Mn N2 O7 S2 -","- C40 H30 Mn N2 O7 S2 -","- C80 H60 Mn2 N4 O14 S4 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0509","0.0417","","","0.1147","0.1233","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215400","32.782","0.002","16.6144","0.0013","17.8662","0.0013","90","","90","","90","","9730.9","1.2","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C95 H91 Cd4 N9 O25 -","- C95 H91 Cd4 N9 O25 -","- C380 H364 Cd16 N36 O100 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand","CrystEngComm","2011","13","20","6010","","10.1039/c1ce05888f","","","0.71073","MoKα","","0.1005","0.0606","","","0.1374","0.1462","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215401","11.1225","0.0017","6.2139","0.001","15.089","0.002","90","","94.651","0.002","90","","1039.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Na2 O20 S2 Zn3 -","- C8 H16 Na2 O20 S2 Zn3 -","- C16 H32 Na4 O40 S4 Zn6 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.0398","0.0285","","","0.0664","0.072","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215402","10.0335","0.0017","16.02","0.003","12.195","0.002","90","","101.566","0.002","90","","1920.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Na8 O35 S4 Zn2 -","- C16 H12 Na8 O35 S4 Zn2 -","- C32 H24 Na16 O70 S8 Zn4 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.1077","0.0526","","","0.1055","0.1228","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215403","12.1286","0.0013","12.9525","0.0013","20.782","0.002","90","","90","","90","","3264.8","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N2 O7.5 P2 Zn -","- C12 H15 N2 O7.5 P2 Zn -","- C96 H120 N16 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0578","0.0368","","","0.0787","0.0881","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215404","8.1777","0.0009","10.4708","0.0012","11.0725","0.0013","112.385","0.001","101.403","0.001","90.107","0.001","856.24","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 O8 P2 Zn -","- C14 H16 N2 O8 P2 Zn -","- C28 H32 N4 O16 P4 Zn2 -","2","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0507","0.0395","","","0.0954","0.1017","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215405","7.5131","0.0007","18.2935","0.0018","18.7247","0.0018","90","","90","","90","","2573.5","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H9.5 N O7.5 P2 Zn -","- C8 H9.5 N O7.5 P2 Zn -","- C64 H76 N8 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0351","0.0288","","","0.0769","0.0805","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215406","13.7837","0.0018","7.1911","0.001","16.257","0.002","90","","96.81","0.002","90","","1600","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 P2 Zn -","- C14 H14 N2 O7 P2 Zn -","- C56 H56 N8 O28 P8 Zn4 -","4","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0565","0.0382","","","0.084","0.0906","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215407","17.57","0.02","15.185","0.007","13.384","0.008","90","","118.595","0.006","90","","3135","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu3 I2 N5 -","- C12 H8 Cu3 I2 N5 -","- C96 H64 Cu24 I16 N40 -","8","1","","Fang, Zhen-Lan; He, Jian-Gang; Yu, Rong-Min; Wu, Xiao-Yuan; Lu, Can-Zhong","One novel complex obtained through copper-mediated conversion of 2,5-bis(3-pyridyl)-1,3,4-oxadiazole: structure, in situ formation of ligand, and luminescence properties","CrystEngComm","2011","13","20","6243","","10.1039/c1ce05440f","","","0.71073","MoKα","","0.0687","0.0596","","","0.1602","0.1699","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215408","24.61","0.005","18.555","0.004","8.2379","0.0016","90","","96.896","0.003","90","","3734.5","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N6 Ni O13 Pd -","- C24 H34 N6 Ni O12 Pd -","- C96 H136 N24 Ni4 O48 Pd4 -","4","0.5","","Huang, Sheng-Li; Jin, Guo-Xin","Selective CO2 capture by a 3d‒4d coordination polymer material with 1D channel","CrystEngComm","2011","13","20","6013","","10.1039/c1ce05474k","","","0.71073","MoKα","","0.1114","0.0571","","","0.1386","0.1545","","","","","","0.969","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215409","25.379","0.003","17.642","0.004","16.484","0.005","90","","90","","90","","7380","3","300","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H33 N2 Ni O6 S10 -","- C26 H33 N2 Ni O6 S10 -","- C208 H264 N16 Ni8 O48 S80 -","8","1","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","","0.049","","","","0.1361","","","","","","1.043","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215410","16.075","0.003","25.415","0.004","35.366","0.005","90","","90","","90","","14449","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N2 Ni O6 S10 -","- C26 H31 N2 Ni O6 S10 -","- C416 H496 N32 Ni16 O96 S160 -","16","4","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","0.1118","0.058","","","0.1154","0.1393","","","","","","0.924","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215411","24.303","0.01","10.137","0.004","18.744","0.013","90","","125.506","0.004","90","","3759","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cl6 N4 O6 Zn -","- C38 H26 Cl6 N4 O6 Zn -","- C152 H104 Cl24 N16 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π–π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1148","0.0504","","","0.1091","0.1415","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215412","10.9481","0.0008","13.2205","0.0009","13.9222","0.0016","106.761","0.003","102.853","0.003","108.249","0.002","1720.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","1","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π–π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0436","0.0299","","","0.0681","0.0719","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215413","8.3392","0.0008","10.52","0.001","11.0835","0.0011","71.219","0.002","79.807","0.002","75.307","0.002","885.63","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl3 N2 O4 Zn -","- C15 H12 Cl3 N2 O4 Zn -","- C30 H24 Cl6 N4 O8 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0484","0.0385","","","0.1093","0.1156","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215414","20.5213","0.0011","9.4618","0.0005","16.9888","0.0009","90","","126.518","0.002","90","","2651.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl6 N2 O6 Zn -","- C24 H12 Cl6 N2 O6 Zn -","- C96 H48 Cl24 N8 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0705","0.0436","","","0.1002","0.1178","","","","","","1.09","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215415","14.4957","0.0005","8.8235","0.0003","23.1793","0.0008","90","","96.808","0.001","90","","2943.79","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl6 N2 O6 Zn -","- C27 H18 Cl6 N2 O6 Zn -","- C108 H72 Cl24 N8 O24 Zn4 -","4","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0395","","","0.0892","0.0972","","","","","","1.056","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215416","11.8373","0.0008","13.5119","0.0009","18.5484","0.0013","90","","106.514","0.002","90","","2844.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Cl12 N4 O12 Zn2 -","- C54 H35 Cl12 N4 O12 Zn2 -","- C108 H70 Cl24 N8 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1062","0.0635","","","0.1559","0.1817","","","","","","1.026","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215417","13.6683","0.0005","13.6285","0.0005","15.1486","0.0006","90","","101.217","0.001","90","","2767.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl12 N4 O14 Zn2 -","- C52 H30 Cl12 N4 O14 Zn2 -","- C104 H60 Cl24 N8 O28 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0648","0.0428","","","0.0918","0.0997","","","","","","1.032","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215418","8.2531","0.0007","10.6582","0.001","12.4388","0.0011","73.757","0.002","73.122","0.002","76.445","0.002","991.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Cl3 N2 O3 Zn -","- C17 H9 Cl3 N2 O3 Zn -","- C34 H18 Cl6 N4 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.037","0.0312","","","0.0765","0.0789","","","","","","1.054","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215419","9.1994","0.0006","10.5683","0.0007","13.8477","0.0009","80.486","0.002","78.545","0.002","65.856","0.002","1198.73","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 N3 O3 Zn -","- C25 H16 Cl3 N3 O3 Zn -","- C50 H32 Cl6 N6 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.048","0.0396","","","0.0971","0.1004","","","","","","1.071","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215420","9.194","0.0004","10.532","0.0005","13.8552","0.0006","80.603","0.002","78.29","0.002","65.975","0.001","1195","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 Co N3 O3 -","- C25 H16 Cl3 Co N3 O3 -","- C50 H32 Cl6 Co2 N6 O6 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0459","","","0.1113","0.1157","","","","","","1.041","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215421","9.8694","0.0003","10.1833","0.0003","13.5295","0.0004","92.154","0.001","103.146","0.001","104.038","0.001","1278.37","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cl3 N4 Ni O6 -","- C25 H17 Cl3 N4 Ni O6 -","- C50 H34 Cl6 N8 Ni2 O12 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0526","0.0363","","","0.0764","0.0826","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215422","7.129","0.0003","12.148","0.0012","17.76","0.0013","90","","101.58","0.003","90","","1506.8","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H12 N2 O10 Zn -","- C48 H48 N8 O40 Zn4 -","4","1","","Wang, Kuaibing; Yin, Yuxin; Li, Chengying; Geng, Zhirong; Wang, Zhilin","Facile synthesis of zinc(ii)-carboxylate coordination polymer particles and their luminescent, biocompatible and antibacterial properties","CrystEngComm","2011","13","20","6231","","10.1039/c1ce05705g","","","0.71073","MoKα","","0.0672","0.052","","","0.1135","0.1169","","","","","","1.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215423","16.533","0.004","16.533","0.004","14.654","0.005","90","","90","","120","","3468.9","1.7","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C21 H31 N6 O4.5 -","- C21 H31 N6 O4.5 -","- C126 H186 N36 O27 -","6","1","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.0797","0.0412","","","0.0803","0.091","","","","","","0.997","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215424","12.094","0.004","12.534","0.004","18.268","0.006","75.307","0.004","71.083","0.005","78.421","0.005","2512.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N6 O4.25 -","- C23 H34 N6 O4.25 -","- C92 H136 N24 O17 -","4","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.136","0.0725","","","0.1998","0.2306","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215425","10.579","0.002","19.247","0.004","30.125","0.006","90","","94.26","0.03","90","","6117","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 N6 O6 -","- C29 H46 N6 O6 -","- C232 H368 N48 O48 -","8","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.2043","0.0997","","","0.1681","0.1999","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215426","17.69","0.003","18.545","0.004","22.889","0.005","71.7","0.03","82.55","0.03","77.24","0.03","6938","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 O6 -","- C33 H54 N6 O6 -","- C264 H432 N48 O48 -","8","4","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.084","0.0643","","","0.1553","0.1737","","","","","","0.917","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215427","13.8265","0.0008","14.2642","0.0008","25.1428","0.0014","90","","92.711","0.002","90","","4953.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl K2 N21 O33 -","- C30 H34 Cl K2 N21 O33 -","- C120 H136 Cl4 K8 N84 O132 -","4","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.0852","0.0764","","","0.2185","0.2276","","","","","","1.094","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215428","11.4458","0.0006","12.4198","0.0007","19.5596","0.0011","77.185","0.002","81.055","0.002","77.905","0.002","2633.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H52 Cl N20 O35 Rb3 S -","- C30 H38 Cl N20 O35 Rb3 S -","- C60 H76 Cl2 N40 O70 Rb6 S2 -","2","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1108","0.0937","","","0.2821","0.3013","","","","","","1.035","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215429","15.618","0.004","14.081","0.004","21.4","0.006","90","","100.475","0.003","90","","4628","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cs2 N20 O29 S -","- C30 H34 Cs2 N20 O29 S -","- C120 H136 Cs8 N80 O116 S4 -","4","0.5","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1012","0.0982","","","0.2481","0.2497","","","","","","1.248","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215430","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.058","0.0459","","","0.1113","0.1209","","","","","","1.005","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215431","8.765","0.0013","11.6593","0.0017","11.9268","0.0018","77.744","0.002","76.47","0.002","76.133","0.002","1134.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0521","0.0449","","","0.0983","0.1012","","","","","","1.197","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215432","21.6736","0.0011","9.4185","0.0005","17.5251","0.0009","90","","109.379","0.001","90","","3374.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag La N2 O9 -","- C14 H10 Ag La N2 O9 -","- C112 H80 Ag8 La8 N16 O72 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0352","0.0266","","","0.0544","0.0581","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215433","8.7942","0.0015","11.6555","0.0019","11.946","0.002","77.532","0.002","76.519","0.002","76.058","0.002","1139","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0626","0.0563","","","0.1334","0.1366","","","","","","1.146","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215434","7.1755","0.0007","11.4346","0.0012","18.3179","0.0019","86.188","0.001","78.88","0.001","73.573","0.001","1414.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0588","0.0388","","","0.0681","0.0768","","","","","","1.016","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215435","21.893","0.004","9.2903","0.0017","17.243","0.003","90","","108.622","0.002","90","","3323.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Tm -","- C14 H10 Ag N2 O9 Tm -","- C112 H80 Ag8 N16 O72 Tm8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.059","0.0499","","","0.1334","0.1394","","","","","","1.027","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215436","21.814","0.002","9.3193","0.0008","17.3133","0.0016","90","","108.9","0.001","90","","3329.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Pr -","- C14 H10 Ag N2 O9 Pr -","- C112 H80 Ag8 N16 O72 Pr8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0491","0.0328","","","0.0599","0.066","","","","","","1.006","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215437","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0925","0.0558","","","0.1107","0.129","","","","","","0.972","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215438","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0581","0.0405","","","0.0812","0.0906","","","","","","1.029","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215439","9.0533","0.0015","18.467","0.003","4.6354","0.001","90","","90","","90","","775","0.2","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Br4 Cd4 Hg4 S4 -","- Br4 Cd4 Hg4 S4 -","- Br8 Cd8 Hg8 S8 -","2","0.125","","Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong","Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br","CrystEngComm","2011","13","11","3862","","10.1039/c1ce05047h","","","0.71073","MoKα","","0.0624","0.0537","","","0.1566","0.1615","","","","","","1.001","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215440","12.4787","0.0004","15.7475","0.0006","17.5342","0.0009","94.783","0.004","91.032","0.004","101.706","0.003","3360","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H60.5 N14 Ni2 O13.25 -","- C70 H52 N14 Ni2 O13.25 -","- C140 H104 N28 Ni4 O26.5 -","2","1","","Wu, Hua; Liu, Bo; Yang, Jin; Liu, Hai-Yan; Ma, Jian-Fang","A new type of entangled motif: from 2D polyrotaxane layers to a 3D polythreaded framework","CrystEngComm","2011","13","11","3661","","10.1039/c1ce05379e","","","0.71073","MoKα","","0.1156","0.0581","","","0.1364","0.151","","","","","","0.872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215441","28.4879","0.0005","32.7675","0.0006","7.999","0.0001","90","","90","","90","","7466.9","0.2","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis(N,N-dimethylselenourea)trichloro antimony hemiacetone","","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C120 H304 Cl48 N64 O8 Sb16 Se32 -","16","1","","Maiti, Nilkamal; Im, Sang Hyuk; Lee, Yong Hui; Kim, Chong-Hyeak; Seok, Sang Il","Solvent-assisted growth of Sb2Se3 nanocompounds from a single-source precursor under mild reaction conditions","CrystEngComm","2011","13","11","3767","","10.1039/c1ce05032j","","","0.71073","MoKα","","0.024","0.0202","","","0.0433","0.0441","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7215442","11.3326","0.0014","12.7665","0.0012","13.3078","0.0012","93.603","0.006","113.622","0.001","91.911","0.002","1756.9","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N2 O6 P S -","- C36 H42 N2 O6 P S -","- C72 H84 N4 O12 P2 S2 -","2","1","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0684","","","","0.0693","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215443","59.415","0.004","6.3283","0.0003","14.901","0.0007","90","","102.242","0.0014","90","","5475.3","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 N4 O10 S14 -","- C42 H52 N4 O10 S14 -","- C168 H208 N16 O40 S56 -","4","0.5","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0645","","","","0.0587","","","","","","1.204","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215444","10.377","0.002","9.509","0.002","15.331","0.003","90","","92.624","0.005","90","","1511.2","0.5","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 P Se -","- C18 H13 P Se -","- C72 H52 P4 Se4 -","4","1","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71075","MoKα","","0.0321","0.0277","","","0.0658","0.0679","","","","","","1.056","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215445","10.32","0.002","9.3942","0.0015","15.135","0.002","90","","92.101","0.004","90","","1466.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 P2 S Se -","- C36 H26 P2 S Se -","- C72 H52 P4 S2 Se2 -","2","0.5","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71074","MoKα","","0.024","0.0232","","","0.0587","0.0592","","","","","","1.059","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215446","15.4845","0.0004","20.3081","0.0006","27.13","0.0008","90","","98.873","0.002","90","","8429.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96.3 Cl N32 O34.15 -","- C56 H59 N32 O34.15 -","- C224 H236 N128 O136.6 -","4","1","","Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.","Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state","CrystEngComm","2011","13","9","3241","","10.1039/c0ce00504e","","","1.54178","CuKα","","0.1282","0.1068","","","0.2896","0.3108","","","","","","1.222","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215448","12.9727","0.0002","12.9727","0.0002","12.9727","0.0002","90","","90","","90","","2183.19","0.06","300","","300","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- Al0.196 La3 Li6.06 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li7La3Zr2O12"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.42","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222309","3.82665","","3.82665","","11.5341","","90","","90","","90","","168.897","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Ho Cu2 O8","","- Cu2 Ho O8 Ru Sr2 -","- Cu2 Ho O8 Ru Sr2 -","- Cu2 Ho O8 Ru Sr2 -","1","0.0625","","Aguirre, M.H.; Ruiz-Bustos, R.; Alario-Franco, M.A.","Crystal structure and microdomain texture in Ru Sr2 Ho Cu2 O8","Journal of Materials Chemistry","2003","13","","1156","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222311","3.9657","","3.9657","","3.9657","","90","","90","","90","","62.368","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Sr (Fe0.45 Ga0.05 Ta0.5) O3","","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","1","0.0208333","","Cussen, E.J.; Battle, P.D.","The influence of structural disorder on the magnetic properties of Sr2 Fe1-x Gax Ta O6 (0 <= x <= 1)","Journal of Materials Chemistry","2003","13","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222312","7.89232","","7.89232","","7.89232","","90","","90","","90","","491.602","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 (Ga Ta O6)","","- Ga O6 Sr2 Ta -","- Ga O6 Sr2 Ta -","- Ga4 O24 Sr8 Ta4 -","4","0.0208333","","Cussen, E.J.; Battle, P.D.","The influence of structural disorder on the magnetic properties of Sr2 Fe1-x Gax Ta O6 (0 <= x <= 1)","Journal of Materials Chemistry","2003","13","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222314","6.3881","","6.3881","","16.608","","90","","90","","90","","677.736","","","","","","","","","","","","","6","I 41","I 4bw","80","","V2 ((N H3) C2 H4 (N H2)) (H P O4)4 (H2 O)","","- C2 H15 N2 O17 P4 V2 -","- C2 N2 O17 P4 V2 -","- C4 N4 O34 P8 V4 -","2","0.25","","Calin, N.; Serre, C.; Sevov, S.C.","V(III) V(IV) (H P O4)4 * enH * (H2 O): a mixed-valence vanadium phosphate with an open framework","Journal of Materials Chemistry","2003","13","","531","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","158812","2020-10-21","18:00:00",""
"7222336","5.71167","","5.71167","","14.0768","","90","","90","","120","","397.705","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.2 Fe0.8) O2.932","","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba6 Fe4.8 Ir1.2 O17.592 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Kilcoyne, S.; Sloan, J.; Manuel, P.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222337","5.74145","","5.74145","","14.2308","","90","","90","","120","","406.259","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.575 Fe0.425 O3)","","- Ba Fe0.425 Ir0.575 O3 -","- Ba Fe0.425 Ir0.575 O3 -","- Ba6 Fe2.55 Ir3.45 O18 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Manuel, P.; Sloan, J.; Kilcoyne, S.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222338","5.73047","","5.73047","","35.5495","","90","","90","","120","","1010.98","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.27 Fe0.73 O2.95)","","- Ba Fe0.73 Ir0.27 O2.95 -","- Ba Fe0.7296 Ir0.2704 O2.9508 -","- Ba15 Fe10.944 Ir4.056 O44.262 -","15","0.416667","","Jordan, N.A.; Battle, P.D.; Sloan, J.; Kilcoyne, S.; Manuel, P.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222339","5.69926","","5.69926","","21.2778","","90","","90","","120","","598.542","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.3 Mn0.7 O3)","","- Ba Ir0.3 Mn0.7 O3 -","- Ba Ir0.3 Mn0.7 O3 -","- Ba9 Ir2.7 Mn6.3 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222340","5.71037","","5.71037","","21.4005","","90","","90","","120","","604.342","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.4 Mn0.6 O3)","","- Ba Ir0.4 Mn0.6 O3 -","- Ba Ir0.399667 Mn0.600333 O3 -","- Ba9 Ir3.597 Mn5.403 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222341","5.72021","","5.72021","","21.5196","","90","","90","","120","","609.802","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.5 Mn0.5 O3)","","- Ba Ir0.5 Mn0.5 O3 -","- Ba Ir0.5 Mn0.5 O3 -","- Ba9 Ir4.5 Mn4.5 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222342","5.5662","","7.5446","","5.232","","90","","90","","90","","219.717","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb V O3","","- O3 V Yb -","- O3 V Yb -","- O12 V4 Yb4 -","4","0.5","","Munoz, A.; Alonso, J.A.; Casais, M.T.; Martinez-Lope, M.J.; Martinez, J.L.; Fernandez-Diaz, M.T.","Structural and magnetic transition in Yb V O3: a neutron diffraction study","Journal of Materials Chemistry","2003","13","","1234","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222388","10.382","","10.382","","10.382","","90","","90","","90","","1119.03","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Pb2 (Fe Re O6.1)","","- Fe O6.1 Pb2 Re -","- Fe O6.1 Pb2 Re -","- Fe8 O48.8 Pb16 Re8 -","8","0.0416667","","Ramesha, K.; Eichhorn, B.; Sebastian, L.; Gopalakrishnan, J.","Pb2 Fe Re O6: new defect pyrochlore oxide with a geometrically frustrated Fe/Re sublattice","Journal of Materials Chemistry","2003","13","","2011","2014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222391","5.997","","5.997","","9.659","","90","","90","","120","","300.837","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Sr Y (Si4 N7)","","- N7 Si4 Sr Y -","- N7 Si4 Sr Y -","- N14 Si8 Sr2 Y2 -","2","0.166667","","Fang, C.M.; Li, Y.Q.; Hintzen, H.T.; de With, G.","Crystal and electronic structure of the novel nitrides M Y Si4 N7 (M= Sr, Ba) with peculiar N Si4 coordination","Journal of Materials Chemistry","2003","13","","1480","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222392","6.021","","6.021","","9.803","","90","","90","","120","","307.77","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba Y (Si4 N7)","","- Ba N7 Si4 Y -","- Ba N7 Si4 Y -","- Ba2 N14 Si8 Y2 -","2","0.166667","","Fang, C.M.; de With, G.; Li, Y.Q.; Hintzen, H.T.","Crystal and electronic structure of the novel nitrides M Y Si4 N7 (M= Sr, Ba) with peculiar N Si4 coordination","Journal of Materials Chemistry","2003","13","","1480","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222393","3.86107","","3.86107","","12.42856","","90","","90","","90","","185.283","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr1.2 Nd0.8) (Mn0.6 Rh0.4) O4","","- Mn0.6 Nd0.8 O4 Rh0.4 Sr1.2 -","- Mn0.6 Nd0.8 O4 Rh0.4 Sr1.2 -","- Mn1.2 Nd1.6 O8 Rh0.8 Sr2.4 -","2","0.0625","","Gallon, D.J.; Battle, P.D.; Rosseinsky, M.J.; Blundell, S.J.; Coldea, A.I.; Steer, C.","Synthesis and characterization of Sr1.2 Nd0.8 Mn0.6 Rh0.4 O4","Journal of Materials Chemistry","2003","13","","1166","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","159315","2020-10-21","18:00:00",""
"7222394","10.227","","6.0048","","4.6918","","90","","90","","90","","288.129","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Gallardo Amores, J.M.; Alvarez-Vega, M.; Sanjuan, M.L.; Garcia-Jaca, J.; Garcia-Alvarado, F.; Amador, U.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222395","5.523","","8.2565","","6.1583","","90","","90","","90","","280.822","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Garcia-Alvarado, F.; Alvarez-Vega, M.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Amador, U.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222396","5.358","","8.1272","","6.1241","","90","","90","","90","","266.677","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Ni (P O4)","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Alvarez-Vega, M.; Amador, U.; Garcia-Alvarado, F.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222412","5.1057","","5.8545","","5.1062","","90","","110.039","","90","","143.391","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Li2.81 Ru0.04 (Ru O4)","","- Li2.81 O4 Ru1.04 -","- Li2.808 O4 Ru1.039 -","- Li5.616 O8 Ru2.078 -","2","0.5","","Alexander, A.; Grey, C.P.; Burley, J.C.; Battle, P.D.; Gallon, D.J.; Kim Sang-Hwan","Structural and magnetic properties of Li3 Ru O4","Journal of Materials Chemistry","2003","13","","2612","2616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222413","8.2028","","8.2028","","8.2028","","90","","90","","90","","551.933","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 S2","","- Be6 Fe8 O24 S2 Si6 -","- Be6 Fe8 O24 S2 Si6 -","- Be6 Fe8 O24 S2 Si6 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159779","2020-10-21","18:00:00",""
"7222414","8.2838","","8.2838","","8.2838","","90","","90","","90","","568.445","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 Se2","","- Be6 Fe8 O24 Se2 Si6 -","- Be6 Fe8 O24 Se2 Si6 -","- Be6 Fe8 O24 Se2 Si6 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Marco, J.F.; Neumann, K.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159783","2020-10-21","18:00:00",""
"7222415","8.3685","","8.3685","","8.3685","","90","","90","","90","","586.061","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 Te2","","- Be6 Fe8 O24 Si6 Te2 -","- Be6 Fe8 O24 Si6 Te2 -","- Be6 Fe8 O24 Si6 Te2 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159787","2020-10-21","18:00:00",""
"7222433","5.75961","","5.7787","","8.14843","","90","","90.325","","90","","271.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 Y (Ru0.85 Cu0.15 O6)","","- Cu0.15 O6 Ru0.85 Sr2 Y -","- Cu0.15 O6 Ru0.85 Sr2 Y -","- Cu0.3 O12 Ru1.7 Sr4 Y2 -","2","0.5","","Parkinson, N.G.; Wu Mawkuen; Hatton, P.D.; Howard, J.A.K.; Ritter, C.; Chien Fan, Z.","Crystal and magnetic structures of A2 Y Ru1-x Cux O6 with A = Sr, Ba and x = 0.05 to 0.15","Journal of Materials Chemistry","2003","13","","1468","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222434","8.31696","","8.31696","","8.31696","","90","","90","","90","","575.299","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba2 Y (Ru0.9 Cu0.1 O6)","","- Ba2 Cu0.1 O6 Ru0.9 Y -","- Ba2 Cu0.1 O6 Ru0.9 Y -","- Ba8 Cu0.4 O24 Ru3.6 Y4 -","4","0.0208333","","Parkinson, N.G.; Hatton, P.D.; Howard, J.A.K.; Chien Fan, Z.; Ritter, C.; Wu Mawkuen","Crystal and magnetic structures of A2 Y Ru1-x Cux O6 with A = Sr, Ba and x = 0.05 to 0.15","Journal of Materials Chemistry","2003","13","","1468","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222435","2.88467","","2.88467","","14.25943","","90","","90","","120","","102.76","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.9312 Ni0.0688) (Li0.0688 Ni0.6312 Mn0.3) O2","","- Li Mn0.3 Ni0.7 O2 -","- Li Mn0.3 Ni0.7 O2 -","- Li3 Mn0.9 Ni2.1 O6 -","3","0.0833333","","Kobayashi, H.; Sakaebe, H.; Kageyama, H.; Tatsumi, K.; Arachi, Y.; Kamiyama, T.","Changes in the structure and physical properties of the solid solution Li Ni1-x Mnx O2 with variation in its composition","Journal of Materials Chemistry","2003","13","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222436","2.89166","","2.89166","","14.28997","","90","","90","","120","","103.48","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.9034 Ni0.0966) (Li0.0966 Ni0.5034 Mn0.4) O2","","- Li Mn0.4 Ni0.6 O2 -","- Li Mn0.4 Ni0.6 O2 -","- Li3 Mn1.2 Ni1.8 O6 -","3","0.0833333","","Kobayashi, H.; Kageyama, H.; Sakaebe, H.; Tatsumi, K.; Arachi, Y.; Kamiyama, T.","Changes in the structure and physical properties of the solid solution Li Ni1-x Mnx O2 with variation in its composition","Journal of Materials Chemistry","2003","13","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7238343","19.824","0.004","6.8479","0.0014","19.765","0.004","90","","117.16","0.03","90","","2387.3","1.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 Mn3 N2 O21 -","- C16 H22 Mn3 N2 O21 -","- C64 H88 Mn12 N8 O84 -","4","1","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0346","0.027","","","0.0578","0.0685","","","","","","1.11","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238344","15.9192","0.0006","5.9225","0.0003","18.5992","0.0008","90","","90","","90","","1753.56","0.13","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co3 N2 O14 -","- C16 H8 Co3 N2 O14 -","- C64 H32 Co12 N8 O56 -","4","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0396","0.0259","","","0.0573","0.0589","","","","","","0.886","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238345","8.092","0.0016","8.998","0.0018","10.884","0.002","81.53","0.03","71.23","0.03","82.8","0.03","739.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","1","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0507","0.0424","","","0.112","0.1224","","","","","","1.106","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238346","10.078","0.0002","16.9209","0.0003","20.2287","0.0004","90","","90","","90","","3449.58","0.11","200","2","200","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C12 H19 Co3 O11 P3 -","- C12 H15 Co3 O11 P3 -","- C96 H120 Co24 O88 P24 -","8","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0774","0.0486","","","0.1397","0.1739","","","","","","1.185","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238347","8.8381","0.0005","9.0763","0.0005","12.3127","0.0008","95.218","0.002","101.701","0.002","111.775","0.002","883.03","0.09","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H21 Cu2 O11 P3 -","- C12 H17 Cu2 O11 P3 -","- C24 H34 Cu4 O22 P6 -","2","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0426","0.0332","","","0.0794","0.0839","","","","","","1.044","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238348","4.8218","0.0002","19.8911","0.001","18.295","0.0008","90","","95.077","0.002","90","","1747.81","0.14","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18.2 Cu3 O13.6 P3 -","- C9 H15 Cu3 O13.6 P3 -","- C36 H60 Cu12 O54.4 P12 -","4","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0589","0.0395","","","0.0848","0.0956","","","","","","1.024","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238349","10.585","0.011","5.881","0.006","10.311","0.009","90","","107.9","0.02","90","","610.8","1","370","2","370","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","1","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.6889","synchrotron","","0.0594","0.0494","","","0.1475","0.1575","","","","","","1.074","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238350","10.4368","0.0008","5.8004","0.0004","10.1922","0.0007","90","","107.561","0.001","90","","588.26","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","2","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.68933","synchrotron","","0.044","0.0432","","","0.121","0.1218","","","","","","1.072","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238351","16.147","0.003","16.147","0.003","16.624","0.004","90","","90","","120","","3753.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H40 N2 O12 Zn3 -","- C57.9 H39.9 N1.98 O12 Zn3 -","- C173.7 H119.7 N5.94 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1181","0.0448","","","0.0488","0.0551","","","","","","0.8","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238352","16.117","0.003","16.117","0.003","18.073","0.005","90","","90","","120","","4065.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H38 N2 O12 Zn3 -","- C57.9 H37.92 N2 O12 Zn3 -","- C173.7 H113.76 N6 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.0682","0.0407","","","0.0871","0.0946","","","","","","0.873","","","","has coordinates","244126","2020-10-21","18:00:00",""
"7238353","16.1001","0.0006","16.1001","0.0006","40.628","0.003","90","","90","","120","","9120.4","0.8","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H48 N2 O15 Zn3 -","- C59.88 H41.88 N1.99333 O12 Zn3 -","- C359.28 H251.28 N11.96 O72 Zn18 -","6","0.5","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1392","0.0537","","","0.1416","0.1616","","","","","","0.867","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238354","11.476","0.002","26.337","0.005","16.155","0.003","90","","92.18","0.03","90","","4879.2","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 Cu F6 O P4 S -","- C55 H45 Cu F6 O P4 S -","- C220 H180 Cu4 F24 O4 P16 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0594","0.0581","","","0.1241","0.1248","","","","","","1.225","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238355","10.45","0.0014","19.688","0.004","13.83","0.002","90","","90.245","0.011","90","","2845.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cu F6 N2 P2 S -","- C29 H25 Cu F6 N2 P2 S -","- C116 H100 Cu4 F24 N8 P8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0365","0.0341","","","0.0826","0.084","","","","","","1.071","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238356","8.9997","0.0016","11.507","0.002","16.728","0.004","78.417","0.016","86.517","0.016","78.32","0.015","1661.6","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C64 H54 Cl4 Cu2 F12 N4 P4 S2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0456","0.0365","","","0.0745","0.0776","","","","","","1.126","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238357","12.137","0.002","13.453","0.002","13.9427","0.0019","97.305","0.012","110.279","0.012","114.695","0.011","1838.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cu F6 P3 S2 -","- C38 H34 Cu F6 P3 S2 -","- C76 H68 Cu2 F12 P6 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0293","0.0284","","","0.0741","0.0746","","","","","","1.069","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238358","10.5396","0.001","12.2287","0.001","13.3195","0.0011","104.793","0.007","102.457","0.007","105.796","0.007","1520.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cu F6 N4 P -","- C34 H28 Cu F6 N4 P -","- C68 H56 Cu2 F12 N8 P2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0841","0.0863","","","","","","1.115","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238359","11.611","0.002","13.045","0.003","14.699","0.003","115.99","0.03","97.55","0.03","90.93","0.03","1977.1","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0454","0.043","","","0.1161","0.1179","","","","","","1.072","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238360","11.5635","0.0017","13.0399","0.0017","15.119","0.002","112.413","0.01","98.097","0.011","91.294","0.011","2079.3","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0615","0.0515","","","0.126","0.1316","","","","","","1.138","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238361","16.763","0.003","5.942","0.0012","30.238","0.006","90","","93.51","0.03","90","","3006.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0367","0.0328","","","0.0829","0.0854","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238362","9.1889","0.0014","9.3069","0.0014","9.5114","0.0014","71.087","0.002","78.189","0.002","79.218","0.002","746.78","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Tb -","- C2 H14 N O14 S3 Tb -","- C4 H28 N2 O28 S6 Tb2 -","2","1","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0287","0.0259","","","0.0796","0.0803","","","","","","1.474","","","","has coordinates","244128","2020-10-21","18:00:00",""
"7238363","20.6927","0.0015","36.783","0.003","10.1514","0.0008","90","","114.418","0.001","90","","7035.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 N9 O50 S12 Tb5 -","- C18 H64 N9 O50 S12 Tb5 -","- C72 H256 N36 O200 S48 Tb20 -","4","0.5","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0513","0.0456","","","0.1545","0.1599","","","","","","1.213","","","","has coordinates,has disorder","244128","2020-10-21","18:00:00",""
"7238364","9.657","0.006","12.577","0.008","13.693","0.009","70.382","0.007","85.214","0.007","73.171","0.007","1499.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N6 O7 Zn -","- C30 H27 N6 O7 Zn -","- C60 H54 N12 O14 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0388","0.0354","","","0.1152","0.1185","","","","","","1.039","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238365","7.785","0.002","9.037","0.002","17.055","0.004","102.021","0.003","96.298","0.003","100.567","0.003","1139.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O6 Zn -","- C24 H20 N4 O6 Zn -","- C48 H40 N8 O12 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0575","0.042","","","0.1058","0.1273","","","","","","1.057","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238366","20.92","0.003","9.4373","0.0013","22.981","0.003","90","","108.736","0.002","90","","4296.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 N8 O35 Zn6 -","- C76 H66 N8 O35 Zn6 -","- C152 H132 N16 O70 Zn12 -","2","0.25","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.1183","0.0768","","","0.2389","0.2692","","","","","","1.069","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238367","10.5883","0.001","20.2922","0.0019","24.9206","0.0019","90","","111.197","0.003","90","","4992.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H102 N24 O27 Zn6 -","- C96 H102 N24 O27 Zn6 -","- C192 H204 N48 O54 Zn12 -","2","0.5","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0863","0.0463","","","0.0878","0.1049","","","","","","1.018","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238368","10.0224","0.0008","19.0867","0.0015","17.2808","0.0011","90","","120.691","0.003","90","","2842.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C112 H120 N24 O24 Zn4 -","4","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0452","0.0357","","","0.0957","0.1027","","","","","","1.049","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238369","9.352","0.003","10.119","0.003","13.485","0.004","83.211","0.003","72.583","0.003","75.07","0.003","1175.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N4 O8 Zn2 -","- C23 H20 N4 O8 Zn2 -","- C46 H40 N8 O16 Zn4 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0647","0.0407","","","0.1112","0.135","","","","","","1.06","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238370","23.033","0.01","23.033","0.01","15.607","0.003","90","","90","","90","","8280","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H61 Mn Mo8 N16 O44 P V6 -","- C56 H56 Mn Mo8 N16 O44 P V6 -","- C224 H224 Mn4 Mo32 N64 O176 P4 V24 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0855","0.0609","","","0.1631","0.178","","","","","","1.07","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238371","22.921","0.003","22.921","0.003","15.642","0.003","90","","90","","90","","8218","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H60 Mo9 N16 O44 P V5 Zn -","- C56 H56 Mo9 N16 O44 P V5 Zn -","- C224 H224 Mo36 N64 O176 P4 V20 Zn4 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0392","0.0332","","","0.0839","0.0861","","","","","","1.05","","","","has coordinates,has disorder","244130","2020-10-21","18:00:00",""
"7238372","22.878","0.009","22.878","0.009","15.853","0.003","90","","90","","90","","8298","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H64 Cu Mo9 N16 O46 P V5 -","- C56 H56 Cu Mo9 N16 O46 P V5 -","- C224 H224 Cu4 Mo36 N64 O184 P4 V20 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0818","0.0534","","","0.1234","0.1369","","","","","","1.046","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238373","13.28","0.003","13.476","0.003","14.623","0.003","109.29","0.03","116.85","0.03","97.96","0.03","2071.2","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H64 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","1","0.5","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0717","0.0657","","","0.1639","0.1665","","","","","","1.074","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238374","12.051","0.002","15.155","0.003","15.989","0.006","90","","113.85","0.02","90","","2670.8","1.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","","- C12 H F15 O -","- C12 H F15 O -","- C96 H8 F120 O8 -","8","2","","Trapp, Nils; Scherer, Harald; Hayes, Stuart A.; Berger, Raphael J. F.; Kütt, Agnes; Mitzel, Norbert W.; Saame, Jaan; Krossing, Ingo","The perfluorinated alcohols (F5C6)(F3C)2COH and (F5C6)(F10C5)COH: synthesis, theoretical and acidity studies, spectroscopy and structures in the solid state and the gas phase.","Physical chemistry chemical physics : PCCP","2011","13","13","6184","6191","10.1039/c0cp02596h","","","0.71073","MoKα","","0.0666","0.0476","","","0.1112","0.1212","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238375","7.7752","0.0003","9.6284","0.0004","10.4511","0.0003","106.39","0.003","107.73","0.003","101.093","0.003","680.98","0.05","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H12 Cl2 N6 O -","- C11 H12 Cl2 N6 O -","- C22 H24 Cl4 N12 O2 -","2","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0587","0.0546","","","0.159","0.1628","","","","","","0.894","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238376","15.5808","0.001","9.689","0.0006","11.1057","0.0007","90","","91.312","0.003","90","","1676.1","0.18","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N5 O3 -","- C16 H13 Cl2 N5 O3 -","- C64 H52 Cl8 N20 O12 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0494","0.0371","","","0.0872","0.0913","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238377","7.0795","0.0003","17.7124","0.0007","15.9227","0.0007","90","","94.618","0.002","90","","1990.14","0.14","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N5 O6 -","- C15 H19 Cl2 N5 O6 -","- C60 H76 Cl8 N20 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0388","0.0301","","","0.0747","0.0775","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7242184","8.2933","0.0003","9.051","0.0003","9.0781","0.0003","97.574","0.002","96.833","0.002","111.473","0.002","618.18","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0275","0.0255","","","0.0751","0.0768","","","","","","1.056","","","","has coordinates","301870","2025-08-22","22:42:00",""
"7242185","8.6187","0.0004","8.9469","0.0004","9.1211","0.0004","94.987","0.002","111.423","0.002","97.27","0.002","642.69","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0191","0.0175","","","0.0478","0.0486","","","","","","1.055","","","","has coordinates","301870","2025-08-22","22:42:00",""
"7242186","8.6506","0.0003","9.2253","0.0003","14.1506","0.0004","90","","94.43","0.002","90","","1125.91","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe N6 S2 -","- C22 H16 Fe N6 S2 -","- C44 H32 Fe2 N12 S4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0438","0.0342","","","0.087","0.095","","","","","","1.035","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242187","17.053","0.008","10.562","0.005","18.44","0.009","90","","99.51","0.03","90","","3276","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl6 Fe N6 S2 -","- C24 H18 Cl6 Fe N6 S2 -","- C96 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0938","0.0623","","","0.1605","0.1892","","","","","","1.089","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242188","17.1155","0.0003","10.4757","0.0002","18.5942","0.0003","90","","98.979","0.001","90","","3293.03","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N6 S2 -","- C24 H18 Br6 Fe N6 S2 -","- C96 H72 Br24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0588","0.0477","","","0.1188","0.126","","","","","","1.071","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242189","9.8578","0.0013","12.8582","0.0015","13.1284","0.0016","90","","96.601","0.006","90","","1653","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl6 Fe N6 Se2 -","- C24 H18 Cl6 Fe N6 Se2 -","- C48 H36 Cl12 Fe2 N12 Se4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0593","0.0392","","","0.0927","0.1","","","","","","1.082","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242190","16.7183","0.001","11.0655","0.0006","11.7733","0.0007","90","","127.456","0.002","90","","1728.96","0.18","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H18 Br6 Fe N6 Se2 -","- C24 H18 Br6 Fe N6 Se2 -","- C48 H36 Br12 Fe2 N12 Se4 -","2","0.25","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0982","0.0625","","","0.158","0.1799","","","","","","1.041","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7246022","23.8272","0.0003","14.5493","0.0002","16.0514","0.0002","90","","125.095","0.001","90","","4552.89","0.12","170","0.11","170","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H47 Cl4 Co F2 N3 -","- C52 H47 Cl4 Co F2 N3 -","- C208 H188 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0523","0.0509","","","0.1403","0.1416","","","","","","1.041","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246023","24.2166","0.0003","14.6821","0.0002","16.4823","0.0002","90","","127.049","0.001","90","","4677.22","0.12","169.97","0.11","169.97","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H49 Cl4 Co F2 N3 -","- C53 H49 Cl4 Co F2 N3 -","- C212 H196 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0389","0.0379","","","0.1039","0.1046","","","","","","1.027","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246032","8.6139","0.0015","10.6283","0.0016","14.384","0.002","80.026","0.006","80.436","0.007","81.99","0.006","1270.6","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O8 -","- C31 H23 N O8 -","- C62 H46 N2 O16 -","2","1","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","","0.71073","MoKα","","0.1375","0.0564","","","0.1345","0.1941","","","","","","1.069","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246033","13.626","0.003","13.626","0.003","2.6598","0.0007","90","","90","","120","","427.68","0.17","293","","293","","65000000","1000000","","","","","synthetic","2","P -6 2 m","P -6 -2","189","Iron oxide","Iron oxide","","- Fe25 O32 -","- Fe25 O32 -","- Fe25 O32 -","1","0.0833333","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","x-ray","0.2885","synchrotron","","0.0559","0.051","","","0.0985","0.1004","","","","1.53","1.53","1.46","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246034","9.1201","0.0007","11.5487","0.0007","12.581","0.0008","93.498","0.002","96.303","0.003","100.317","0.003","1291.38","0.15","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O7 -","- C31 H24 N2 O7 -","- C62 H48 N4 O14 -","2","1","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","","0.71073","MoKα","","0.1369","0.0637","","","0.1625","0.2479","","","","","","1.2177","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246044","8.1771","0.0004","5.7977","0.0003","13.7003","0.0007","90","","90.684","0.004","90","","649.46","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 N P S2 -","- C15 H10 N P S2 -","- C30 H20 N2 P2 S4 -","2","1","","Evariste, Sloane; Harrison, Alexandra M.; Sarkar, Sunandan; Rheingold, Arnold L.; Dunietz, Barry D.; Heinicke, Joachim W.; Delgado Rosario, Emalyn; Yoon, Sungwoon; Teets, Thomas S.; Protasiewicz, John D.","Luminescent 1<i>H</i>-1,3-benzazaphospholes.","RSC advances","2022","13","1","594","601","10.1039/d2ra07226b","","x-ray","1.54178","CuKα","K-L~3~","0.0442","0.0407","","","0.1011","0.1034","","","","","","1.058","","","","has coordinates,has disorder","281613","2023-03-04","18:48:39",""
"7246071","8.8211","0.0003","10.3594","0.0003","16.2494","0.0004","77.816","0.002","84.816","0.002","65.413","0.003","1319.84","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br Cu N2 P -","- C30 H25 Br Cu N2 P -","- C60 H50 Br2 Cu2 N4 P2 -","2","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0528","0.0325","","","0.0758","0.0784","","","","","","1.028","","","","has coordinates","280092","2023-01-04","02:13:11",""
"7246072","33.966","0.002","9.1945","0.0004","20.1441","0.0013","90","","117.499","0.008","90","","5580.2","0.7","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br Cu N3 O2 P -","- C30 H24 Br Cu N3 O2 P -","- C240 H192 Br8 Cu8 N24 O16 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0942","0.0436","","","0.1028","0.1117","","","","","","0.914","","","","has coordinates","280092","2023-01-04","02:13:12",""
"7246073","9.875","0.0003","9.9744","0.0003","15.7009","0.0005","84.458","0.003","85.7","0.003","63.811","0.003","1380.34","0.08","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H27 Br Cu N2 O P -","- C31 H27 Br Cu N2 O P -","- C62 H54 Br2 Cu2 N4 O2 P2 -","2","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0957","0.0386","","","0.0686","0.0748","","","","","","0.859","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7246074","34.8404","0.0019","9.235","0.0003","20.3611","0.001","90","","118.27","0.007","90","","5769.8","0.6","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Br Cu N2 O P -","- C32 H27 Br Cu N2 O P -","- C256 H216 Br8 Cu8 N16 O8 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.1583","0.0686","","","0.1866","0.2071","","","","","","1.122","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246075","9.36873","0.00018","12.5828","0.0003","25.2196","0.0006","90","","97.584","0.002","90","","2947","0.12","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br Cu N3 P -","- C32 H30 Br Cu N3 P -","- C128 H120 Br4 Cu4 N12 P4 -","4","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0529","0.032","","","0.0722","0.0753","","","","","","1.035","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246076","34.1246","0.0018","9.336","0.0003","20.2331","0.0009","90","","119.101","0.007","90","","5632.3","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Br Cu N2 P -","- C31 H27 Br Cu N2 P -","- C248 H216 Br8 Cu8 N16 P8 -","8","1","","Cáceres-Vásquez, Joaquín; Jara, Danilo H.; Costamagna, Juan; Martínez-Gómez, Fabián; Silva, Carlos P.; Lemus, Luis; Freire, Eleonora; Baggio, Ricardo; Vera, Cristian; Guerrero, Juan","Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes","RSC Advances","2023","13","2","825","838","10.1039/D2RA05341A","","x-ray","0.71073","MoKα","","0.0874","0.0357","","","0.0679","0.0728","","","","","","0.832","","","","has coordinates","280092","2023-01-04","02:13:13",""
"7246119","9.7476","0.00016","9.04653","0.00015","34.1643","0.0007","90","","90","","90","","3012.67","0.09","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","","1.54184","CuKα","","0.0433","0.041","","","0.1126","0.1155","","","","","","1.046","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246120","8.945","0.0002","9.2434","0.0002","10.47923","0.00019","111.862","0.002","93.627","0.002","103.67","0.002","770.29","0.03","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","","1.54187","CuKα","","0.0529","0.0511","","","0.1552","0.1573","","","","","","1.337","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246121","9.0368","0.0005","15.249","0.0007","24.7924","0.0006","90.484","0.003","93.805","0.003","90.777","0.004","3408.5","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H68 N4 O4 -","- C88 H68 N4 O4 -","- C176 H136 N8 O8 -","2","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","x-ray","1.54184","CuKα","","0.1985","0.1618","","","0.4055","0.4115","","","","","","2.6043","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246124","15.759","0.002","44.011","0.006","17.302","0.003","90","","108.84","0.008","90","","11357","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H92 Cl14 Fe7 N16 O14 -","- C86 H92 Cl14 Fe7 N16 O14 -","- C344 H368 Cl56 Fe28 N64 O56 -","4","1","","Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.","An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes","RSC Advances","2023","13","4","2225","2232","10.1039/D2RA08040K","","","0.71073","MoKα","","0.1533","0.1335","","","0.306","0.3157","","","","","","1.152","","","","has coordinates","280323","2023-01-13","02:00:42",""
"7246125","11.4061","0.0012","14.7072","0.0015","16.0129","0.0017","101.764","0.002","110.162","0.002","92.028","0.002","2452.3","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31.5 Cl9.5 Fe4 N8 O1.5 -","- C43 H31.5 Cl9.5 Fe4 N8 O1.5 -","- C86 H63 Cl19 Fe8 N16 O3 -","2","1","","Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.","An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes","RSC Advances","2023","13","4","2225","2232","10.1039/D2RA08040K","","","0.71073","MoKα","","0.1451","0.0706","","","0.1662","0.2045","","","","","","1.026","","","","has coordinates,has disorder","280323","2023-01-13","02:00:43",""
"7246126","18.5249","0.0003","5.7447","0.0001","12.9917","0.0002","90","","108.935","0.002","90","","1307.76","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C52 H56 N8 O12 S4 -","4","1","","Zhao, Mingming; Guo, Yiming; Wang, Qi; Liu, Lanqi; Zhang, Shujie; Guo, Wei; Wu, Lin-Ping; Qiu, Fayang G.","Synthesis of 2-iminothiazolidin-4-ones via copper-catalyzed [2 + 1 + 2] tandem annulation","RSC Advances","2023","13","4","2220","2224","10.1039/D2RA07872D","","x-ray","1.54184","CuKα","","0.0363","0.0351","","","0.1016","0.1029","","","","","","1.111","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7246134","29.7748","0.0002","20.1297","0.0001","20.6698","0.0001","90","","108.433","0.001","90","","11753","0.13","100","0.9","100","0.9","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0281","0.0277","","","0.0707","0.0709","","","","","","1.025","","","","has coordinates,has disorder","280341","2023-01-14","01:45:27",""
"7246135","29.75","0.0006","20.1395","0.0005","20.6309","0.0004","90","","108.312","0.002","90","","11735","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 La N4 O8 -","- C57 H54 F17 La N4 O8 -","- C456 H432 F136 La8 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0679","0.058","","","0.1506","0.1588","","","","","","1.071","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246136","29.487","0.0004","20.0974","0.0003","20.6981","0.0003","90","","108.271","0.001","90","","11647.5","0.3","100","1","100","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 F17 N4 O8 Sm -","- C57 H54 F17 N4 O8 Sm -","- C456 H432 F136 N32 O64 Sm8 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0601","0.0514","","","0.1376","0.1441","","","","","","1.083","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246137","29.4616","0.0002","20.0633","0.0001","20.6966","0.0001","90","","108.251","0.001","90","","11618.3","0.13","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Eu F17 N4 O8 -","- C57 H54 Eu F17 N4 O8 -","- C456 H432 Eu8 F136 N32 O64 -","8","2","","Hou, Ziting; Huang, Yanji; Ruan, Yushan; Xu, Han; Tan, Yu; Lin, Li-Rong; Wu, Zhen-yi","Reversible trans-to-cis photoisomerization and irreversible photocyclization reactions of a Co-coordinated stilbene derivative on chiral di-β-diketonate lanthanide complexes","RSC Advances","2023","13","4","2269","2282","10.1039/D2RA07133A","","x-ray","1.54184","CuKα","","0.0453","0.0429","","","0.1135","0.1153","","","","","","1.054","","","","has coordinates,has disorder","280341","2023-01-14","01:45:28",""
"7246151","10.422","0.003","17.54","0.006","10.109","0.003","90","","90","","90","","1847.9","1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tris(4-azidophenyl)methanol","","- C19 H13 N9 O -","- C19 H13 N9 O -","- C76 H52 N36 O4 -","4","1","","Qiu, Xujun; Brückel, Julian; Zippel, Christoph; Nieger, Martin; Biedermann, Frank; Bräse, Stefan","Tris(4-azidophenyl)methanol – a novel and multifunctional thiol protecting group","RSC Advances","2023","13","4","2483","2486","10.1039/D2RA05997E","","","0.71073","MoKα","","0.0463","0.0378","","","0.0918","0.0984","","","","","","1.029","","","","has coordinates","280414","2023-01-18","04:08:48",""
"7246152","10.95","0.002","7.2595","0.0015","9.637","0.0019","90","","97.03","0.03","90","","760.3","0.3","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 F4 N10 -","- C10 H8 Cl2 F4 N10 -","- C20 H16 Cl4 F8 N20 -","2","0.5","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0491","0.0469","","","0.1049","0.1062","","","","","","1.133","","","","has coordinates,has disorder","280415","2023-01-18","04:09:41",""
"7246153","7.6743","0.0013","8.169","0.0014","11.2815","0.0019","92.753","0.004","93.733","0.004","93.499","0.004","703.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Cl2 F2 N8 -","- C9 H10 Cl2 F2 N8 -","- C18 H20 Cl4 F4 N16 -","2","1","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0571","0.0419","","","0.1196","0.1343","","","","","","0.972","","","","has coordinates","280415","2023-01-18","04:09:41",""
"7246154","7.8331","0.0001","8.6308","0.0001","11.2924","0.0001","100.654","0.001","94.011","0.001","94.851","0.001","744.725","0.015","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 F4 N8 -","- C10 H8 Cl2 F4 N8 -","- C20 H16 Cl4 F8 N16 -","2","1","","Yang, Xin-bo; Jia, Chen-hui; Miao, Xiang-yan; Li, Yu-chuan; Pang, Si-ping","Synthesis and characterization of potential polycyclic energetic materials using bicyclic triazole and azetidine structures as building blocks","RSC Advances","2023","13","4","2600","2610","10.1039/D2RA06646G","","","0.71073","MoKα","","0.0671","0.0508","","","0.1611","0.1784","","","","","","0.996","","","","has coordinates","280415","2023-01-18","04:09:41",""
"7246158","42.6814","0.0013","11.4302","0.0003","19.993","0.0006","90","","90.434","0.002","90","","9753.4","0.5","210","1","210","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 O9 Os3 P2 Sb -","- C52 H37 O9 Os3 P2 Sb -","- C416 H296 O72 Os24 P16 Sb8 -","8","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0296","0.0215","","","0.0448","0.0479","","","","","","1.029","","","","has coordinates","280427","2023-01-19","02:04:27",""
"7246159","19.6929","0.001","13.9599","0.0007","20.1424","0.001","90","","113.639","0.001","90","","5072.7","0.4","210","1","210","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 Cl2 O7 Os3 P2 Sb -","- C51 H39 Cl2 O7 Os3 P2 Sb -","- C204 H156 Cl8 O28 Os12 P8 Sb4 -","4","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0522","0.029","","","0.0498","0.0559","","","","","","1.025","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246160","11.9842","0.0005","12.2615","0.0004","22.7266","0.0009","101.908","0.002","98.475","0.002","94.176","0.002","3213.6","0.2","193","1","193","1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H52 O8 Os3 P2 Sb2 -","- C69 H52 O8 Os3 P2 Sb2 -","- C138 H104 O16 Os6 P4 Sb4 -","2","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0482","0.0298","","","0.0589","0.0642","","","","","","1.026","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246161","15.1736","0.0004","20.3459","0.0006","21.9689","0.0006","90","","90","","90","","6782.3","0.3","210","1","210","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H52 O7 Os3 P2 Sb2 -","- C68 H52 O7 Os3 P2 Sb2 -","- C272 H208 O28 Os12 P8 Sb8 -","4","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0286","0.0265","","","0.0596","0.0603","","","","","","1.116","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246162","5.2907","0.0009","14.516","0.002","23.891","0.004","90","","90","","90","","1834.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C72 H88 N8 O16 S8 -","8","2","","Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli","Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide","RSC Advances","2023","13","4","2631","2634","10.1039/D2RA07451F","","x-ray","0.71073","MoKα","","0.0576","0.0503","","","0.1052","0.1111","","","","","","1.036","","","","has coordinates","280428","2023-01-19","02:05:26",""
"7246163","6.197","0.0004","9.2995","0.0006","13.4406","0.0008","93.647","0.005","95","0.005","103.04","0.005","748.95","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","2","","Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli","Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide","RSC Advances","2023","13","4","2631","2634","10.1039/D2RA07451F","","x-ray","0.71073","MoKα","","0.0487","0.042","","","0.0999","0.1058","","","","","","1.043","","","","has coordinates","280428","2023-01-19","02:05:30",""
"7246164","7.0706","0.0015","18.748","0.004","12.612","0.003","90","","105.578","0.005","90","","1610.4","0.6","100","2","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","2","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Ahmed, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Karim, Abdul; Ahmad, Nazir; Rehman, Muhammad Fayyaz ur","Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors","RSC Advances","2023","13","5","2756","2767","10.1039/D2RA07051K","","x-ray","0.71073","MoKα","","0.2849","0.1437","","","0.3506","0.4384","","","","","","1.258","","","","has coordinates","280429","2023-01-19","02:06:14",""
"7246165","23.99","0.008","10.421","0.004","13.701","0.004","90","","95.295","0.005","90","","3411","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 N2 O3 Zn -","- C40 H49 N2 O3 Zn -","- C160 H196 N8 O12 Zn4 -","4","1","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Ahmed, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Karim, Abdul; Ahmad, Nazir; Rehman, Muhammad Fayyaz ur","Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors","RSC Advances","2023","13","5","2756","2767","10.1039/D2RA07051K","","x-ray","0.71073","MoKα","","0.1896","0.078","","","0.1917","0.2918","","","","","","1.076","","","","has coordinates","280429","2023-01-19","02:06:15",""
"7246176","6.8367","0.0003","28.7426","0.0013","9.8648","0.0006","90","","109.255","0.005","90","","1830.04","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O P Se -","- C18 H23 N2 O P Se -","- C72 H92 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","1.54184","CuKα","","0.0564","0.0474","","","0.1164","0.1214","","","","","","1.198","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246177","10.242","0.012","15.493","0.018","11.726","0.013","90","","90","","90","","1861","4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","0.71073","MoKα","","0.4657","0.1139","","","0.1944","0.3236","","","","","","0.915","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246178","7.6068","0.0002","19.9624","0.0007","14.6284","0.0005","90","","91.245","0.003","90","","2220.8","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Al N2 O P Se -","- C20 H28 Al N2 O P Se -","- C80 H112 Al4 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","1.54184","CuKα","","0.053","0.0373","","","0.093","0.1","","","","","","1.008","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246179","14.1432","0.0005","7.1641","0.0002","27.1954","0.0016","90","","94.638","0.004","90","","2746.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Al2 N2 O P Se -","- C23 H37 Al2 N2 O P Se -","- C92 H148 Al8 N8 O4 P4 Se4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","0.71073","MoKα","","0.0919","0.0484","","","0.0925","0.1094","","","","","","1.028","","","","has coordinates","280455","2023-01-20","02:06:16",""
"7246187","16.674","0.002","8.0975","0.0007","16.837","0.002","90","","119.02","0.016","90","","1987.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O2 Pd -","- C42 H48 N4 O2 Pd -","- C84 H96 N8 O4 Pd2 -","2","0.5","","Pakpour, Fatemeh; Safaei, Elham; Azami, S. Mohammad; Wojtczak, Andrzej; Kaldunska, Karolina","The role of a redox-active non-innocent ligand in additive-free C–C Glaser–Hay and Suzuki coupling reactions by an o-aminophenol palladium(ii) complex","RSC Advances","2023","13","5","3278","3289","10.1039/D2RA07252A","","","0.71073","MoKα","","0.1242","0.0813","","","0.223","0.2611","","","","","","1.159","","","","has coordinates","280485","2023-01-21","02:06:00",""
"7246188","12.012","0.002","12.909","0.003","14.885","0.003","90","","97.85","0.03","90","","2286.5","0.8","100","2","100","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","[Val,Chg]ASC","c(Val-Oxz-dval-Thz-Chg-Oxz-dval-Thz)2.DMA","","- C41 H61 N9 O7 S2 -","- C41 H61 N9 O7 S2 -","- C82 H122 N18 O14 S4 -","2","1","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","1.54184","CuKα","","0.0657","0.0644","","","0.1733","0.1754","","","","","","0.744","","","","has coordinates","280486","2023-01-21","02:06:34",""
"7246189","18.269","0.006","12.967","0.004","11.641","0.004","90","","123.754","0.004","90","","2292.8","1.3","240","2","240","2","","","","","","","synthesis","5","C 1 2 1","C 2y","5","","cyclo(Val-Oxz-D-Val-Thz-Phg-Oxz-D-Val-Thz).dimethylacetamide","","- C42 H56 N9 O7 S2 -","- C42 H56 N9 O7 S2 -","- C84 H112 N18 O14 S4 -","2","0.5","","Asano, Akiko; Minoura, Katsuhiko; Yamada, Takeshi; Doi, Mitsunobu","Experimental evidence for CH⋯π interaction-mediated stabilization of the square form in phenylglycine-incorporated ascidiacyclamide","RSC Advances","2023","13","4","2458","2466","10.1039/D2RA07063D","","","0.71073","MoKα","","0.1249","0.1071","","","0.2655","0.278","","","","","","1.141","","","","has coordinates,has disorder","280486","2023-01-21","02:06:35",""
"7246200","25.9184","0.0007","5.4615","0.0002","13.2419","0.0004","90","","113.639","0.001","90","","1717.15","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 Br O2 -","- C8 H11 Br O2 -","- C64 H88 Br8 O16 -","8","1","","Sutter, Patrick J.; Kang, Guowei; Vellalath, Sreekumar; Romo, Daniel","Zinc-mediated carboxylations of allylic and propargylic halides in flow: synthesis of β-lactones via subsequent bromolactonization","RSC Advances","2023","13","6","3468","3473","10.1039/D2RA07715A","","","0.71073","MoKα","","0.0224","0.0217","","","0.0533","0.0537","","","","","","1.06","","","","has coordinates","280574","2023-01-25","02:10:41",""
"7246201","9.2836","0.0007","10.9381","0.0007","13.6479","0.001","98.031","0.006","98.938","0.006","90.963","0.006","1354.57","0.17","100","1","100","1","","","","","","","","6","P 1","P 1","1","","","","- C28 H27 F6 N3 O S -","- C28 H27 F6 N3 O S -","- C56 H54 F12 N6 O2 S2 -","2","2","","Nomura, Miku; Begum, Zubeda; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Tokiwa, Suguru; Takeshita, Mitsuhiro; Nakano, Hiroto","Thiourea fused γ-amino alcohol organocatalysts for asymmetric Mannich reaction of β-keto active methylene compounds with imines","RSC Advances","2023","13","6","3715","3722","10.1039/D2RA08317E","","","1.54178","CuKα","","0.1264","0.0826","","","0.1954","0.2257","","","","","","0.998","","","","has coordinates","280630","2023-01-27","02:12:36",""
"7246206","11.3677","0.0006","12.0415","0.0006","13.6045","0.0007","65.426","0.002","78.953","0.002","64.641","0.002","1530.17","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 Cu2 I2 N10 O3 P2 -","- C63 H60 Cu2 I2 N10 O3 P2 -","- C63 H60 Cu2 I2 N10 O3 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0695","0.0475","","","0.0837","0.0911","","","","","","1.004","","","","has coordinates,has disorder","280647","2023-01-28","02:14:08",""
"7246207","10.8722","0.001","12.3493","0.001","12.7434","0.001","109.563","0.003","111.852","0.003","100.786","0.002","1398.1","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 Cu2 I2 N8 P2 -","- C62 H50 Cu2 I2 N8 P2 -","- C62 H50 Cu2 I2 N8 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0409","0.0382","","","0.1051","0.1074","","","","","","1.036","","","","has coordinates","280647","2023-01-28","02:14:08",""
"7246208","8.7137","0.0001","12.3406","0.0002","13.8265","0.0002","105.328","0.001","101.074","0.001","104.355","0.001","1335.29","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cu I N5 P -","- C30 H24 Cu I N5 P -","- C60 H48 Cu2 I2 N10 P2 -","2","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","x-ray","1.54184","CuKα","","0.0325","0.032","","","0.0877","0.0882","","","","","","1.108","","","","has coordinates","280647","2023-01-28","02:14:08",""
"7246209","27.091","0.004","8.3928","0.0014","28.914","0.005","90","","104.454","0.005","90","","6366.1","1.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H50 Cl6 Cu2 I2 N10 P2 -","- C62 H50 Cl6 Cu2 I2 N10 P2 -","- C248 H200 Cl24 Cu8 I8 N40 P8 -","4","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.1311","0.0878","","","0.196","0.2193","","","","","","1.042","","","","has coordinates","280647","2023-01-28","02:14:09",""
"7246210","9.3493","0.0004","15.3341","0.0007","20.8594","0.001","90","","100.62","0.002","90","","2939.2","0.2","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cu I N4 O P -","- C32 H29 Cu I N4 O P -","- C128 H116 Cu4 I4 N16 O4 P4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Kryukova, Mariya; Karaush-Karmazin, Nataliya; Baryshnikov, Glib; Minaev, Boris; Linert, Wolfgang","Structure and emission properties of dinuclear copper(i) complexes with pyridyltriazole","RSC Advances","2023","13","6","3899","3909","10.1039/D2RA06986E","","","0.71073","MoKα","","0.0718","0.0664","","","0.1616","0.1667","","","","","","1.021","","","","has coordinates","280647","2023-01-28","02:14:09",""
"7246214","26.921","0.004","19.255","0.002","25.544","0.003","90","","101.364","0.012","90","","12981","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PAA F4TCNQ","","- C70 H56 F2 N6 Si4 -","- C70 H56 F2 N6 Si4 -","- C560 H448 F16 N48 Si32 -","8","1","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","1.54186","CuKα","","0.1707","0.0835","","","0.172","0.2267","","","","","","1.033","","","","has coordinates","280688","2023-01-31","02:45:22",""
"7246215","9.0452","0.0006","10.1512","0.0007","10.1574","0.0007","112.442","0.005","94.726","0.005","115.784","0.005","740.8","0.11","100","","100","","","","","","","","Dichloromethane","5","P -1","-P 1","2","","TOTA F4BQ","","- C21 H9 F2 N O4 -","- C21 H9 F2 N O4 -","- C42 H18 F4 N2 O8 -","2","1","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","0.71073","MoKα","","0.05","0.0382","","","0.1005","0.1094","","","","","","1.034","","","","has coordinates","280688","2023-01-31","02:45:23",""
"7246216","17.1173","0.0006","19.0311","0.0005","16.148","0.0006","90","","109.49","0.003","90","","4959","0.3","100","","100","","","","","","","","Dichloromethane","6","P 1 21/c 1","-P 2ybc","14","","PAA F4TCNQ","","- C30.5 H10 Cl F4 N5 O3 -","- C30.5 H10 Cl F4 N5 O3 -","- C244 H80 Cl8 F32 N40 O24 -","8","2","","Das, Rajorshi; Linseis, Michael; Schupp, Stefan M.; Gogesch, Franciska S.; Schmidt-Mende, Lukas; Winter, Rainer F.","Organic binary charge-transfer compounds of 2,2′ : 6′,2′′ : 6′′,6-trioxotriphenylamine and a pyrene-annulated azaacene as donors","RSC Advances","2023","13","6","3652","3660","10.1039/D2RA07322F","","x-ray","0.71073","MoKα","","0.0804","0.0488","","","0.1047","0.1292","","","","","","1.05","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7246226","6.5334","0.0006","25.031","0.002","15.1033","0.0013","90","","102.382","0.003","90","","2412.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H44 Br2 N4 -","- C62 H44 Br2 N4 -","- C124 H88 Br4 N8 -","2","0.5","","Risi, Guglielmo; Devereux, Mike; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Back to the future: asymmetrical DπA 2,2′-bipyridine ligands for homoleptic copper(i)-based dyes in dye-sensitised solar cells","RSC Advances","2023","13","7","4122","4137","10.1039/D3RA00437F","","x-ray","1.54178","CuKα","","0.0313","0.028","","","0.0751","0.0776","","","","","","1.063","","","","has coordinates","280720","2023-02-01","02:28:12",""
"7246231","7.7916","0.0006","8.9848","0.0006","11.9955","0.0007","104.394","0.006","106.396","0.006","104.368","0.006","733.1","0.1","149.5","0.8","149.5","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 Cu2 N6 O8 -","- C26 H22 Cl4 Cu2 N6 O8 -","- C26 H22 Cl4 Cu2 N6 O8 -","1","0.5","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0457","0.0339","","","0.0676","0.0748","","","","","","1.07","","","","has coordinates","280744","2023-02-02","02:31:47",""
"7246232","8.2856","0.0003","12.1191","0.0005","19.2393","0.0006","82.105","0.003","86.22","0.003","77.071","0.003","1863.83","0.12","150.05","0.1","150.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cu F3 N6 O13 S -","- C27 H26 Cu F3 N6 O13 S -","- C54 H52 Cu2 F6 N12 O26 S2 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0508","0.039","","","0.0861","0.0916","","","","","","1.026","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246233","7.4731","0.0004","11.7049","0.0004","17.6092","0.0008","97.285","0.004","96.617","0.004","102.781","0.004","1473.58","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O8 P -","- C26 H22 Ag F6 N6 O8 P -","- C52 H44 Ag2 F12 N12 O16 P2 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0528","0.037","","","0.0779","0.0854","","","","","","1.027","","","","has coordinates,has disorder","280744","2023-02-02","02:31:48",""
"7246234","8.2856","0.0003","12.1191","0.0005","19.2393","0.0006","82.105","0.003","86.22","0.003","77.071","0.003","1863.83","0.12","150.05","0.1","150.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cu F6 N6 O17 S2 -","- C28 H28 Cu F6 N6 O17 S2 -","- C56 H56 Cu2 F12 N12 O34 S4 -","2","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.1249","0.1091","","","0.2941","0.3109","","","","","","1.026","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246235","11.0042","0.0012","12.8657","0.0008","12.582","0.0012","90","","115.436","0.013","90","","1608.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag N4 O7.5 -","- C13 H12 Ag N4 O7.5 -","- C52 H48 Ag4 N16 O30 -","4","1","","Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.","Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex","RSC Advances","2023","13","7","4376","4393","10.1039/D2RA07401J","","x-ray","0.71073","MoKα","","0.0409","0.0312","","","0.073","0.0789","","","","","","1.021","","","","has coordinates","280744","2023-02-02","02:31:48",""
"7246236","7.5877","0.0004","7.2192","0.0004","28.0023","0.0014","90","","90.507","0.001","90","","1533.83","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3E,5E)-3-benzylidene-5-(4-nitrobenzylidene)dihydro-2H-pyran-4(3H)-one","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad","Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties","RSC Advances","2023","13","7","4476","4494","10.1039/D2RA07681K","","","0.71073","MoKα","","0.0474","0.0413","","","0.1044","0.1095","","","","","","1.029","","","","has coordinates","280776","2023-02-03","02:11:56",""
"7246237","16.154","0.002","6.9813","0.001","28.997","0.004","90","","90","","90","","3270.2","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone","","- C21 H20 O3 -","- C21 H20 O3 -","- C168 H160 O24 -","8","1","","Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad","Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties","RSC Advances","2023","13","7","4476","4494","10.1039/D2RA07681K","","","0.71073","MoKα","","0.0623","0.0547","","","0.1123","0.1161","","","","","","1.159","","","","has coordinates","280776","2023-02-03","02:11:59",""
"7246292","10.6549","0.0001","24.1161","0.0003","12.81","0.0002","90","","111.908","0.002","90","","3053.88","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O4 S -","- C35 H33 N5 O4 S -","- C140 H132 N20 O16 S4 -","4","2","","Battula, Himabindu; Nath, Moromi; Mishra, Sabyashachi; Jayanty, Subbalakshmi","Spirocyclic rhodamine B benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism.","RSC advances","2023","13","8","5134","5148","10.1039/d2ra08022b","","x-ray","1.54184","CuKα","","0.0553","0.0513","","","0.1403","0.1437","","","","","","1.038","","","","has coordinates","281041","2023-02-20","13:30:50",""
"7246293","10.0111","0.001","11.7592","0.0012","13.097","0.0015","90","","90","","90","","1541.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Reddy, Yeruva Pavankumar; Srinivasadesikan, V.; Balamurugan, Rengarajan; Lin, M. C.; Anwar, Shaik","Synthesis of tetrahydrochromenes and dihydronaphthofurans via a cascade process of [3 + 3] and [3 + 2] annulation reactions: mechanistic insight for 6-endo-trig and 5-exo-trig cyclisation","RSC Advances","2023","13","9","5796","5803","10.1039/D2RA08163F","","","0.71073","MoKα","","0.0418","0.0365","","","0.0947","0.0985","","","","","","1.039","","","","has coordinates","281042","2023-02-20","13:31:32",""
"7246294","11.5839","0.0004","7.0849","0.0003","18.9487","0.0008","90","","91.452","0.003","90","","1554.64","0.11","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 B Cl2 N2 S -","- C18 H11 B Cl2 N2 S -","- C72 H44 B4 Cl8 N8 S4 -","4","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","x-ray","1.54178","CuKα","","0.0398","0.0323","","","0.0827","0.0868","","","","","","1.067","","","","has coordinates","281043","2023-02-20","13:32:39",""
"7246295","10.4393","0.0006","10.3703","0.0005","17.1418","0.0012","90","","107.199","0.003","90","","1772.77","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 S -","- C24 H16 N2 S -","- C96 H64 N8 S4 -","4","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.036","0.0351","","","0.0878","0.0883","","","","","","1.042","","","","has coordinates","281043","2023-02-20","13:32:39",""
"7246296","6.8773","0.0001","7.4161","0.0001","16.8392","0.0003","89.364","0.0007","85.3723","0.0007","73.5196","0.0007","820.81","0.02","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 S3 -","- C20 H12 N2 S3 -","- C40 H24 N4 S6 -","2","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.0287","0.0275","","","0.0696","0.0704","","","","","","1.07","","","","has coordinates,has disorder","281043","2023-02-20","13:32:39",""
"7246297","9.9159","0.0003","9.8182","0.0003","10.8445","0.0003","90","","101.793","0.001","90","","1033.5","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H16 N2 S3 -","- C26 H16 N2 S3 -","- C52 H32 N4 S6 -","2","1","","Taylor, Dominic; Malcomson, Thomas; Zhakeyev, Adilet; Rosair, Georgina M.; Paterson, Martin J.; Marques-Hueso, Jose; Dalgarno, Scott J.; Vilela, Filipe","Regioselective electrophilic aromatic borylation as a method for synthesising sterically hindered benzothiadiazole fluorophores","RSC Advances","2023","13","9","5826","5832","10.1039/D2RA08319A","","","1.54178","CuKα","","0.0224","0.0224","","","0.0585","0.0586","","","","","","1.104","","","","has coordinates","281043","2023-02-20","13:32:40",""
"7246298","9.176","","10.505","","13.141","","90","","90","","90","","1266.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Chloride","","- Cl5 Cs3 Cu2 -","- Cl5 Cs3 Cu2 -","- Cl20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0771","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:16",""
"7246299","9.524","","10.979","","13.648","","90","","90","","90","","1427.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Bromide","","- Br5 Cs3 Cu2 -","- Br5 Cs3 Cu2 -","- Br20 Cs12 Cu8 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0342","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246300","10.1743","","11.6532","","14.3621","","90","","90","","90","","1702.82","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricesium Dicopper(I) Iodide","","- Cs3 Cu2 I5 -","- Cs3 Cu2 I5 -","- Cs12 Cu8 I20 -","4","0.5","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0709","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246301","9.49808","","11.8868","","5.5944","","90","","90","","90","","631.618","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Chloride","","- Cl3 Cs Cu2 -","- Cl3 Cs Cu2 -","- Cl12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0117","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:17",""
"7246302","10.5479","","13.1725","","6.09718","","90","","90","","90","","847.156","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Iodide","","- Cs Cu2 I3 -","- Cs Cu2 I3 -","- Cs4 Cu8 I12 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246303","9.87123","","12.3478","","5.81321","","90","","90","","90","","708.56","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cesium Dicopper(I) Bromide","","- Br3 Cs Cu2 -","- Br3 Cs Cu2 -","- Br12 Cs4 Cu8 -","4","0.25","","Jiang, Zhi; Liu, Hezhuang; Zou, Jihua; Huang, Yixuan; Xu, Zhaoquan; Pustovyi, Denys; Vitusevich, Svetlana","Scale-up synthesis of high-quality solid-state-processed CsCuX (X = Cl, Br, I) perovskite nanocrystal materials toward near-ultraviolet flexible electronic properties","RSC Advances","2023","13","9","5993","6001","10.1039/D2RA07100B","","","","","","0.0167","","","","","","","","","","","","","","","has coordinates","281045","2023-02-20","13:34:18",""
"7246313","11.2232","0.0003","10.9897","0.0002","15.9803","0.0004","90","","109.77","0.003","90","","1854.83","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O Se -","- C22 H18 N2 O Se -","- C88 H72 N8 O4 Se4 -","4","1","","Lalji, Ram Sunil Kumar; Prince,; Gupta, Mohit; Kumar, Sandeep; Kumar, Amit; Singh, Brajendra Kumar","Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones ‘on water’","RSC Advances","2023","13","9","6191","6198","10.1039/D2RA07400A","","","0.71073","MoKα","","0.0491","0.0335","","","0.0761","0.0835","","","","","","1.083","","","","has coordinates","281063","2023-02-21","11:11:41",""
"7246314","9.8962","0.0007","10.3482","0.0006","21.7111","0.001","99.181","0.005","91.413","0.005","114.77","0.007","1982.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F N2 O Se -","- C22 H17 F N2 O Se -","- C88 H68 F4 N8 O4 Se4 -","4","2","","Lalji, Ram Sunil Kumar; Prince,; Gupta, Mohit; Kumar, Sandeep; Kumar, Amit; Singh, Brajendra Kumar","Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones ‘on water’","RSC Advances","2023","13","9","6191","6198","10.1039/D2RA07400A","","","0.71073","MoKα","","0.1233","0.0539","","","0.0935","0.1266","","","","","","1.017","","","","has coordinates","281063","2023-02-21","11:11:52",""
"7246322","5.942","0.0004","18.6317","0.0017","20.5632","0.0013","90","","90","","90","","2276.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S Se -","- C27 H21 N O2 S Se -","- C108 H84 N4 O8 S4 Se4 -","4","1","","Yu, Minhui; Jin, Tao; Wang, Xiaohua; Li, Haohu; Ji, Decai; Yao, Jinzhong; Zeng, Heyang; Shi, Senlei; Xu, Kaimeng; Zhang, Lianpeng","Regioselective intramolecular cyclization of o-alkynyl arylamines with the in situ formation of ArXCl to construct poly-functionalized 3-selenylindoles","RSC Advances","2023","13","9","6210","6216","10.1039/D3RA00030C","","x-ray","0.71073","MoKα","","0.0935","0.0426","","","0.0601","0.0701","","","","","","0.904","","","","has coordinates","297289","2025-01-11","08:06:24",""
"7246385","12.4137","0.0006","5.556","0.0003","21.0115","0.001","90","","92.6231","0.0019","90","","1447.66","0.13","294","2","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Suresh, Rajaghatta N.; Swaroop, Toreshettahally R.; Gowda, Darshini; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","A panoramic view on synthetic applications of α-oxothioamides: a highly regioselective synthesis of 2-acyl-4-(het)arylthiazoles and thioethers.","RSC advances","2023","13","8","4910","4916","10.1039/d2ra08118k","","","0.71073","MoKα","","0.0856","0.0482","","","0.1074","0.1277","","","","","","1.021","","","","has coordinates","281302","2023-03-04","16:24:44",""
"7246386","31.4723","0.0003","8.4394","0.0005","5.347","0.002","90","","90","","90","","1420.2","0.5","294","2","294.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F2 O2 S -","- C16 H12 F2 O2 S -","- C64 H48 F8 O8 S4 -","4","1","","Suresh, Rajaghatta N.; Swaroop, Toreshettahally R.; Gowda, Darshini; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","A panoramic view on synthetic applications of α-oxothioamides: a highly regioselective synthesis of 2-acyl-4-(het)arylthiazoles and thioethers.","RSC advances","2023","13","8","4910","4916","10.1039/d2ra08118k","","","0.71073","MoKα","","0.0842","0.0483","","","0.1192","0.134","","","","","","1.029","","","","has coordinates","281302","2023-03-04","16:24:45",""
"7246387","12.2173","0.0014","7.2881","0.0008","5.772","0.0006","90","","90.868","0.01","90","","513.89","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S2 -","- C14 H6 S2 -","- C28 H12 S4 -","2","0.5","","Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni","Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene).","RSC advances","2023","13","7","4578","4583","10.1039/d3ra00144j","","","0.71073","MoKα","","0.1008","0.0552","","","0.0983","0.1123","","","","","","1.081","","","","has coordinates","281303","2023-03-04","16:29:26",""
"7246388","5.9039","0.0002","16.2762","0.0006","7.6534","0.0003","90","","98.902","0.004","90","","726.58","0.05","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 S2 -","- C18 H14 S2 -","- C36 H28 S4 -","2","0.5","","Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni","Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene).","RSC advances","2023","13","7","4578","4583","10.1039/d3ra00144j","","","0.71073","MoKα","","0.0343","0.0311","","","0.093","0.0972","","","","","","1.089","","","","has coordinates","281303","2023-03-04","16:29:27",""
"7246389","8.3502","0.0002","11.2071","0.0002","13.7253","0.0003","105.807","0.002","99.945","0.002","92.702","0.002","1211.27","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O7 -","- C28 H32 O7 -","- C56 H64 O14 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0419","0.0398","","","0.1084","0.1104","","","","","","1.051","","","","has coordinates,has disorder","281304","2023-03-04","16:30:27",""
"7246390","10.4836","0.0002","10.8282","0.0002","11.0718","0.0003","115.718","0.002","91.618","0.002","101.288","0.002","1101.3","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0398","0.0391","","","0.1021","0.1027","","","","","","1.058","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246391","9.5414","0.0002","13.4295","0.0003","13.5307","0.0003","70.624","0.002","84.081","0.002","82.783","0.002","1619.12","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O7 -","- C40 H34 O7 -","- C80 H68 O14 -","2","1","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.0467","0.0432","","","0.1147","0.1173","","","","","","1.035","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246392","11.9556","0.0002","7.174","0.0002","18.9601","0.0004","90","","94.087","0.002","90","","1622.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui","Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.","RSC advances","2023","13","7","4859","4864","10.1039/d2ra08133d","","","1.54178","CuKα","","0.042","0.0415","","","0.1172","0.1179","","","","","","0.867","","","","has coordinates","281304","2023-03-04","16:30:27",""
"7246393","13.9393","0.0003","12.5328","0.0002","7.4066","0.0001","90","","96.018","0.002","90","","1286.79","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H12 O4 S2 -","- C14 H12 O4 S2 -","- C56 H48 O16 S8 -","4","1","","Li, Chengpeng; Kiefel, Milton J.","Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes.","RSC advances","2023","13","7","4713","4720","10.1039/d2ra07492c","","x-ray","0.71073","MoKα","","0.0302","0.0287","","","0.0732","0.0748","","","","","","1.045","","","","has coordinates","281305","2023-03-04","16:31:05",""
"7246394","11.3942","0.0002","8.4872","0.0002","13.8579","0.0003","90","","103.512","0.002","90","","1303.03","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 S2 -","- C14 H12 O4 S2 -","- C56 H48 O16 S8 -","4","1","","Li, Chengpeng; Kiefel, Milton J.","Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes.","RSC advances","2023","13","7","4713","4720","10.1039/d2ra07492c","","x-ray","1.54184","CuKα","","0.0293","0.0282","","","0.0703","0.0712","","","","","","1.058","","","","has coordinates","281305","2023-03-04","16:31:05",""
"7246395","6.4676","0.0017","22.034","0.005","10.852","0.003","90","","100.529","0.004","90","","1520.4","0.7","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Qin, Xin; Zhang, Jinhai; Wang, Zhan-Yong; Song, Yimei; Yang, Yixiao; Zhang, Wenhai; Liu, Hongxin","Highly regioselective synthesis of lactams <i>via</i> cascade reaction of α,β-unsaturated ketones, ketoamides, and DBU as a catalyst.","RSC advances","2023","13","7","4782","4786","10.1039/d2ra07117g","","","0.71073","MoKα","","0.0962","0.0584","","","0.1686","0.2135","","","","","","1.045","","","","has coordinates","281306","2023-03-04","16:31:26",""
"7246396","9.36746","0.00004","18.28656","0.00009","25.0624","0.00012","90","","90","","90","","4293.15","0.03","150","","150","","","","","","","","from U of Wollongong","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Br2 N2 O2 -","- C25 H20 Br2 N2 O2 -","- C200 H160 Br16 N16 O16 -","8","1","","Perry, Matthew J.; Willis, Anthony C.; Bremner, John B.; Keller, Paul A.","An investigation of the allylation cascade reactions of substituted indigos.","RSC advances","2023","13","7","4865","4873","10.1039/d3ra00481c","","x-ray","1.54184","CuKα","","0.0231","0.0226","","0.0556","0.0553","0.0556","","","","","","1.0299","","","","has coordinates","281307","2023-03-04","16:32:34",""
"7246416","16.0184","0.0006","17.2661","0.0007","8.8793","0.0004","90","","90","","90","","2455.8","0.17","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Cu N4 O5 -","- C22 H36 Cu N4 O5 -","- C88 H144 Cu4 N16 O20 -","4","0.5","","Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan","Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies","RSC Advances","2023","13","11","7632","7644","10.1039/D2RA08341H","","","0.71073","MoKα","","0.0572","0.0401","","","0.1047","0.1176","","","","","","1.131","","","","has coordinates","281759","2023-03-09","02:16:47",""
"7246417","10.5595","0.0005","12.9431","0.0007","20.8682","0.0011","90","","98.743","0.002","90","","2819","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl2 N12 Ni2 O12 -","- C50 H70 Cl2 N12 Ni2 O12 -","- C100 H140 Cl4 N24 Ni4 O24 -","2","0.5","","Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan","Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies","RSC Advances","2023","13","11","7632","7644","10.1039/D2RA08341H","","","0.71073","MoKα","","0.0417","0.0346","","","0.0857","0.0916","","","","","","1.069","","","","has coordinates","281759","2023-03-09","02:16:48",""
"7246429","12.1363","0.0006","14.9001","0.0008","16.2525","0.0009","90","","98.612","0.002","90","","2905.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Br4 N4 Zn -","- C24 H34 Br4 N4 Zn -","- C96 H136 Br16 N16 Zn4 -","4","1","","Kammoun, I.; Belhouchet, M.; Ben Ahmed, A.; Lhoste, J.; Gargouri, M.","Investigation of structural, optical and electrical conductivity of a new organic inorganic bromide: [C12H17N2]2ZnBr4","RSC Advances","2023","13","12","8034","8042","10.1039/D3RA00561E","","","0.71073","MoKα","","0.1616","0.0525","","","0.1","0.1339","","","","","","0.989","","","","has coordinates","281826","2023-03-11","02:38:21",""
"7246443","7.7998","0.0019","11.64","0.003","15.758","0.004","76.704","0.008","88.171","0.007","79.407","0.008","1368.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.96 H57.58 N1.65 O18 Zn -","- C54.968 H57.592 N1.656 O18 Zn -","- C54.968 H57.592 N1.656 O18 Zn -","1","0.5","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.1254","0.0818","","","0.2106","0.2448","","","","","","1.02","","","","has coordinates,has disorder","281905","2023-03-16","02:22:37",""
"7246444","31.514","0.008","17.306","0.005","10.282","0.003","90","","98.828","0.008","90","","5541","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 N2 O13 Zn -","- C51 H60 N2 O13 Zn -","- C204 H240 N8 O52 Zn4 -","4","0.5","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.1649","0.0779","","","0.2045","0.2588","","","","","","0.995","","","","has coordinates,has disorder","281905","2023-03-16","02:22:40",""
"7246445","10.5643","0.0005","12.4244","0.0005","30.5143","0.0014","91.7948","0.001","92.0579","0.001","114.781","0.0009","3629.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H77 N3 O22 Zn -","- C79 H77 N3 O22 Zn -","- C158 H154 N6 O44 Zn2 -","2","1","","Meza-Morales, William; Alvarez-Ricardo, Yair; Obregón-Mendoza, Marco A.; Arenaza-Corona, Antonino; Ramírez-Apan, María Teresa; Toscano, Rubén A.; Poveda-Jaramillo, Juan Carlos; Enríquez, Raúl G.","Three new coordination geometries of homoleptic Zn complexes of curcuminoids and their high antiproliferative potential","RSC Advances","2023","13","13","8577","8585","10.1039/D3RA00167A","","","0.71073","MoKα","","0.0614","0.047","","","0.1096","0.1176","","","","","","1.051","","","","has coordinates,has disorder","281905","2023-03-16","02:22:44",""
"7246459","9.288","0.0005","9.6491","0.0005","10.2198","0.0005","66.574","0.004","82.57","0.004","84.516","0.004","832.37","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","","0.71073","MoKα","","0.0468","0.037","","","0.1003","0.1046","","","","","","1.084","","","","has coordinates","281927","2023-03-17","02:29:52",""
"7246460","12.9563","0.0011","8.0625","0.0004","14.0076","0.0017","90","","106.127","0.008","90","","1405.7","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H13 Cl3 Co N4 -","- C10 H13 Cl3 Co N4 -","- C40 H52 Cl12 Co4 N16 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0275","0.0264","","","0.0684","0.069","","","","","","1.048","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246461","11.359","0.003","11.974","0.007","24.537","0.007","90","","99.62","0.02","90","","3290","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Co N3 O8 -","- C35 H44 Co N3 O8 -","- C140 H176 Co4 N12 O32 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","","0.71073","MoKα","","0.1214","0.0568","","","0.1329","0.1687","","","","","","0.997","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246462","12.562","0.0015","15.3891","0.0008","12.905","0.0012","90","","114.666","0.007","90","","2267.1","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Co N4 O4 -","- C26 H22 Co N4 O4 -","- C104 H88 Co4 N16 O16 -","4","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0405","0.0309","","","0.0773","0.0809","","","","","","1.062","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246463","10.9556","0.0008","20.9941","0.0012","11.8225","0.0009","90","","97.027","0.006","90","","2698.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Co3 N4 O16 -","- C52 H58 Co3 N4 O16 -","- C104 H116 Co6 N8 O32 -","2","0.5","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.1039","0.0571","","","0.1403","0.1612","","","","","","1.034","","","","has coordinates","281927","2023-03-17","02:29:53",""
"7246464","8.9262","0.0004","9.3131","0.0004","11.4785","0.0005","87.538","0.004","85.441","0.004","68.748","0.003","886.41","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","1","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.0426","0.038","","","0.1018","0.1054","","","","","","1.04","","","","has coordinates","281927","2023-03-17","02:29:54",""
"7246465","13.6519","0.0004","13.7225","0.0005","26.126","0.0008","90","","90.899","0.003","90","","4893.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Co N4 O4 -","- C28 H26 Co N4 O4 -","- C224 H208 Co8 N32 O32 -","8","2","","Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna","Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes","RSC Advances","2023","13","13","8830","8843","10.1039/D2RA07089H","","x-ray","0.71073","MoKα","","0.106","0.0556","","","0.1072","0.1288","","","","","","1.027","","","","has coordinates","281927","2023-03-17","02:29:54",""
"7246476","18.2551","0.0009","4.7699","0.0002","19.5922","0.0009","90","","98.785","0.005","90","","1685.98","0.14","150","2","149.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C72 H80 Cu4 N8 O16 -","4","1","","Gautam, Chiteri; Srivastava, Devyani; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Sharma, Vinod K.; Chauhan, Ratna; Late, Dattatray J.; Kumar, Abhinav; Muddassir, Mohd.","Copper(ii) and cobalt(iii) Schiff base complexes with hydroxy anchors as sensitizers in dye-sensitized solar cells (DSSCs)","RSC Advances","2023","13","13","9046","9054","10.1039/D3RA00344B","","x-ray","0.71073","MoKα","","0.048","0.033","","","0.0752","0.0826","","","","","","1.024","","","","has coordinates","281954","2023-03-21","02:14:15",""
"7246498","10.7397","0.0008","10.9415","0.0009","16.0325","0.0012","88.444","0.003","72.754","0.003","70.469","0.003","1690.3","0.2","120","2","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O -","- C19 H25 N3 O -","- C76 H100 N12 O4 -","4","2","","Al-Rashdi, Kamelah S.; Babgi, Bandar A.; Ali, Ehab M. M.; Jedidi, Abdesslem; Emwas, Abdul-Hamid M.; Davaasuren, Bambar; Jaremko, Mariusz; Humphrey, Mark G.","Tuning anticancer properties and DNA-binding of Pt(ii) complexes via alteration of nitrogen softness/basicity of tridentate ligands","RSC Advances","2023","13","14","9333","9346","10.1039/D3RA00395G","","x-ray","0.71073","MoKα","","0.0625","0.0465","","","0.1163","0.1318","","","","","","1.046","","","","has coordinates","281975","2023-03-22","02:27:16",""
"7246499","9.581","0.0009","12.8164","0.0013","19.359","0.002","89.075","0.004","84.551","0.003","77.443","0.004","2309.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl]-4-chlorophenol","","- C28 H21 Cl N2 O2 -","- C28 H21 Cl N2 O2 -","- C112 H84 Cl4 N8 O8 -","4","2","","Ahmad, Muhammad Saeed; Siddique, Abu Bakar; Khalid, Muhammad; Ali, Akbar; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Imran, Muhammad; Irfan, Ahmad; Khan, Muhammad Usman; Paixão, Marcio Weber","Synthesis, antioxidant activity, antimicrobial efficacy and molecular docking studies of 4-chloro-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol and its transition metal complexes","RSC Advances","2023","13","14","9222","9230","10.1039/D2RA08327B","","","0.71073","MoKα","","0.0997","0.0503","","","0.1204","0.1466","","","","","","1.015","","","","has coordinates","281976","2023-03-22","02:28:03",""
"7246503","19.669","0.004","7.357","0.0015","17.509","0.004","90","","104.87","0.03","90","","2448.8","1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N4 O2 -","- C30 H26 Co N4 O2 -","- C120 H104 Co4 N16 O8 -","4","0.5","","Rezaei, Mohammad Taher; Keypour, Hassan; Hajari, Saadat; yaghoobi, Fereshteh; Moazzami Farida, Seyed Hamed; Saadati, Masoud; Gable, Robert William","Theoretical and solid-state structures of three new macroacyclic Schiff base complexes and the investigation of their anticancer, antioxidant and antibacterial properties","RSC Advances","2023","13","14","9418","9427","10.1039/D3RA00153A","","","0.71087","Synchrotron","","0.0321","0.0315","","","0.0961","0.0966","","","","","","1.156","","","","has coordinates","281992","2023-03-23","02:22:53",""
"7246549","8.1679","0.0007","14.8501","0.0012","11.1754","0.0011","90","","108.184","0.003","90","","1287.8","0.2","152","2","152","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 P2 Sn2 -","- C22 H36 Cl2 P2 Sn2 -","- C44 H72 Cl4 P4 Sn4 -","2","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0421","0.0351","","","0.0739","0.0759","","","","","","1.331","","","","has coordinates","282171","2023-04-01","01:28:57",""
"7246550","8.8758","0.0003","10.487","0.0003","12.352","0.0004","74.907","0.001","72.207","0.001","67.52","0.001","998","0.06","132","2","132","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","- C26 H40 Cl4 F6 O6 P2 S2 Sn2 -","1","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0171","0.0159","","","0.0373","0.0378","","","","","","1.045","","","","has coordinates,has disorder","282171","2023-04-01","01:29:07",""
"7246551","18.1877","0.0009","11.4015","0.0009","19.3541","0.001","90","","101.731","0.002","90","","3929.6","0.4","222","2","222","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Cl4 O2 P2 Pt Sn2 -","- C30 H52 Cl4 O2 P2 Pt Sn2 -","- C120 H208 Cl16 O8 P8 Pt4 Sn8 -","4","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0379","0.0261","","","0.0507","0.0552","","","","","","1.032","","","","has coordinates,has disorder","282171","2023-04-01","01:29:19",""
"7246552","18.1277","0.0007","11.2789","0.0007","19.2577","0.0009","90","","101.435","0.002","90","","3859.3","0.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Cl4 O2 P2 Pd Sn2 -","- C30 H52 Cl4 O2 P2 Pd Sn2 -","- C120 H208 Cl16 O8 P8 Pd4 Sn8 -","4","0.5","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0178","0.0172","","","0.0433","0.0436","","","","","","1.148","","","","has coordinates,has disorder","282171","2023-04-01","01:29:24",""
"7246553","14.6726","0.0005","30.0339","0.0011","22.3253","0.0006","90","","94.917","0.001","90","","9802","0.6","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Ag Al2 Cl F72 O8 P2 Sn2 -","- C68 H52 Ag Al2 Cl F72 O8 P2 Sn2 -","- C272 H208 Ag4 Al8 Cl4 F288 O32 P8 Sn8 -","4","1","","Müller, Carsten; Schu, Justin; Morgenstern, Bernd; Zimmer, Michael; Schmidtmann, Marc; Schäfer, André","Phosphanyl-substituted tin half-sandwich complexes","RSC Advances","2023","13","15","10249","10253","10.1039/D3RA01384G","","","0.71073","MoKα","","0.0782","0.0637","","","0.1769","0.1927","","","","","","1.026","","","","has coordinates,has disorder","282171","2023-04-01","01:29:37",""
"7246555","12.2982","0.0005","8.7867","0.0003","15.5899","0.0006","90","","109.228","0.004","90","","1590.68","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu I N3 O -","- C16 H15 Cu I N3 O -","- C64 H60 Cu4 I4 N12 O4 -","4","1","","Sethi, Subrat; Jana, Narayan Ch.; Panda, Surajit; Maharana, Suraj Kumar; Bagh, Bidraha","Copper(i)-catalyzed click chemistry in deep eutectic solvent for the syntheses of β-d-glucopyranosyltriazoles","RSC Advances","2023","13","15","10424","10432","10.1039/D3RA01844J","","","0.71073","MoKα","","0.0322","0.0271","","","0.0623","0.0644","","","","","","1.038","","","","has coordinates","282232","2023-04-04","01:24:18",""
"7246556","8.6155","0.0001","13.2164","0.0001","15.0988","0.0001","90","","99.698","0.001","90","","1694.67","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoq","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Wang, Delong; Li, Min; Li, Jing; Fang, Yali; Zhang, Zhijia","Synthesis of 3,4-dihydroisoquinolin-1(2H)-one derivatives and their antioomycete activity against the phytopathogen Pythium recalcitrans","RSC Advances","2023","13","16","10523","10541","10.1039/D3RA00855J","","x-ray","1.54184","CuKα","","0.0388","0.038","","","0.0995","0.1","","","","","","1.041","","","","has coordinates","282233","2023-04-04","01:24:46",""
"7246557","10.1046","0.0004","10.418","0.0003","10.9661","0.0004","97.31","0.0013","99.4725","0.0013","107.454","0.0012","1066.93","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","Chlorofurancembranoid B","","- C20 H35 Cl O4 -","- C20 H35 Cl O4 -","- C40 H70 Cl2 O8 -","2","2","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","0.71073","MoKα","","0.0946","0.0561","","","0.1188","0.1511","","","","","","1.086","","","","has coordinates","282234","2023-04-04","01:25:27",""
"7246558","9.0173","0.0003","10.8659","0.0003","18.6542","0.0006","90","","90","","90","","1827.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sinulariaone","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","1.54178","CuKα","","0.068","0.0601","","","0.1637","0.1772","","","","","","1.264","","","","has coordinates","282234","2023-04-04","01:25:39",""
"7246562","7.3344","0.0002","14.2208","0.0004","24.1002","0.0006","90","","90","","90","","2513.68","0.12","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","A9","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0426","0.0408","","","0.1158","0.1179","","","","","","1.049","","","","has coordinates","282364","2023-04-05","01:15:01",""
"7246563","14.0756","0.0016","14.0756","0.0016","26.584","0.004","90","","90","","90","","5266.9","1.2","273.15","","273.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","A12","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0639","0.062","","","0.1663","0.1702","","","","","","1.095","","","","has coordinates","282364","2023-04-05","01:15:02",""
"7246574","28.207","0.001","6.1502","0.0002","22.3583","0.0007","90","","117.563","0.002","90","","3438.5","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H20 N3 O4.5 -","- C15 H19 N3 O4.5 -","- C120 H152 N24 O36 -","8","2","","Shang, Jia-Huan; Qiao, Yi-Jun; Zhu, Hong-Tao; Wang, Dong; Yang, Chong-Ren; Zhang, Ying-Jun","Discovery of nontriterpenoids from the rot roots of Panax notoginseng with cytotoxicity and their molecular docking study and experimental validation","RSC Advances","2023","13","16","11037","11043","10.1039/D3RA00720K","","","1.54178","CuKα","","0.0435","0.0381","","","0.1152","0.1223","","","","","","0.918","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246575","9.8309","0.0004","9.8954","0.0004","20.6193","0.0007","92.308","0.003","91.398","0.003","107.015","0.003","1915.13","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O6 -","- C21 H21 N3 O6 -","- C84 H84 N12 O24 -","4","2","","Lu, Zhongyu; Chen, Hankun; Mo, Jiaxin; Yuan, Xiaohong; Wang, Dawei; Zheng, Xianhui; Zhu, Wei","Cocrystal of phloretin with isoniazid: preparation, characterization, and evaluation","RSC Advances","2023","13","16","10914","10922","10.1039/D3RA00750B","","x-ray","1.54184","CuKα","","0.0932","0.0878","","","0.2537","0.2574","","","","","","1.044","","","","has coordinates","282496","2023-04-07","01:28:30",""
"7246589","6.9028","0.0005","8.9565","0.0006","10.5916","0.0006","85.62","0.005","85.234","0.005","85.915","0.005","649.27","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H11 Ag2 Cl I2 N2 -","- C6 H11 Ag2 Cl I2 N2 -","- C12 H22 Ag4 Cl2 I4 N4 -","2","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","1.3401270,GaKα","","0.0449","0.0354","","","0.0954","0.1022","","","","","","1.095","","","","has coordinates","282607","2023-04-12","01:22:56",""
"7246590","8.8428","0.0008","9.302","0.0008","10.6838","0.0009","89.565","0.007","87.391","0.007","82.121","0.007","869.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Au Cl N2 -","- C6 H10 Au Cl N2 -","- C24 H40 Au4 Cl4 N8 -","4","2","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","","0.71073","MoKα","","0.0521","0.0494","","","0.1385","0.1408","","","","","","1.088","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7246591","8.1801","0.0005","10.8418","0.0005","11.6849","0.0007","90","","90","","90","","1036.3","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cl Cu N2 -","- C8 H14 Cl Cu N2 -","- C32 H56 Cl4 Cu4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","GaKα","","0.061","0.0454","","","0.1024","0.1072","","","","","","0.961","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246592","14.2028","0.0005","9.0399","0.0003","17.3181","0.0006","90","","101.08","0.003","90","","2182.06","0.13","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Ag Cl3 Hg N4 -","- C16 H28 Ag Cl3 Hg N4 -","- C64 H112 Ag4 Cl12 Hg4 N16 -","4","0.5","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","GaKα","","0.0257","0.0239","","","0.061","0.0618","","","","","","1.058","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246593","15.4741","0.0006","6.5845","0.0003","12.3744","0.0004","90","","106.701","0.003","90","","1207.63","0.08","180","","180","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H14 Ag I N2 -","- C8 H14 Ag I N2 -","- C32 H56 Ag4 I4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","","1.34143","GaKα","","0.0751","0.075","","","0.198","0.1985","","","","","","1.064","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246594","14.584","0.003","8.8898","0.0016","17.322","0.003","90","","103.395","0.014","90","","2184.7","0.7","213","","213","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cl3 Cu Hg N4 -","- C16 H28 Cl3 Cu Hg N4 -","- C64 H112 Cl12 Cu4 Hg4 N16 -","4","0.5","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","0.71073","MoKα","","0.0355","0.0252","","","0.0485","0.0492","","","","","","0.832","","","","has coordinates,has disorder","282607","2023-04-12","01:22:57",""
"7246595","5.72733","0.00003","5.72733","0.00003","28.177","0.0003","90","","90","","120","","800.442","0.01","298","","298","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","ordered hexagonal perovskite","- Ba4 Mn3 O12 Sb -","- Ba4 Mn2.999 O12 Sb1.001 -","- Ba12 Mn8.997 O36 Sb3.003 -","3","0.0833333","","Yan, Xiaohui; Wu, Junkun; Lei, Xiuyun; He, Lunhua; Guo, Wenbin; Kuang, Xiaojun; Yin, Congling","Magnetic clusters and ferromagnetic spin glass in the novel hexagonal perovskite 12R-Ba4SbMn3O12","RSC Advances","2023","13","17","11234","11240","10.1039/D3RA00607G","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","282608","2023-04-12","01:24:09",""
"7246596","14.183","0.0007","10.8572","0.0005","15.1649","0.0007","90","","112.574","0.002","90","","2156.29","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 N10 Ni2 O4 -","- C40 H66 N10 Ni2 O4 -","- C80 H132 N20 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0454","0.0334","","","0.0823","0.0878","","","","","","1.045","","","","has coordinates","282610","2023-04-12","01:26:16",""
"7246597","9.2184","0.0007","18.385","0.0012","11.5306","0.0007","90","","96.09","0.003","90","","1943.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N8 Ni2 O4 -","- C40 H52 N8 Ni2 O4 -","- C80 H104 N16 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0702","0.0453","","","0.0881","0.0966","","","","","","1.089","","","","has coordinates","282610","2023-04-12","01:26:27",""
"7246598","11.489","0.004","14.894","0.005","10.892","0.004","90","","108.741","0.011","90","","1765","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N10 Ni2 O8 -","- C32 H46 N10 Ni2 O8 -","- C64 H92 N20 Ni4 O16 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0582","0.0384","","","0.0755","0.0822","","","","","","1.022","","","","has coordinates","282610","2023-04-12","01:26:31",""
"7246599","11.0841","0.0005","14.703","0.0007","11.4961","0.0005","90","","95.432","0.002","90","","1865.1","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N8 Ni2 O6 -","- C36 H56 N8 Ni2 O6 -","- C72 H112 N16 Ni4 O12 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0716","0.0387","","","0.0775","0.0901","","","","","","1.015","","","","has coordinates,has disorder","282610","2023-04-12","01:26:34",""
"7246600","14.9397","0.0009","16.9091","0.0009","15.1735","0.0009","90","","91.85","0.002","90","","3831.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 N12 Ni2 O4 -","- C34 H56 N12 Ni2 O4 -","- C136 H224 N48 Ni8 O16 -","4","1","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0708","0.0423","","","0.0992","0.1121","","","","","","1.006","","","","has coordinates","282610","2023-04-12","01:26:37",""
"7246601","10.4277","0.0008","19.5733","0.0014","18.0962","0.0013","90","","95.491","0.002","90","","3676.6","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N8 Ni2 O6 -","- C34 H52 N8 Ni2 O6 -","- C136 H208 N32 Ni8 O24 -","4","1","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0848","0.0456","","","0.0913","0.108","","","","","","1.038","","","","has coordinates,has disorder","282610","2023-04-12","01:26:47",""
"7246602","22.299","0.004","19.031","0.003","9.0106","0.0017","90","","93.165","0.007","90","","3818","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 Br4 N16 Ni4 O12 -","- C68 H100 Br4 N16 Ni4 O12 -","- C136 H200 Br8 N32 Ni8 O24 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0602","0.0484","","","0.1323","0.138","","","","","","1.161","","","","has coordinates","282610","2023-04-12","01:26:50",""
"7246603","11.8236","0.0003","18.2885","0.0004","10.8047","0.0002","90","","115.053","0.001","90","","2116.55","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 N14 Ni2 O4 -","- C36 H58 N14 Ni2 O4 -","- C72 H116 N28 Ni4 O8 -","2","0.5","","Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan","Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands","RSC Advances","2023","13","17","11311","11323","10.1039/D3RA00737E","","","0.71073","MoKα","","0.0366","0.0286","","","0.0705","0.0738","","","","","","1.05","","","","has coordinates","282610","2023-04-12","01:27:00",""
"7246627","7.483","0.0003","5.9649","0.0002","55.0355","0.0014","90","","101.485","0.003","90","","2407.34","0.14","160.15","","160.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 S3 -","- C36 H20 S3 -","- C144 H80 S12 -","4","1","","Lou, Yunpeng; Shi, Rui; Yu, Li; Jiang, Ting; Zhang, Haoquan; Zhang, Lifeng; Hu, Yongxu; Ji, Deyang; Sun, Yajing; Li, Jie; Li, Liqiang; Hu, Wenping","A new dithieno[3,2-b:2′,3′-d]thiophene derivative for high performance single crystal organic field-effect transistors and UV-sensitive phototransistors","RSC Advances","2023","13","17","11706","11711","10.1039/D3RA00600J","","","1.54184","CuKα","","0.1216","0.0679","","","0.1344","0.1611","","","","","","1.043","","","","has coordinates","282646","2023-04-15","01:08:24",""
"7246642","8.3713","0.0003","14.0145","0.0004","31.3792","0.0009","90","","90","","90","","3681.4","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br Cl N3 O2 -","- C20 H15 Br Cl N3 O2 -","- C160 H120 Br8 Cl8 N24 O16 -","8","2","","Mahmood, Khalid; Akhter, Zareen; Perveen, Fouzia; Aisha,; Bibi, Muneeba; Ismail, Hammad; Tabassum, Nida; Yousuf, Sammer; Ashraf, Ahmad Raza; Qayyum, Muhammad Abdul","Synthesis, DNA binding and biological evaluation of benzimidazole Schiff base ligands and their metal(ii) complexes","RSC Advances","2023","13","18","11982","11999","10.1039/D3RA00982C","","","1.54178","CuKα","","0.0567","0.043","","","0.084","0.0887","","","","","","1.019","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7246643","10.519","0.002","14.285","0.002","5.349","0.002","90","","90","","90","","803.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 I O S -","- C7 H5 I O S -","- C28 H20 I4 O4 S4 -","4","1","","Kato, Shinzi; Kimura, Masahiro; Komatsu, Yukio; Miyagawa, Kenji; Ishida, Masaru; Ebihara, Masahiro; Niyomura, Osamu; Nakanishi, Waro; Hayashi, Satoko","Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations","RSC Advances","2023","13","18","12035","12049","10.1039/D3RA00646H","","","0.7107","MoKα","","0.0283","0.0254","","","0.069","0.0702","","","","","","1.174","","","","has coordinates","282688","2023-04-18","01:20:39",""
"7246644","6.4075","0.0001","22.1588","0.0004","13.6261","0.0003","90","","99.777","0.001","90","","1906.57","0.06","213","","213","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Lv, Shuaipeng; Li, Qiannan; Sang, Ji-Wei; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Uranyl nitrate as a recyclable homogeneous photocatalyst for selective cross-coupling of N-substituted amines and indoles","RSC Advances","2023","13","18","11929","11937","10.1039/D3RA01037F","","","1.34139","GaKα","","0.0507","0.0426","","","0.1058","0.1134","","","","","","1.066","","","","has coordinates","282689","2023-04-18","01:21:18",""
"7246645","14.6228","0.0003","12.8248","0.0003","20.8582","0.0005","90","","90","","90","","3911.63","0.15","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Lv, Shuaipeng; Li, Qiannan; Sang, Ji-Wei; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Uranyl nitrate as a recyclable homogeneous photocatalyst for selective cross-coupling of N-substituted amines and indoles","RSC Advances","2023","13","18","11929","11937","10.1039/D3RA01037F","","","1.54178","cukα","","0.0833","0.0554","","","0.1294","0.1499","","","","","","1.015","","","","has coordinates","282689","2023-04-18","01:21:19",""
"7246656","5.085","0.001","11.293","0.002","11.036","0.002","90","","92.76","0.03","90","","633","0.2","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cu N2 O6 -","- C11 H14 Cu N2 O6 -","- C22 H28 Cu2 N4 O12 -","2","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Highly enhanced electrocatalytic OER activity of water-coordinated copper complexes: effect of lattice water and bridging ligand","RSC Advances","2023","13","18","12065","12071","10.1039/D3RA01186K","","","0.63","synchrotron","","0.069","0.0627","","","0.1704","0.1746","","","","","","1.064","","","","has coordinates","282718","2023-04-19","02:07:05",""
"7246663","6.4063","0.0004","14.273","0.0009","13.2376","0.001","90","","90.298","0.003","90","","1210.39","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl4 Fe N2 -","- C6 H9 Cl4 Fe N2 -","- C24 H36 Cl16 Fe4 N8 -","4","1","","Ghoudi, A.; Ben Brahim, Kh.; Ghalla, H.; Lhoste, J.; Auguste, S.; Khirouni, K.; Aydi, A.; Oueslati, A.","Crystal structure and optical characterization of a new hybrid compound, C6H9N2FeCl4, with large dielectric constants for field-effect transistors","RSC Advances","2023","13","19","12844","12862","10.1039/D3RA01239E","","","0.71073","MoKα","","0.0634","0.032","","","0.0842","0.1032","","","","","","1.032","","","","has coordinates","282844","2023-04-26","01:11:23",""
"7246675","6.811","0.0004","9.5833","0.0006","10.5124","0.0007","90","","105.512","0.007","90","","661.17","0.08","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","282874","2023-04-27","01:17:14",""
"7246676","6.8217","0.0005","9.5882","0.0006","10.5206","0.0008","90","","105.445","0.008","90","","663.28","0.09","373","0.1","373","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","x-ray","0.71073","MoKα","","0.0475","0.0431","","","0.104","0.1066","","","","","","1.045","","","","has coordinates","282875","2023-04-27","01:17:36",""
"7246677","6.8176","0.0005","9.5857","0.0006","10.5127","0.0008","90","","105.512","0.008","90","","662","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","282876","2023-04-27","01:17:53",""
"7246678","6.8195","0.0005","9.5837","0.0006","10.5199","0.0008","90","","105.504","0.008","90","","662.52","0.09","348","0.1","348","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Rong, Wanling; Liu, Fuan; Wang, Xiangmei; Sun, Youxuan; Gao, Zeliang; Tao, Xutang","Crystal growth and negative thermal expansion properties of a Y2Mo4O15 single crystal","RSC Advances","2023","13","19","13006","13013","10.1039/D3RA01320K","","x-ray","0.71073","MoKα","","0.0505","0.0461","","","0.1125","0.1152","","","","","","1.04","","","","has coordinates","282877","2023-04-27","01:18:09",""
"7246694","8.146","0.003","10.585","0.005","12.953","0.006","107.404","0.014","99.533","0.012","106.007","0.013","986.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N6 O8 V2 -","- C40 H48 N6 O8 V2 -","- C40 H48 N6 O8 V2 -","1","0.5","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.1029","0.0636","","","0.1715","0.1924","","","","","","1.046","","","","has coordinates","282916","2023-04-29","01:08:25",""
"7246695","9.8512","0.0006","11.5664","0.0008","15.7394","0.001","94.283","0.005","99.404","0.004","102.695","0.004","1714.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.0977","0.0525","","","0.1113","0.1337","","","","","","1.042","","","","has coordinates,has disorder","282916","2023-04-29","01:08:29",""
"7246696","5.8707","0.0019","11.414","0.004","12.565","0.004","86.627","0.011","77.937","0.01","87.756","0.011","821.6","0.5","","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cu N3 O2 -","- C19 H21 Cu N3 O2 -","- C38 H42 Cu2 N6 O4 -","2","1","","Das, Jayanta; Ta, Sabyasachi; Salam, Noor; Das, Sudipta; Ghosh, Subhasis; Das, Debasis","Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis","RSC Advances","2023","13","19","13195","13205","10.1039/D3RA00702B","","","0.71073","MoKα","","0.0992","0.0775","","","0.1988","0.2281","","","","","","1.0406","","","","has coordinates","282916","2023-04-29","01:09:16",""
"7246697","6.9044","0.0006","6.9108","0.0005","13.8175","0.0011","91.301","0.003","100.548","0.003","103.119","0.003","629.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N3 O2 -","- C14 H10 Cl N3 O2 -","- C28 H20 Cl2 N6 O4 -","2","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","0.71073","MoKα","","0.0433","0.0337","","","0.0836","0.0891","","","","","","1.031","","","","has coordinates","282918","2023-04-29","01:11:10",""
"7246698","8.7768","0.0009","8.9125","0.0009","15.8094","0.0016","90","","90","","90","","1236.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0762","","","","","","1.069","","","","has coordinates","282918","2023-04-29","01:11:15",""
"7246699","9.9716","0.0003","13.6586","0.0004","11.3692","0.0003","90","","93.54","0.001","90","","1545.51","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","1.54178","CuKα","","0.0572","0.0455","","","0.1049","0.1171","","","","","","1.06","","","","has coordinates","282918","2023-04-29","01:11:15",""
"7246700","10.079","0.0008","7.1417","0.0005","17.9545","0.0013","90","","91.403","0.003","90","","1292","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F N3 O2 -","- C14 H10 F N3 O2 -","- C56 H40 F4 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","0.71073","MoKα","","0.0534","0.0398","","","0.1019","0.109","","","","","","1.041","","","","has coordinates","282918","2023-04-29","01:11:16",""
"7246717","18.0503","0.0011","10.1185","0.0006","14.6269","0.0008","90","","106.83","0.002","90","","2557.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I8 N2 Te -","- C10 H12 I8 N2 Te -","- C40 H48 I32 N8 Te4 -","4","0.5","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.0547","0.06","","","","","","1.086","","","","has coordinates","282977","2023-05-04","01:18:50",""
"7246718","9.4074","0.0003","11.5528","0.0004","13.8021","0.0004","81.711","0.001","79.847","0.001","69.01","0.001","1373.2","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 I10 N4 Te -","- C8 H10 I10 N4 Te -","- C16 H20 I20 N8 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0401","0.0405","","","","","","1.327","","","","has coordinates","282977","2023-05-04","01:19:03",""
"7246719","7.0961","0.0003","7.8772","0.0003","11.4958","0.0005","95.461","0.002","99.379","0.002","107.782","0.002","596.48","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H7 Cl I3 N O -","- C5 H7 Cl I3 N O -","- C10 H14 Cl2 I6 N2 O2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0479","0.0264","","","0.0512","0.0582","","","","","","1.025","","","","has coordinates","282977","2023-05-04","01:19:06",""
"7246720","22.6882","0.0007","7.0484","0.0002","15.6003","0.0005","90","","101.865","0.001","90","","2441.43","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Br I3 N O -","- C5 H7 Br I3 N O -","- C40 H56 Br8 I24 N8 O8 -","8","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0345","0.0223","","","0.037","0.0399","","","","","","1.014","","","","has coordinates","282977","2023-05-04","01:19:08",""
"7246721","22.8618","0.0008","7.1336","0.0002","15.7192","0.0006","90","","103.22","0.001","90","","2495.66","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 I4 N O -","- C5 H7 I4 N O -","- C40 H56 I32 N8 O8 -","8","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0213","0.0167","","","0.0351","0.0367","","","","","","1.074","","","","has coordinates","282977","2023-05-04","01:19:11",""
"7246722","8.9408","0.0003","9.9568","0.0004","19.7612","0.0008","103.006","0.001","96.657","0.001","90.281","0.001","1701.62","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 I9 N3 Te -","- C15 H15 Cl3 I9 N3 Te -","- C30 H30 Cl6 I18 N6 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0543","0.034","","","0.0485","0.0525","","","","","","1.06","","","","has coordinates","282977","2023-05-04","01:19:15",""
"7246723","12.1949","0.0006","14.1651","0.0007","14.3164","0.0007","90","","110.829","0.002","90","","2311.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 I6 N2 Te -","- C10 H10 Br2 I6 N2 Te -","- C40 H40 Br8 I24 N8 Te4 -","4","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0329","0.0208","","","0.0331","0.0362","","","","","","1.063","","","","has coordinates","282977","2023-05-04","01:19:17",""
"7246724","19.0162","0.0014","10.6017","0.0008","14.2508","0.0011","90","","111.154","0.003","90","","2679.4","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H10 Cl2 I8 N2 Te -","- C10 H10 Cl2 I8 N2 Te -","- C40 H40 Cl8 I32 N8 Te4 -","4","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0434","0.0348","","","0.0507","0.0528","","","","","","1.036","","","","has coordinates","282977","2023-05-04","01:19:20",""
"7246725","7.7588","0.0004","11.8319","0.0004","14.2751","0.0008","86.842","0.002","80.992","0.002","78.38","0.001","1267.41","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 I8 N2 O Te -","- C10 H12 I8 N2 O Te -","- C20 H24 I16 N4 O2 Te2 -","2","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","x-ray","0.71073","MoKα","","0.0268","0.0203","","","0.037","0.0387","","","","","","1.056","","","","has coordinates","282977","2023-05-04","01:19:22",""
"7246726","15.0194","0.001","15.0194","0.001","33.038","0.003","90","","90","","120","","6454.3","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H30 I30 N6 Te3 -","- C30 H30 I30 N6 Te3 -","- C90 H90 I90 N18 Te9 -","3","1","","Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.","Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species","RSC Advances","2023","13","20","13477","13492","10.1039/D3RA00996C","","","0.71073","MoKα","","0.03","0.0242","","","0.0433","0.0448","","","","","","1.035","","","","has coordinates,has disorder","282977","2023-05-04","01:19:22",""
"7246727","9.28689","0.00016","5.36668","0.00008","23.7254","0.0004","90","","93.097","0.0008","90","","1180.74","0.03","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C54 H56 N4 O10 -","2","1","","Bhargavi, Dodda; Konduri, Srihari; Prashanth, Jyothi; Pulipati, Sowjanya; Praneeth, K. K.; Sireesha, Malladi; Rao, Koya Prabhakara","Synthesis and identification of new sacubitril derivatives as lead compounds for antibacterial, antifungal and antitubercular (TB) activities against dormant tuberculosis","RSC Advances","2023","13","20","13540","13546","10.1039/D3RA00713H","","","0.71073","MoKα","","0.0981","0.0541","","","0.1242","0.1486","","","","","","1.027","","","","has coordinates","282978","2023-05-04","01:20:52",""
"7246728","9.4952","0.0008","10.2127","0.001","10.9","0.0009","81.603","0.008","88.316","0.007","63.297","0.009","933.35","0.16","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 F10 Si -","- C18 H10 F10 Si -","- C36 H20 F20 Si2 -","2","1","","Alluhaibi, Lulu; Brisdon, Alan; Klejna, Sylwia; Muneer, Abeer","Synthesis and characterisation of new silicon–perfluoropropenyl compounds","RSC Advances","2023","13","20","13547","13555","10.1039/D3RA01353G","","x-ray","0.71073","MoKα","","0.0644","0.0483","","","0.0941","0.1003","","","","","","1.0478","","","","has coordinates","282979","2023-05-04","01:21:25",""
"7246763","14.1256","0.0005","23.1528","0.0007","28.0634","0.0007","90","","90","","90","","9178.1","0.5","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70 H110 Co2 Mn4 N4 O22 -","- C70 H110 Co2 Mn4 N4 O22 -","- C280 H440 Co8 Mn16 N16 O88 -","4","0.5","","Yang, ZhiWei; Du, LongChao","Novel Mn4-Co2 nanocluster@photosensitizers/SalenCo(iii) catalyze the copolymerization of carbon dioxide and propylene oxide","RSC Advances","2023","13","20","13930","13939","10.1039/D3RA01742G","","x-ray","1.54186","CuKα","","0.0841","0.0599","","","0.1449","0.1618","","","","","","1.044","","","","has coordinates,has disorder","283671","2023-05-11","01:03:15",""
"7246764","6.5468","0.0007","16.2047","0.0016","27.749","0.003","90","","90","","90","","2943.9","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl O3 P -","- C31 H38 Cl O3 P -","- C124 H152 Cl4 O12 P4 -","4","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1602","0.074","","","0.1692","0.2052","","","","","","0.874","","","","has coordinates","283672","2023-05-11","01:04:20",""
"7246765","9.3136","0.0008","10.1805","0.0009","9.9531","0.0008","90","","111.262","0.004","90","","879.49","0.13","298.15","","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O P -","- C18 H27 O P -","- C36 H54 O2 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1343","0.0873","","","0.1699","0.1846","","","","","","1.102","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246766","12.7102","0.0011","5.9519","0.0005","18.9788","0.0018","90","","99.214","0.002","90","","1417.2","0.2","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl O2 P -","- C27 H38 Cl O2 P -","- C54 H76 Cl2 O4 P2 -","2","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1743","0.1149","","","0.2925","0.3311","","","","","","0.989","","","","has coordinates","283672","2023-05-11","01:04:22",""
"7246780","6.1976","0.0008","12.1637","0.0013","12.652","0.0013","107.828","0.009","102.923","0.01","104.503","0.011","831.07","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 O4 P -","- C18 H19 O4 P -","- C36 H38 O8 P2 -","2","1","","Zhang, Yulong; Guo, Huichuang; Wu, Qian; Bi, Xiaojing; Shi, Enxue; Xiao, Junhua","Stereoselective synthesis of (E)-α,β-unsaturated esters: triethylamine-catalyzed allylic rearrangement of enol phosphates","RSC Advances","2023","13","20","13511","13515","10.1039/D3RA02430J","","x-ray","1.54184","CuKα","","0.106","0.0931","","","0.2526","0.2603","","","","","","1.113","","","","has coordinates","283709","2023-05-12","01:19:45",""
"7246791","10.428","0.006","30.79","0.016","11.823","0.006","90","","98.347","0.005","90","","3756","3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 Cl6 O8 -","- C72 H62 Cl6 O8 -","- C144 H124 Cl12 O16 -","2","0.5","","Tian, Yuan-Hong; Qin, Han; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Water soluble macrocyclic host for recognition of N-methylquinolinium salts in water","RSC Advances","2023","13","21","14539","14542","10.1039/D3RA02447D","","","0.71073","MoKα","","0.19","0.0896","","","0.2601","0.3254","","","","","","1.018","","","","has coordinates","283800","2023-05-16","01:17:24",""
"7246792","9.3901","0.0008","15.1733","0.0008","16.2514","0.0007","73.186","0.004","77.982","0.005","87.462","0.005","2167.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","2","","Pan, Feng; Li, Haohu; Wang, Xiaohua; Luo, Liwen; Lin, Yanfei; Yu, Qingkai; Xie, Wenlin; Zhang, Lianpeng","Synthesis of sulfur-containing benzo[b]pyrrolo[2,1-c][1,4]oxazine-3,9-diones: blue light promoted radical cyclization process","RSC Advances","2023","13","20","13911","13918","10.1039/D3RA02247A","","x-ray","0.71073","MoKα","","0.1025","0.0507","","","0.0882","0.1053","","","","","","0.944","","","","has coordinates","283801","2023-05-16","01:17:50",""
"7246793","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","283802","2023-05-16","01:18:59",""
"7246794","5.1765","","5.1765","","8.5758","","90","","90","","120","","199.011","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Strontium Dialuminate - Ht","","- Al2 O4 Sr -","- Al2 O6 Sr -","- Al4 O12 Sr2 -","2","0.166667","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","","","","0.0238","","","","","","","","","","","","","","","has coordinates","283802","2023-05-16","01:19:02",""
"7246795","11.215","","11.215","","11.215","","90","","90","","90","","1410.58","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","Thulium Magnesium (5/24)","","- Mg24 Tm5 -","- Mg24 Tm5 -","- Mg48 Tm10 -","2","0.0416667","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","","","","","","","","","","","","","","","","","","","has coordinates","283802","2023-05-16","01:19:05",""
"7246796","5.2677","0.0005","13.3025","0.0013","14.7833","0.0014","90","","96.049","0.001","90","","1030.15","0.17","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 N2 O8 P2 Zn -","- C3 H13 N2 O8 P2 Zn -","- C12 H52 N8 O32 P8 Zn4 -","4","1","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","0.71073","MoKα","","0.0366","0.029","","0.0916","0.0783","","","","1.127","1.033","1.033","","","","","has coordinates","283802","2023-05-16","01:19:08",""
"7246820","7.2016","0.0005","18.2857","0.0012","18.8379","0.0013","90","","97.855","0.003","90","","2457.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O8 -","- C26 H24 N4 O8 -","- C104 H96 N16 O32 -","4","1","","Bawa, Rashim; Negi, Swati; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni2+ and PPi","RSC Advances","2023","13","23","15391","15400","10.1039/D3RA02021E","","","0.71073","MoKα","","0.146","0.1","","","0.2492","0.2784","","","","","","1.258","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7246821","16.418","0.006","19.301","0.007","35.287","0.012","82.233","0.008","90","","90","","11079","7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H43 N8 Ni O16.5 -","- C52 H42.25 N8 Ni O16.5 -","- C416 H338 N64 Ni8 O132 -","8","4","","Bawa, Rashim; Negi, Swati; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni2+ and PPi","RSC Advances","2023","13","23","15391","15400","10.1039/D3RA02021E","","","0.71073","MoKα","","0.5508","0.2187","","","0.3081","0.3936","","","","","","1.168","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7246845","11.4572","0.0004","18.7701","0.0007","11.9458","0.0005","90","","98.041","0.004","90","","2543.72","0.17","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","2","","Bao, Xiaobo; Yu, Wei; Wang, Lilin; Dong, Xu; Wang, Guoli; Chen, Weilin; Li, Fei; Chen, Dongyin","Synthesis of 4-aryl-3,4-dihydrocoumarins and 4-aryl-4H-chromenes via Er(OTf)3-catalyzed cascade reactions of p-quinone methides with 1,3-dicarbonyl compounds","RSC Advances","2023","13","23","15942","15946","10.1039/D3RA02267F","","x-ray","1.54184","CuKα","","0.0875","0.0798","","","0.2223","0.2385","","","","","","1.071","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246846","18.6928","0.0002","14.6757","0.0001","21.8092","0.0003","90","","99.363","0.001","90","","5903.21","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1","","- C32 H42 O4 -","- C32 H42 O4 -","- C256 H336 O32 -","8","1","","Bao, Xiaobo; Yu, Wei; Wang, Lilin; Dong, Xu; Wang, Guoli; Chen, Weilin; Li, Fei; Chen, Dongyin","Synthesis of 4-aryl-3,4-dihydrocoumarins and 4-aryl-4H-chromenes via Er(OTf)3-catalyzed cascade reactions of p-quinone methides with 1,3-dicarbonyl compounds","RSC Advances","2023","13","23","15942","15946","10.1039/D3RA02267F","","x-ray","1.54184","CuKα","","0.0577","0.053","","","0.1516","0.1558","","","","","","1.105","","","","has coordinates","284037","2023-05-27","01:29:47",""
"7246855","14.4736","0.0012","7.8609","0.0006","17.8444","0.0016","90","","106.052","0.009","90","","1951.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O2 -","- C22 H18 Cl N3 O2 -","- C88 H72 Cl4 N12 O8 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0763","0.0676","","","0.2005","0.2202","","","","","","1.06","","","","has coordinates","284116","2023-06-01","01:07:03",""
"7246856","10.4688","0.0005","10.5163","0.0005","18.8519","0.001","90","","100.789","0.005","90","","2038.78","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C104 H80 N16 O4 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0623","0.0551","","","0.1496","0.1619","","","","","","1.064","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246857","10.4658","0.0008","9.9343","0.0008","43.524","0.003","90","","90","","90","","4525.2","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C208 H216 N40 O16 -","8","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0573","0.0537","","","0.1503","0.1551","","","","","","1.041","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246858","12.2765","0.0007","14.1241","0.0008","10.5227","0.0005","90","","105.977","0.006","90","","1754.1","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0572","0.0497","","","0.1305","0.1398","","","","","","1.035","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246859","22.9964","0.001","22.9964","0.001","14.1407","0.0017","90","","90","","90","","7478.1","1","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H20 N4 O -","- C22 H20 N4 O -","- C352 H320 N64 O16 -","16","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0562","0.0506","","","0.1371","0.1453","","","","","","1.041","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246860","27.2148","0.0009","13.102","0.0004","28.9686","0.0011","90","","114.483","0.004","90","","9400.5","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C86 H132 F6 N16 O10 S -","- C86 H132 F6 N16 O10 S -","- C344 H528 F24 N64 O40 S4 -","4","0.5","","Gogoi, Anamika; Dutta, Dipjyoti; Gil-Hernández, Beatriz; Dey, Sandeep Kumar","Anion-exchange facilitated selective extraction of sulfate and phosphate by overcoming the Hofmeister bias","RSC Advances","2023","13","24","16185","16195","10.1039/D3RA01771K","","","1.54184","CuKα","","0.0941","0.0778","","","0.2522","0.2821","","","","","","1.021","","","","has coordinates,has disorder","284117","2023-06-01","01:07:52",""
"7246945","9.2609","0.0001","10.8518","0.0002","11.3998","0.0002","73.331","0.001","86.722","0.001","83.724","0.001","1090.53","0.03","170","2","170.01","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 F3 -","- C30 H21 F3 -","- C60 H42 F6 -","2","1","","Wei, Dong; Lu, Han-Yu; Miao, Han-Zhe; Feng, Chen-Guo; Lin, Guo-Qiang; Liu, Yingbin","Pd-catalyzed intermolecular consecutive double Heck reaction ""on water"" under air: facile synthesis of substituted indenes.","RSC advances","2023","13","28","19312","19316","10.1039/d3ra03510g","","","1.34139","GaKα","","0.0526","0.046","","","0.1137","0.1194","","","","","","1.031","","","","has coordinates","284675","2023-06-29","14:37:41",""
"7246946","11.8078","0.0005","6.2764","0.0003","15.6415","0.0006","90","","109.362","0.001","90","","1093.64","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C48 H44 Cl2 N6 O6 -","2","1","","Jiaping, Jin; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Chiral spirocyclic phosphoric acid-catalyzed enantioselective synthesis of heterotriarylmethanes bearing an amino acid moiety.","RSC advances","2023","13","27","18964","18973","10.1039/d3ra03480a","","","0.71073","MoKα","","0.0483","0.0396","","","0.0847","0.0898","","","","","","1.08","","","","has coordinates","284676","2023-06-29","14:38:32",""
"7246947","13.2771","0.0017","13.848","0.0018","15.682","0.002","67.397","0.005","68.276","0.005","78.741","0.005","2468.1","0.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H89 B2 N Ni P2 -","- C49 H89 B2 N Ni P2 -","- C98 H178 B4 N2 Ni2 P4 -","2","1","","Austen, Brady J. H.; Clapson, Marissa L.; Drover, Marcus W.","Reactions of nickel boranyl compounds with pnictogen-carbon triple bonds.","RSC advances","2023","13","28","19158","19163","10.1039/d3ra02797j","","","0.71073","MoKα","","0.0534","0.0419","","","0.1124","0.126","","","","","","1.11","","","","has coordinates","284677","2023-06-29","14:39:47",""
"7246948","13.4649","0.0006","17.1481","0.0008","13.2881","0.0006","90","","96.195","0.0006","90","","3050.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Cl10 N6 O Pb2 -","- C12 H38 Cl10 N6 O Pb2 -","- C48 H152 Cl40 N24 O4 Pb8 -","4","1","","Zhang, Jie; Sun, Kai-Qi; Zhang, Zhong-Hui; Wang, Ri-Cheng; Lin, Zi-Han; Lei, Xiao-Wu; Wang, Yu-Yin; Ju, Ping; He, Yuan-Chun","Enhanced stability and tunable photoluminescence in Mn<sup>2+</sup>-doped one-dimensional hybrid lead halide perovskites for high-performance white light emitting diodes.","RSC advances","2023","13","28","19039","19045","10.1039/d3ra02813e","","","0.71073","MoKα","","0.0322","0.0234","","","0.0488","0.0511","","","","","","1.029","","","","has coordinates","284678","2023-06-29","14:40:47",""
"7246959","13.5903","0.0013","6.6575","0.0006","13.8833","0.0013","90","","100.193","0.001","90","","1236.3","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,6R,7R,E)-7-((4-bromobenzoyl)oxy)-6-methoxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-4-ene-2,3-diyl diacetate","","- C24 H27 Br O9 -","- C24 H27 Br O9 -","- C48 H54 Br2 O18 -","2","1","","Elshamy, Abdelsamed I.; Mohamed, Tarik A.; Swapana, Ningombam; Kasai, Yusuke; Noji, Masaaki; Efferth, Thomas; Imagawa, Hiroshi; Hegazy, Mohamed-Elamir F.; Umeyama, Akemi","Ternifolipyrons A–J: new cytotoxic α-pyrones from Isodon ternifolius (D. Don) Kudô","RSC Advances","2023","13","29","19710","19720","10.1039/D3RA03146B","","","0.71073","MoKα","","0.0284","0.0251","","","0.0582","0.0592","","","","","","0.937","","","","has coordinates","284725","2023-06-30","01:13:58",""
"7246965","10.45569","0.00014","19.7033","0.0004","13.0905","0.0002","90","","100.125","0.0014","90","","2654.8","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H19 B F4 Mo O2 S2 -","- C13 H19 B F4 Mo O2 S2 -","- C78 H114 B6 F24 Mo6 O12 S12 -","6","3","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0991","0.1003","","","","","","1.064","","","","has coordinates,has disorder","284738","2023-07-01","01:08:09",""
"7246966","8.2411","0.0001","12.0733","0.0002","18.5383","0.0003","90","","94.878","0.001","90","","1837.83","0.05","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 B F4 Mo O2 S2 -","- C15 H21 B F4 Mo O2 S2 -","- C60 H84 B4 F16 Mo4 O8 S8 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0252","0.0239","","","0.0592","0.0599","","","","","","1.049","","","","has coordinates","284738","2023-07-01","01:08:09",""
"7246967","10.8954","0.0001","10.3231","0.0001","14.5137","0.0001","90","","90.398","0.001","90","","1632.38","0.02","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 Mo N2 O5 S -","- C12 H11 F3 Mo N2 O5 S -","- C48 H44 F12 Mo4 N8 O20 S4 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0165","0.0157","","","0.0399","0.0403","","","","","","1.067","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246968","13.2549","0.0006","14.9295","0.0008","16.5899","0.0008","90","","90","","90","","3283","0.3","150","2","150","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C11 H17 B F4 Mo O2 S2 -","- C11 H17 B F4 Mo O2 S2 -","- C88 H136 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0508","0.0458","","","0.1052","0.1085","","","","","","1.08","","","","has coordinates,has disorder","284738","2023-07-01","01:08:10",""
"7246969","14.4687","0.0006","9.4064","0.0004","12.9891","0.0006","90","","108.546","0.002","90","","1675.99","0.13","150","2","150","2","","","","","","","synthesized by the authors","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 B F4 Mo N O2 S -","- C13 H16 B F4 Mo N O2 S -","- C52 H64 B4 F16 Mo4 N4 O8 S4 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.033","0.0298","","","0.0722","0.0744","","","","","","1.086","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246970","7.4092","0.0001","17.2813","0.0001","16.2089","0.0001","90","","99.937","0.001","90","","2044.26","0.03","99.99","0.1","99.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H22 B Cl F4 Mo O3 S2 -","- C15.5 H22 B Cl F4 Mo O3 S2 -","- C62 H88 B4 Cl4 F16 Mo4 O12 S8 -","4","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0368","0.0363","","","0.0843","0.0845","","","","","","1.274","","","","has coordinates,has disorder","284738","2023-07-01","01:08:10",""
"7246971","13.9423","0.0001","12.2959","0.0001","23.7796","0.0002","90","","105.945","0.001","90","","3919.77","0.06","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H19 B F4 Mo O2 S2 -","- C17 H19 B F4 Mo O2 S2 -","- C136 H152 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0196","0.0195","","","0.0519","0.0519","","","","","","1.076","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246972","20.4942","0.0007","12.2026","0.0004","15.1267","0.0004","90","","90","","90","","3782.9","0.2","120","2","120","2","","","","","","","synthesized by the authors","7","P b c n","-P 2n 2ab","60","","","","- C18 H19 B F4 O2 S W -","- C18 H19 B F4 O2 S W -","- C144 H152 B8 F32 O16 S8 W8 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","","0.71073","MoKα","","0.0227","0.0218","","","0.0515","0.052","","","","","","1.09","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7246984","8.8538","0.0005","19.1183","0.001","17.5365","0.0008","90","","93.149","0.002","90","","2963.9","0.3","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl4 Co F6 N6 O3 P -","- C23 H22 Cl4 Co F6 N6 O3 P -","- C92 H88 Cl16 Co4 F24 N24 O12 P4 -","4","1","","Moledo Vicente Guedes, Anderson; Sodré de Abreu, Leandro; Maldonado, Igor Antunes Vogel; Fernandes, William Silva; Cardozo, Thiago Messias; A. Allão Cassaro, Rafael; Scarpellini, Marciela; Poneti, Giordano","Valence tautomerism in a cobalt–dioxolene complex containing an imidazolic ancillary ligand","RSC Advances","2023","13","29","20050","20057","10.1039/D3RA03235C","","","0.71073","MoKα","","0.0511","0.0385","","","0.0882","0.0968","","","","","","1.072","","","","has coordinates,has disorder","284804","2023-07-05","01:29:11",""
"7246985","12.945","0.004","15.221","0.005","22.683","0.01","90","","100.93","0.02","90","","4388","3","132.05","","132.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 Co F6 N6 O8 P -","- C31 H42 Co F6 N6 O2 P -","- C124 H168 Co4 F24 N24 O8 P4 -","4","1","","Moledo Vicente Guedes, Anderson; Sodré de Abreu, Leandro; Maldonado, Igor Antunes Vogel; Fernandes, William Silva; Cardozo, Thiago Messias; A. Allão Cassaro, Rafael; Scarpellini, Marciela; Poneti, Giordano","Valence tautomerism in a cobalt–dioxolene complex containing an imidazolic ancillary ligand","RSC Advances","2023","13","29","20050","20057","10.1039/D3RA03235C","","","0.71073","MoKα","","0.1598","0.1015","","","0.2878","0.3425","","","","","","1.0241","","","","has coordinates,has disorder","284804","2023-07-05","01:29:12",""
"7246986","7.2502","0.0008","9.0739","0.0011","12.1019","0.001","100.594","0.009","94.574","0.008","95.976","0.01","774.34","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C40 H30 N2 O4 -","2","1","","Nowak, Patryk; Sikorski, Artur","Structural diversity of cocrystals formed from acridine and two isomers of hydroxybenzaldehyde: 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde","RSC Advances","2023","13","29","20105","20112","10.1039/D3RA02300A","","","0.71073","MoKα","","0.0782","0.0511","","","0.1207","0.1449","","","","","","1.026","","","","has coordinates","284805","2023-07-05","01:30:07",""
"7246987","11.5433","0.0008","10.6297","0.001","12.9034","0.0012","90","","96.365","0.009","90","","1573.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Nowak, Patryk; Sikorski, Artur","Structural diversity of cocrystals formed from acridine and two isomers of hydroxybenzaldehyde: 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde","RSC Advances","2023","13","29","20105","20112","10.1039/D3RA02300A","","","0.71073","MoKα","","0.1411","0.0791","","","0.1635","0.1971","","","","","","1.073","","","","has coordinates","284805","2023-07-05","01:30:21",""
"7246988","13.2752","0.0002","25.1602","0.0004","11.1166","0.0002","90","","104.256","0.001","90","","3598.68","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cu N6 O8 -","- C42 H32 Cu N6 O8 -","- C168 H128 Cu4 N24 O32 -","4","1","","Chettri, Sailesh; Tamang, Sumiran; Pradhan, Kiran; Sinha, Biswajit; Brahman, Dhiraj","Copper borate (CuB4O7)-promoted multi-component green synthesis of 2,4,5-triarylimidazole derivatives and evidence of in situ conversion of copper borate (CuB4O7) into Cu(OAc)2 in the presence of NH4OAc","RSC Advances","2023","13","29","19846","19855","10.1039/D3RA03183G","","","1.54178","CuKα","","0.0549","0.0468","","","0.1221","0.1283","","","","","","1.049","","","","has coordinates","284806","2023-07-05","01:30:59",""
"7246989","6.703","0.0004","9.0452","0.0006","15.009","0.0009","90","","93.234","0.002","90","","908.55","0.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Zhao, Zhen-Zhu; Zhang, Fei; Ji, Bao-Yu; Zhou, Ning; Chen, Hui; Sun, Yan-Jun; Feng, Wei-Sheng; Zheng, Xiao-Ke","Pyrrole alkaloids from the fruiting bodies of edible mushroom <i>Lentinula edodes</i>.","RSC advances","2023","13","27","18223","18228","10.1039/d3ra02672h","","","1.54178","CuKα","","0.0407","0.0397","","","0.1095","0.1107","","","","","","1.056","","","","has coordinates","284815","2023-07-05","06:05:38",""
"7246990","8.8388","0.0003","21.2913","0.0005","10.8389","0.0004","90","","91.297","0.003","90","","2039.25","0.11","95","0.4","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N O5 -","- C24 H22 N O5 -","- C96 H88 N4 O20 -","4","1","","Nasuhipur, Forough; Ghasemi, Zarrin; Poupon, Morgane; Dušek, Michal","POCl<sub>3</sub> mediated one-pot deoxygenative aromatization and electrophilic chlorination of dihydroxy-2-methyl-4-oxo-indeno[1,2-<i>b</i>]pyrroles.","RSC advances","2023","13","26","17812","17816","10.1039/d3ra02515b","","x-ray","1.54184","CuKα","","0.0869","0.0757","","","0.2459","0.2472","","","","4.3015","4.3015","3.776","","","","has coordinates","284816","2023-07-05","06:06:07",""
"7246991","8.5156","0.0016","7.2615","0.0015","20.971","0.004","90","","93.424","0.009","90","","1294.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-amine","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Naseem, Saira; Temirak, Ahmed; Imran, Aqeel; Jalil, Saquib; Fatima, Shamool; Taslimi, Parham; Iqbal, Jamshed; Tasleem, Mussarat; Tahir, Muhammad Nawaz; Shafiq, Zahid","Therapeutic potential of 1,3,4-oxadiazoles as potential lead compounds for the treatment of Alzheimer's disease.","RSC advances","2023","13","26","17526","17535","10.1039/d3ra01953e","","","0.71073","MoKα","","0.0699","0.0545","","","0.147","0.16","","","","","","1.046","","","","has coordinates","284817","2023-07-05","06:06:32",""
"7246992","5.2375","0.0005","18.6453","0.0012","17.8444","0.0013","90","","90.182","0.008","90","","1742.6","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Kumar, Vijay; Singh, Praval Pratap; Dwivedi, Ashish Ranjan; Kumar, Naveen; Kumar, Rajesh; Chandra Sahoo, Subash; Chakraborty, Sudip; Kumar, Vinod","Caesium carbonate promoted regioselective <i>O</i>-functionalization of 4,6-diphenylpyrimidin-2(1<i>H</i>)-ones under mild conditions and mechanistic insight.","RSC advances","2023","13","25","16899","16906","10.1039/d3ra00773a","","x-ray","0.71073","MoKα","","0.1914","0.0636","","","0.1278","0.1764","","","","","","0.9745","","","","has coordinates","284818","2023-07-05","06:08:05",""
"7246993","26.155","0.009","6.9777","0.0018","30.372","0.014","90","","100.04","0.04","90","","5458","4","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H32 Cl N3 O3 -","- C32 H32 Cl N3 O3 -","- C256 H256 Cl8 N24 O24 -","8","2","","Tajik, Maryam; Shiri, Morteza; Hussain, Faiq H. S.; Lotfi Nosood, Yazdanbakhsh; Baeiszadeh, Behnaz; Amini, Zahra; Bikas, Rahman; Pyra, Anna","Highly regioselective and diastereoselective synthesis of novel pyrazinoindolones <i>via</i> a base-mediated Ugi-<i>N</i>-alkylation sequence.","RSC advances","2023","13","25","16963","16969","10.1039/d3ra02065g","","x-ray","1.54184","CuKα","","0.1308","0.0888","","","0.2463","0.278","","","","","","1.057","","","","has coordinates,has disorder","284819","2023-07-05","06:08:31",""
"7247039","7.8022","0.0003","13.8143","0.0006","20.8527","0.0009","90","","90","","90","","2247.54","0.16","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br2 Cl Mn N2 O9 -","- C17 H20 Br2 Cl Mn N2 O9 -","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","4","1","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.0214","0.0199","","","0.0471","0.0477","","","","","","1.048","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7247040","10.626","0.006","11.755","0.007","11.982","0.008","81.815","0.015","67.238","0.015","74.59","0.012","1329.2","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 Cl3 Mn N2 O8 S -","- C21 H26 Cl3 Mn N2 O8 S -","- C42 H52 Cl6 Mn2 N4 O16 S2 -","2","1","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.1406","0.1028","","","0.2774","0.3176","","","","","","1.172","","","","has coordinates","285210","2023-07-14","01:15:11",""
"7247041","15.4932","0.0006","17.3487","0.0007","12.3645","0.0005","90","","123.207","0.001","90","","2780.69","0.19","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C23 H30 Cl Mn N2 O11 S -","- C23 H30 Cl Mn N2 O11 S -","- C92 H120 Cl4 Mn4 N8 O44 S4 -","4","0.5","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.0565","0.0534","","","0.1588","0.1623","","","","","","1.062","","","","has coordinates,has disorder","285210","2023-07-14","01:15:12",""
"7247042","29.4946","0.0009","7.7686","0.0002","25.995","0.0008","90","","120.781","0.001","90","","5117.2","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Cl2 Mn2 N4 O21 -","- C42 H56 Cl2 Mn2 N4 O21 -","- C168 H224 Cl8 Mn8 N16 O84 -","4","0.5","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","","","","0.0642","0.0586","","","0.1847","0.1911","","","","","","1.05","","","","has coordinates","285210","2023-07-14","01:15:12",""
"7247043","9.5389","0.0006","9.7198","0.0005","13.2575","0.0006","90","","90","","90","","1229.19","0.11","123","","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","TB-017","","- C12 H12 Cl2 N P -","- C12 H12 Cl2 N P -","- C48 H48 Cl8 N4 P4 -","4","1","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0255","0.0209","","","0.0463","0.047","","","","","","0.958","","","","has coordinates","285216","2023-07-15","01:01:52",""
"7247044","11.8259","0.001","12.6614","0.0008","12.5663","0.001","90","","110.673","0.006","90","","1760.4","0.2","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","TB053P.K","","- C16 H9 Cl N O5 P W -","- C16 H9 Cl N O5 P W -","- C64 H36 Cl4 N4 O20 P4 W4 -","4","1","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0994","0.0315","","","0.0433","0.0517","","","","","","0.53","","","","has coordinates","285216","2023-07-15","01:01:53",""
"7247045","9.1981","0.0005","14.8394","0.0012","13.0755","0.0008","90","","102.642","0.006","90","","1741.5","0.2","123","","123","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","TB037P.K","","- C16 H10 N O6 P W -","- C16 H10 N O6 P W -","- C64 H40 N4 O24 P4 W4 -","4","0.5","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0915","0.0768","","","0.2047","0.2165","","","","","","1.135","","","","has coordinates,has disorder","285216","2023-07-15","01:01:53",""
"7247062","10.08686","0.00012","12.80881","0.00017","14.06927","0.00018","90","","97.4889","0.0012","90","","1802.25","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((R)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C16 H30 N2 O4 -","- C16 H30 N2 O4 -","- C64 H120 N8 O16 -","4","2","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0805","0.0811","","","","","","1.0525","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7247063","10.09241","0.00017","12.82419","0.00017","14.0647","0.0002","90","","97.4248","0.0016","90","","1805.09","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl 1-((S)-1-(methoxycarbonyl)-2-methylpropyl)piperidin-4-ylcarbamate","","- C16 H30 N2 O4 -","- C16 H30 N2 O4 -","- C64 H120 N8 O16 -","4","2","","Matulevičiūtė, Gita; Kleizienė, Neringa; Račkauskienė, Greta; Martynaitis, Vytas; Bieliauskas, Aurimas; Šachlevičiūtė, Urtė; Jankauskas, Rokas; Bartkus, Martynas R.; Sløk, Frank A.; Šačkus, Algirdas","Facile synthesis of new N-(aminocycloalkylene)amino acid compounds using chiral triflate esters with N-Boc-aminopyrrolidines and N-Boc-aminopiperidines","RSC Advances","2023","13","31","21378","21394","10.1039/D3RA03060A","","x-ray","1.54184","CuKα","","0.0316","0.0309","","","0.0835","0.084","","","","","","1.0518","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7247064","12.0927","0.0004","7.3784","0.0002","21.8294","0.0007","90","","93.39","0.002","90","","1944.32","0.1","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F N3 O2 -","- C25 H22 F N3 O2 -","- C100 H88 F4 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0583","0.0403","","","0.091","0.0995","","","","","","1.034","","","","has coordinates,has disorder","285293","2023-07-20","01:26:09",""
"7247065","21.5323","0.0004","6.9303","0.0001","29.2911","0.0007","90","","93.555","0.001","90","","4362.56","0.15","99.97","","100.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H21 F N4 O4 -","- C25 H21 F N4 O4 -","- C200 H168 F8 N32 O32 -","8","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0482","0.0358","","","0.0897","0.0978","","","","","","1.017","","","","has coordinates","285293","2023-07-20","01:26:10",""
"7247066","12.1596","0.0004","7.4148","0.0003","23.0902","0.0009","90","","96.662","0.002","90","","2067.78","0.13","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F N3 O2 -","- C26 H24 F N3 O2 -","- C104 H96 F4 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0674","0.0423","","","0.0909","0.1021","","","","","","1.008","","","","has coordinates","285293","2023-07-20","01:26:10",""
"7247067","12.1368","0.0003","7.3737","0.0002","22.1506","0.0005","90","","94.506","0.001","90","","1976.2","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 F2 N3 O2 -","- C25 H21 F2 N3 O2 -","- C100 H84 F8 N12 O8 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","x-ray","0.71073","MoKα","","0.0419","0.0394","","","0.1029","0.1056","","","","","","1.042","","","","has coordinates","285293","2023-07-20","01:26:13",""
"7247068","7.222","0.0001","10.4778","0.0002","14.4403","0.0003","75.338","0.001","82.465","0.001","85.928","0.001","1047.18","0.03","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cl F2 N3 O2 -","- C25 H20 Cl F2 N3 O2 -","- C50 H40 Cl2 F4 N6 O4 -","2","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0356","0.0324","","","0.0876","0.0911","","","","","","1.0632","","","","has coordinates,has disorder","285293","2023-07-20","01:26:16",""
"7247069","11.191","0.0003","10.9002","0.0003","25.9816","0.0008","90","","97.846","0.002","90","","3139.67","0.16","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 F Fe N3 O3 -","- C38 H36 F Fe N3 O3 -","- C152 H144 F4 Fe4 N12 O12 -","4","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0466","0.0339","","","0.0772","0.0836","","","","","","1.0469","","","","has coordinates,has disorder","285293","2023-07-20","01:26:19",""
"7247078","5.8122","0.0006","29.731","0.003","6.4123","0.0007","90","","106.167","0.011","90","","1064.2","0.2","294.9","0.5","294.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.068","0.048","","","0.1314","0.1494","","","","","","1.035","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247079","8.7126","0.0001","6.0447","0.0001","10.8452","0.0001","90","","91.972","0.001","90","","570.825","0.013","302.98","0.1","302.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0303","0.0301","","","0.0773","0.0775","","","","","","1.086","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247080","5.8469","0.0002","6.4881","0.0003","15.9753","0.0007","80.106","0.004","85.81","0.003","73.682","0.004","572.77","0.04","302.99","0.1","302.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0479","0.0432","","","0.1299","0.135","","","","","","1.086","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247081","13.5689","0.0006","5.8946","0.0002","14.9692","0.0008","90","","98.919","0.004","90","","1182.81","0.09","302.98","0.1","302.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0661","0.0519","","","0.1523","0.1678","","","","","","1.066","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247082","14.6295","0.0014","6.0707","0.0006","15.0512","0.0017","90","","112.042","0.012","90","","1239","0.2","303.88","0.1","303.88","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0733","0.0552","","","0.1519","0.1638","","","","","","1.087","","","","has coordinates","285306","2023-07-21","01:15:47",""
"7247083","8.2172","0.0002","11.5108","0.0003","16.6802","0.0005","90","","95.056","0.003","90","","1571.58","0.07","282","20","282","20","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0504","0.0429","","","0.1228","0.1283","","","","","","1.091","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247084","8.0697","0.0005","8.4048","0.0004","14.8801","0.0006","85.239","0.004","74.568","0.005","73.318","0.005","931.88","0.09","303.99","0.1","303.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0608","0.046","","","0.1305","0.1417","","","","","","1.076","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247085","5.8609","0.0004","21.0733","0.0011","10.4926","0.0006","90","","94.188","0.005","90","","1292.46","0.13","301.97","0.1","301.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","0.71073","MoKα","","0.0768","0.0469","","","0.125","0.1395","","","","","","1.07","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247086","6.2842","0.0002","13.1283","0.0004","15.8787","0.0003","88.249","0.002","83.997","0.002","79.406","0.003","1280.53","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0661","0.0575","","","0.1705","0.1782","","","","","","1.09","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247087","15.8309","0.0002","16.98433","0.00019","11.3086","0.00015","90","","108.891","0.0015","90","","2876.85","0.07","287.3","0.3","287.3","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","2","","Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui","Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids","RSC Advances","2023","13","30","21021","21035","10.1039/D3RA04102F","","x-ray","1.54184","CuKα","","0.0569","0.0501","","","0.1571","0.1639","","","","","","1.075","","","","has coordinates","285306","2023-07-21","01:15:48",""
"7247088","6.88033","0.00005","8.96243","0.00008","20.89332","0.00015","90","","91.9928","0.0006","90","","1287.6","0.017","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H26 O12 -","- C30 H26 O12 -","- C60 H52 O24 -","2","1","","Zhang, Yiqing; Luo, Luyao; Zhu, Shuaiming; Niu, Shubin; Zhang, Youzhi; Zhang, Yang","Cladoxanthones C–G, xanthone derivatives from Cladosporium sp.","RSC Advances","2023","13","32","21954","21961","10.1039/D3RA04012G","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0627","0.0629","","","","","","1.076","","","","has coordinates","285307","2023-07-21","01:16:41",""
"7247101","7.7917","0.0007","10.5981","0.0009","20.3073","0.0018","90","","90","","90","","1676.9","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H10 N10 -","- C5 H10 N10 -","- C40 H80 N80 -","8","1","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.0814","0.0652","","","0.1575","0.1675","","","","","","1.075","","","","has coordinates","285347","2023-07-26","01:17:26",""
"7247102","22.0613","0.0013","13.9583","0.0008","14.5135","0.0008","90","","95.203","0.001","90","","4450.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H31 Cl4 Cu3 N31 O20 -","- C15 H31 Cl4 Cu3 N31 O20 -","- C60 H124 Cl16 Cu12 N124 O80 -","4","1","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.1327","0.074","","","0.1665","0.2038","","","","","","1.028","","","","has coordinates,has disorder","285347","2023-07-26","01:17:36",""
"7247103","22.1106","0.001","14.1198","0.0007","14.6843","0.0006","90","","94.725","0.001","90","","4568.8","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H156 Cl20 Cu12 N120 O100 -","- C60 H156 Cl20 Cu12 N120 O100 -","- C60 H156 Cl20 Cu12 N120 O100 -","1","0.25","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.0678","0.0429","","","0.089","0.1015","","","","","","1.03","","","","has coordinates,has disorder","285347","2023-07-26","01:17:36",""
"7247112","12.614","0.004","9.373","0.003","14.491","0.004","90","","93.835","0.004","90","","1709.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Br N3 O2 S2 -","- C17 H12 Br N3 O2 S2 -","- C68 H48 Br4 N12 O8 S8 -","4","1","","Yang, Weiguang; Luo, Danyang; Li, Guanrong; Hu, Weigao; Zheng, Jia; Chen, Lanmei","Mild and efficient synthesis of benzothiazolopyrimidine derivatives via CuAAC/ring cleavage/cyclization reaction","RSC Advances","2023","13","33","22966","22972","10.1039/D3RA04082H","","","0.71073","MoKα","","0.0644","0.0413","","","0.093","0.1019","","","","","","1.026","","","","has coordinates","285382","2023-07-29","01:17:09",""
"7247143","3.8278","0.0003","17.1899","0.0006","26.2562","0.0009","90","","90","","90","","1727.64","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 B N3 O3 -","- C20 H17 B N3 O3 -","- C80 H68 B4 N12 O12 -","4","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0923","0.0539","","","0.125","0.1457","","","","","","1.009","","","","has coordinates","285435","2023-08-03","01:22:26",""
"7247144","7.1497","0.0003","8.7492","0.0004","13.6709","0.0006","97.158","0.004","96.96","0.003","95.413","0.004","837.04","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 B N3 O2 -","- C19 H14 B N3 O2 -","- C38 H28 B2 N6 O4 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1235","0.0559","","","0.1385","0.1769","","","","","","1.004","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247145","11.084","0.0008","7.3311","0.0005","21.0913","0.0013","90","","99.007","0.006","90","","1692.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 B N2 O2 -","- C20 H15 B N2 O2 -","- C80 H60 B4 N8 O8 -","4","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1089","0.0514","","","0.1172","0.1528","","","","","","1.007","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247146","14.8728","0.0007","3.8786","0.0002","15.4857","0.0008","90","","115.182","0.005","90","","808.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 B N3 O2 -","- C19 H14 B N3 O2 -","- C38 H28 B2 N6 O4 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0793","0.0579","","","0.1394","0.1579","","","","","","1.007","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247147","8.2777","0.0005","7.1087","0.0004","19.6723","0.0009","90","","95.218","0.002","90","","1152.79","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B2 N6 O4 -","- C24 H20 B2 N6 O4 -","- C48 H40 B4 N12 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0582","0.0457","","","0.1132","0.1249","","","","","","1.005","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247148","3.9427","0.0002","22.693","0.0009","14.9291","0.0006","90","","93.421","0.007","90","","1333.35","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 B2 N4 O4 -","- C28 H26 B2 N4 O4 -","- C56 H52 B4 N8 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.117","0.0601","","","0.1375","0.1699","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247149","8.4431","0.0005","7.3205","0.0004","19.6867","0.0009","90","","93.592","0.004","90","","1214.4","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B2 N4 O4 -","- C26 H22 B2 N4 O4 -","- C52 H44 B4 N8 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.082","0.0465","","","0.1059","0.1278","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:27",""
"7247150","3.8043","0.0003","22.3944","0.0013","14.7329","0.0008","90","","94.107","0.006","90","","1251.95","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 B2 N6 O4 -","- C26 H24 B2 N6 O4 -","- C52 H48 B4 N12 O8 -","2","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0856","0.0584","","","0.1413","0.1601","","","","","","1.006","","","","has coordinates","285435","2023-08-03","01:22:27",""
"7247151","3.8665","0.0002","11.5022","0.0005","15.8177","0.0008","77.285","0.002","86.962","0.004","87.577","0.005","684.91","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 B2 N4 O6.78 -","- C26 H22 B2 N4 O7 -","- C26 H22 B2 N4 O7 -","1","0.5","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1404","0.0738","","","0.1975","0.2325","","","","","","1.008","","","","has coordinates","285435","2023-08-03","01:22:28",""
"7247152","8.8653","0.0003","9.0872","0.0004","12.2227","0.0005","105.549","0.001","108.761","0.003","90.865","0.006","892.67","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 B N5 O3 -","- C17 H16 B N5 O3 -","- C34 H32 B2 N10 O6 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1094","0.0552","","","0.1422","0.1796","","","","","","1.005","","","","has coordinates,has disorder","285435","2023-08-03","01:22:28",""
"7247153","7.547","0.0004","11.5173","0.0007","11.9183","0.0008","99.982","0.005","102.829","0.004","105.296","0.007","944.22","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 B N3 O3 -","- C19 H20 B N3 O3 -","- C38 H40 B2 N6 O6 -","2","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.1079","0.0645","","","0.1651","0.1955","","","","","","1.002","","","","has coordinates,has disorder","285435","2023-08-03","01:22:28",""
"7247157","18.182","0.002","7.2741","0.0007","9.8478","0.001","90","","91.34","0.004","90","","1302.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Br4 N2 Pd -","- C4 H16 Br4 N2 Pd -","- C16 H64 Br16 N8 Pd4 -","4","0.5","","Trabelsi, Kawther; Drissi, Nidhal; Hajlaoui, Fadhel; Zighrioui, Mustapha; Rhaiem, Abdallah; Audebrand, Nathalie; Roisnel, Thierry; Karim, Karoui","[(CH3)2NH2]2PdBr4, a layered hybrid halide perovskite semiconductor with improved optical and electrical properties","RSC Advances","2023","13","33","23348","23358","10.1039/D3RA04085B","","","0.71073","MoKα","","0.0646","0.0535","","","0.1287","0.1377","","","","","","1.117","","","","has coordinates","285456","2023-08-05","01:09:06",""
"7247158","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","285457","2023-08-05","01:11:36",""
"7247159","22.6125","0.0009","27.8441","0.0009","20.3747","0.0007","90","","100.896","0.002","90","","12597.1","0.8","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C192 H246 Cu4 F24 N41 Na O72 Rh8 S8 -","- C180 H208 Cu4 F12 N41 Na O52 Rh8 S4 -","- C360 H416 Cu8 F24 N82 Na2 O104 Rh16 S8 -","2","0.25","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.0994","0.0907","","","0.271","0.2829","","","","","","1.071","","","","has coordinates,has disorder","285457","2023-08-05","01:11:37",""
"7247160","21.8833","0.001","35.6653","0.0018","19.6102","0.0009","90","","96.638","0.002","90","","15202.7","1.2","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C178 H248 Cu4 F18 N32 Na2 O102 Rh8 S6 -","- C166 H180 Cu4 F18 N28 Na2 O50 Rh8 S6 -","- C332 H360 Cu8 F36 N56 Na4 O100 Rh16 S12 -","2","0.25","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.1495","0.1172","","","0.3252","0.3524","","","","","","1.235","","","","has coordinates,has disorder","285457","2023-08-05","01:11:37",""
"7247161","33.6001","0.0009","33.6001","0.0009","33.6001","0.0009","90","","90","","90","","37933.4","1.8","150","2","150","2","","","","","","","","9","I m -3","-I 2 2 3","204","","","","- C194 H244 Cu4 F30 N28 Na2 O82 Rh8 S10 -","- C181.333 H152 Cu4 F16 N28 Na2 O52 Rh8 S5.33333 -","- C1088 H912 Cu24 F96 N168 Na12 O312 Rh48 S32 -","6","0.125","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.053","0.0488","","","0.1526","0.1585","","","","","","1.087","","","","has coordinates","285457","2023-08-05","01:11:37",""
"7247162","49.07","0.002","16.2215","0.0006","40.1203","0.0016","90","","106.9","0.002","90","","30556","2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C182 H232 Cu4 F24 N44 Na2 O82 Rh8 S8 -","- C178 H192 Cu4 F12 N42 Na2 O60 Rh8 S4 -","- C712 H768 Cu16 F48 N168 Na8 O240 Rh32 S16 -","4","0.5","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.54178","CuKα","","0.1201","0.0972","","","0.2602","0.2798","","","","","","1.027","","","","has coordinates","285457","2023-08-05","01:11:37",""
"7247171","7.3455","0.0007","10.4021","0.0009","12.8273","0.001","96.431","0.007","92.558","0.007","101.886","0.008","950.75","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu2 N4 O14 -","- C42 H36 Cu2 N4 O14 -","- C42 H36 Cu2 N4 O14 -","1","0.5","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0544","0.0439","","","0.1158","0.1242","","","","","","1.061","","","","has coordinates","285581","2023-08-08","01:21:43",""
"7247172","8.8603","0.0003","17.4505","0.0005","12.4228","0.0004","90","","97.718","0.003","90","","1903.37","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Co N2 O7 -","- C19 H18 Co N2 O7 -","- C76 H72 Co4 N8 O28 -","4","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54184","CuKα","","0.0497","0.0378","","","0.0937","0.0995","","","","","","1.079","","","","has coordinates","285581","2023-08-08","01:21:54",""
"7247173","38.823","0.004","10.4967","0.0008","18.7612","0.0012","90","","105.531","0.008","90","","7366.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Mn2 N4 O10 -","- C42 H28 Mn2 N4 O10 -","- C336 H224 Mn16 N32 O80 -","8","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54184","CuKα","","0.1554","0.0806","","","0.1956","0.2689","","","","","","0.988","","","","has coordinates","285581","2023-08-08","01:21:58",""
"7247174","9.3015","0.0005","10.1706","0.0006","10.2299","0.0005","68.453","0.005","81.292","0.004","67.661","0.005","832.5","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cd N O8 -","- C14 H17 Cd N O8 -","- C28 H34 Cd2 N2 O16 -","2","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0364","0.0353","","","0.0951","0.0969","","","","","","1.03","","","","has coordinates","285581","2023-08-08","01:22:00",""
"7247175","16.0459","0.0006","12.032","0.0004","19.4535","0.0009","90","","105.9","0.004","90","","3612.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N2 O5 -","- C19 H16 Co N2 O5 -","- C152 H128 Co8 N16 O40 -","8","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0569","0.0421","","","0.1028","0.1132","","","","","","1.048","","","","has coordinates","285581","2023-08-08","01:22:11",""
"7247176","10.0273","0.001","10.0728","0.0009","10.705","0.0014","74.711","0.009","66.547","0.011","76.12","0.008","945.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Co N2 O5 -","- C19 H14 Co N2 O5 -","- C38 H28 Co2 N4 O10 -","2","1","","Fan, Xiao-Xiang; Wang, Hong-Yu; Zhang, Bo; Kang, Xiu-Qi; Gu, Jin-Zhong; Xue, Ji-jun","Six metal–organic architectures from a 5-methoxyisophthalate linker: assembly, structural variety and catalytic features","RSC Advances","2023","13","34","23745","23753","10.1039/D3RA04111E","","","1.54178","CuKα","","0.0639","0.0536","","","0.1351","0.1439","","","","","","1.017","","","","has coordinates","285581","2023-08-08","01:22:12",""
"7247183","9.3875","0.0002","5.3588","0.0001","34.5503","0.0007","90","","92.723","0.002","90","","1736.12","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethoxy-m-bisazobenzene","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","2","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0395","0.036","","","0.0983","0.0998","","","","","","1.125","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7247184","7.109","0.0001","6.3535","0.0001","23.47","0.0006","90","","95.487","0.002","90","","1055.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","1","","Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo","Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density","RSC Advances","2023","13","34","24031","24037","10.1039/D3RA04595A","","x-ray","0.71073","MoKα","","0.0444","0.0412","","","0.1151","0.118","","","","","","0.923","","","","has coordinates","285615","2023-08-11","00:57:38",""
"7247200","8.3198","0.0002","9.8246","0.0002","14.0426","0.0003","90","","90","","90","","1147.82","0.04","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","OIS-S-2021-152","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Seo, Ye Ji; Kim, Eunsil; Oh, In Seok; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun","Intramolecular cyclization of N-cyano sulfoximines by N–CN bond activation","RSC Advances","2023","13","35","24445","24449","10.1039/D3RA04208A","","","0.71073","MoKα","","0.0293","0.0287","","","0.0777","0.078","","","","","","1.034","","","","has coordinates","285654","2023-08-15","01:09:07",""
"7247215","24.7312","0.0008","24.7312","0.0008","9.56","0.0003","90","","90","","120","","5063.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H14 Co0.5 N O3 -","- C9 H14 Co0.5 N O3 -","- C162 H252 Co9 N18 O54 -","18","1","","Tanwar, Deepika; Jain, Priya; Ahluwalia, Deepali; Sudheendranath, Athul; Thomas, Sajesh P.; Ingole, Pravin P.; Kumar, Umesh","A novel cobalt(ii) acetate complex bearing lutidine ligand: a promising electrocatalyst for oxygen evolution reaction","RSC Advances","2023","13","35","24450","24459","10.1039/D3RA04709A","","","0.71073","MoKα","","0.0438","0.0337","","","0.0825","0.0883","","","","","","1.058","","","","has coordinates","285782","2023-08-16","01:15:21",""
"7247226","10.101","0.005","14.304","0.007","15.831","0.008","97.26","0.03","96.87","0.03","109.19","0.03","2111","1.9","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C41 H40 Cl N6 Ni O7 -","- C41 H40 Cl N6 Ni O7 -","- C82 H80 Cl2 N12 Ni2 O14 -","2","2","","Ajaykamal, Tamilarasan; Palaniandavar, Mallayan","Mononuclear nickel(ii)–flavonolate complexes of tetradentate tripodal 4N ligands as structural and functional models for quercetin 2,4-dioxygenase: structures, spectra, redox and dioxygenase activity","RSC Advances","2023","13","35","24674","24690","10.1039/D3RA04834A","","","0.71073","MoKα","","0.2917","0.142","","","0.3222","0.3963","","","","","","1.181","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7247227","8.741","0.0018","11.275","0.003","18.489","0.004","79.476","0.015","79.222","0.013","68.785","0.014","1655.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Ni-tpa-fla, [Ni(L2)(fla)]ClO4,","[Ni(tpa)(fla)]ClO4","","- C33 H27 Cl N4 Ni O9 -","- C33 H27 Cl N4 Ni O9 -","- C66 H54 Cl2 N8 Ni2 O18 -","2","1","","Ajaykamal, Tamilarasan; Palaniandavar, Mallayan","Mononuclear nickel(ii)–flavonolate complexes of tetradentate tripodal 4N ligands as structural and functional models for quercetin 2,4-dioxygenase: structures, spectra, redox and dioxygenase activity","RSC Advances","2023","13","35","24674","24690","10.1039/D3RA04834A","","","0.71073","MoKα","","0.2201","0.0875","","","0.2252","0.3004","","","","","","0.978","","","","has coordinates","285819","2023-08-19","01:07:16",""
"7247236","8.4153","0.0018","12.608","0.003","14.891","0.003","92.688","0.007","97.266","0.007","94.691","0.007","1559.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H33 Br Cl N5 O2 -","- C34 H33 Br Cl N5 O2 -","- C68 H66 Br2 Cl2 N10 O4 -","2","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.1608","0.0597","","","0.1512","0.1975","","","","","","0.924","","","","has coordinates","285844","2023-08-23","01:16:29",""
"7247237","11.52","0.0011","12.909","0.0015","21.274","0.002","90","","93.818","0.007","90","","3156.7","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Br2 N5 O2 -","- C34 H33 Br2 N5 O2 -","- C136 H132 Br8 N20 O8 -","4","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.1537","0.0672","","","0.1541","0.1889","","","","","","0.973","","","","has coordinates","285844","2023-08-23","01:16:30",""
"7247238","12.653","0.003","8.4332","0.0016","28.374","0.005","90","","96.333","0.007","90","","3009.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Br N5 O2 -","- C34 H34 Br N5 O2 -","- C136 H136 Br4 N20 O8 -","4","1","","Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.","Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals","RSC Advances","2023","13","36","25054","25068","10.1039/D3RA04558G","","","0.71075","MoKα","","0.279","0.083","","","0.1484","0.2055","","","","","","0.962","","","","has coordinates","285844","2023-08-23","01:16:30",""
"7247239","6.3288","0.0005","7.701","0.0006","32.103","0.003","90","","90.396","0.002","90","","1564.6","0.2","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Br N2 -","- C16 H19 Br N2 -","- C64 H76 Br4 N8 -","4","1","","Vinayagamoorthy, Raji; Rani, Muthurakku Usha; Kalainathan, Sivaperuman; Anand, Sekar","A novel stilbazolium derivative crystals of 4-[2-(4-dimethyl amino-phenyl)-vinyl]-1-methyl-pyridinium+ bromide− (DMSB) single crystal: exploration of the growth, molecular structure, linear optical, and third order nonlinear properties","RSC Advances","2023","13","36","24867","24877","10.1039/D3RA04322C","","","0.71073","MoKα","","0.0837","0.0674","","","0.2068","0.2231","","","","","","1.066","","","","has coordinates","285845","2023-08-23","01:17:02",""
"7247240","6.7831","0.0001","23.8581","0.0003","23.5997","0.0003","90","","91.608","0.001","90","","3817.68","0.09","292.99","0.11","292.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N4 O4.5 Pt S -","- C17 H12 F3 N4 O4.5 Pt S -","- C136 H96 F24 N32 O36 Pt8 S8 -","8","2","","Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen","Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt","RSC Advances","2023","13","36","24878","24886","10.1039/D3RA03554A","","x-ray","1.54184","CuKα","","0.0406","0.0364","","","0.1038","0.1063","","","","","","1.065","","","","has coordinates","285846","2023-08-23","01:17:37",""
"7247241","13.9994","0.001","19.0666","0.0015","6.7719","0.0005","90","","95.207","0.007","90","","1800.1","0.2","199.98","0.1","199.98","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H11 F3 N4 O4 Pt S -","- C17 H11 F3 N4 O4 Pt S -","- C68 H44 F12 N16 O16 Pt4 S4 -","4","1","","Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen","Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt","RSC Advances","2023","13","36","24878","24886","10.1039/D3RA03554A","","x-ray","1.54178","CuKα","","0.0341","0.0332","","","0.0872","0.0873","","","","","","1.156","","","","has coordinates","285846","2023-08-23","01:17:37",""
"7247243","11.7021","0.0005","11.0081","0.0005","15.3756","0.0007","90","","104.695","0.002","90","","1915.86","0.15","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Au Cl O2 P -","- C20 H17 Au Cl O2 P -","- C80 H68 Au4 Cl4 O8 P4 -","4","1","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.0413","0.0266","","","0.0589","0.0658","","","","","","1.054","","","","has coordinates","285872","2023-08-25","01:16:13",""
"7247244","25.3936","0.0011","11.0814","0.0004","15.6192","0.0006","90","","120.847","0.001","90","","3773.4","0.3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Au Cl O5 P2 -","- C39 H34 Au Cl O5 P2 -","- C156 H136 Au4 Cl4 O20 P8 -","4","0.5","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.0588","0.0388","","","0.0898","0.1019","","","","","","1.065","","","","has coordinates","285872","2023-08-25","01:16:18",""
"7247245","24.9","0.006","16.943","0.003","17.711","0.005","90","","106.237","0.007","90","","7174","3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Au B F24 O4 P2 -","- C72 H46 Au B F24 O4 P2 -","- C288 H184 Au4 B4 F96 O16 P8 -","4","1","","Luciani, Lorenzo; Sargentoni, Nicola; Graiff, Claudia; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Galassi, Rossana","Mechanochemical preparation of strongly emissive monosubstituted triarylphosphane gold(i) compounds activated by hydrogen bonding driven aggregations","RSC Advances","2023","13","36","25425","25436","10.1039/D3RA03681B","","","0.71073","MoKα","","0.1107","0.0523","","","0.1259","0.1524","","","","","","1.018","","","","has coordinates","285872","2023-08-25","01:16:21",""
"7247258","14.4288","0.0006","11.9755","0.0004","8.855","0.0004","90","","105.424","0.004","90","","1474.97","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 N4 O4 Ru -","- C32 H32 Cl2 N4 O4 Ru -","- C64 H64 Cl4 N8 O8 Ru2 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","1.54184","CuKα","","0.0367","0.0333","","","0.0851","0.0878","","","","","","1.044","","","","has coordinates","285903","2023-08-30","01:11:39",""
"7247259","10.8657","0.0002","13.371","0.0002","14.4857","0.0003","112.698","0.001","94.014","0.001","113.094","0.001","1724.14","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl8 N4 Ru -","- C30 H26 Cl8 N4 Ru -","- C60 H52 Cl16 N8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0642","0.0448","","","0.1003","0.1102","","","","","","1.052","","","","has coordinates","285903","2023-08-30","01:11:40",""
"7247260","7.2857","0.0009","13.9992","0.0017","14.5426","0.0018","78.661","0.008","89.453","0.008","84.435","0.008","1447.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl6 N4 Ru -","- C28 H20 Cl6 N4 Ru -","- C56 H40 Cl12 N8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.2127","0.1302","","","0.4114","0.4469","","","","","","1.348","","","","has coordinates","285903","2023-08-30","01:11:40",""
"7247261","13.465","0.0004","12.0716","0.0003","9.4185","0.0003","90","","103.729","0.002","90","","1487.18","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ru -","- C32 H32 Cl2 N4 Ru -","- C64 H64 Cl4 N8 Ru2 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0612","0.0346","","","0.0797","0.0904","","","","","","0.946","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247262","28.7859","0.0012","15.6535","0.0006","14.3195","0.0005","90","","113.084","0.002","90","","5935.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl6 N4 Ru -","- C28 H20 Cl6 N4 Ru -","- C224 H160 Cl48 N32 Ru8 -","8","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.0917","0.0483","","","0.1262","0.1536","","","","","","0.894","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247263","10.4958","0.0004","13.5516","0.0005","13.8771","0.0005","108.633","0.002","92.763","0.002","94.144","0.003","1860.14","0.12","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 N4 O4 Ru -","- C32 H29 Cl2 N4 O4 Ru -","- C64 H58 Cl4 N8 O8 Ru2 -","2","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.1183","0.066","","","0.1658","0.2153","","","","","","1.027","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247264","9.8151","0.0007","12.8431","0.001","19.5758","0.0014","90","","91.003","0.005","90","","2467.3","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl4 N8 O Ru2 -","- C56 H48 Cl4 N8 O Ru2 -","- C112 H96 Cl8 N16 O2 Ru4 -","2","0.5","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.181","0.1179","","","0.3255","0.3769","","","","","","1.0695","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247265","14.0932","0.001","14.4484","0.001","17.727","0.0014","90","","104.93","0.006","90","","3487.8","0.5","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 N4 O Ru -","- C32 H32 Cl2 N4 Ru -","- C128 H128 Cl8 N16 Ru4 -","4","1","","Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh","Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation","RSC Advances","2023","13","36","25660","25672","10.1039/D3RA04750D","","","0.71073","MoKα","","0.1645","0.0647","","","0.1369","0.1829","","","","","","0.938","","","","has coordinates","285903","2023-08-30","01:11:41",""
"7247274","15.168","0.008","5.683","0.003","21.306","0.011","90","","100.272","0.009","90","","1807.1","1.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Verma, Ekta; Patil, Shailendra; Gajbhiye, Asmita","Sequential analysis for identification of byproduct from N-benzylation reaction: wound healing and anti-inflammatory potential of the byproduct 4-chlorobenzyl 2-((4-chlorobenzyl)amino)benzoate","RSC Advances","2023","13","37","25904","25911","10.1039/D3RA03720G","","","0.71073","MoKα","","0.1098","0.0598","","","0.1454","0.1803","","","","","","0.897","","","","has coordinates","285922","2023-08-31","01:19:19",""
"7247302","8.6891","0.0013","13.212","0.002","6.6851","0.001","90","","98.525","0.004","90","","759","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Cd Cl3 N -","- C2 H8 Cd Cl3 N -","- C8 H32 Cd4 Cl12 N4 -","4","1","","Lim, Ae Ran; Yoon, Ma Byong","Crystal growth, phase transition, and nuclear magnetic resonance of organic–inorganic hybrid perovskite NH2(CH3)2CdCl3","RSC Advances","2023","13","37","26015","26022","10.1039/D3RA04381A","","","0.71073","MoKα","","0.0244","0.0234","","","0.0615","0.0621","","","","","","1.078","","","","has coordinates","285965","2023-09-02","01:25:14",""
"7247318","11.4603","0.0003","13.9922","0.0004","11.4697","0.0004","90","","96.428","0.003","90","","1827.66","0.1","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Eu N O9 -","- C15 H10 Eu N O9 -","- C60 H40 Eu4 N4 O36 -","4","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","1.54184","CuKα","","0.0435","0.0341","","","0.0812","0.0858","","","","","","1.012","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247319","11.4466","0.0003","13.9709","0.0004","11.4477","0.0003","90","","95.931","0.003","90","","1820.91","0.09","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Gd N O9 -","- C15 H10 Gd N O9 -","- C60 H40 Gd4 N4 O36 -","4","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","1.54184","CuKα","","0.0461","0.037","","","0.0906","0.0975","","","","","","1.033","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247320","8.4519","0.0005","10.4464","0.0008","11.1686","0.0006","64.867","0.006","87.068","0.005","67.318","0.006","816.17","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Gd N O10 -","- C14 H15 Gd N O10 -","- C28 H30 Gd2 N2 O20 -","2","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","0.71073","MoKα","","0.0403","0.0342","","","0.0564","0.0608","","","","","","0.996","","","","has coordinates","286003","2023-09-05","01:06:54",""
"7247321","8.4877","0.0007","10.4777","0.0012","11.1966","0.001","64.866","0.01","87.056","0.007","67.138","0.009","822.89","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Eu N O10 -","- C14 H15 Eu N O10 -","- C28 H30 Eu2 N2 O20 -","2","1","","Feng, Jingjuan; Kong, Cunding; Chen, Yunhui; Cen, Peipei; Ding, Yi; Guo, Yan; Zhang, Fengyuan; Liu, Xiangyu","Lanthanide-MOFs as multi-responsive photoluminescence sensor for sensitively detecting Fe3+, Cr2O72− and nitrofuran antibiotics","RSC Advances","2023","13","37","26196","26202","10.1039/D3RA03817C","","","0.71073","MoKα","","0.0403","0.0345","","","0.0604","0.0632","","","","","","1.025","","","","has coordinates","286003","2023-09-05","01:06:55",""
"7247322","13.2783","0.00013","13.34642","0.00015","16.09392","0.00018","68.0627","0.001","85.3464","0.0009","80.1123","0.0009","2605.87","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Dy Eu3 N14 O36 Si8 -","- C80 H110 Dy Eu3 N14 O36 Si8 -","- C80 H110 Dy Eu3 N14 O36 Si8 -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.0439","0.0282","","","0.0615","0.0656","","","","","","1.04","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247323","13.2584","0.0002","13.3275","0.0002","16.0668","0.0002","68.1098","0.0015","85.3999","0.0014","80.1109","0.0015","2594.78","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Dy3 N14 O36 Si8 Tb -","- C80 H110 Dy3 N14 O36 Si8 Tb -","- C80 H110 Dy3 N14 O36 Si8 Tb -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.0491","0.0354","","","0.0821","0.0891","","","","","","1.031","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247324","12.884","0.0002","13.9471","0.0002","15.3005","0.0002","67.2399","0.0015","82.6403","0.0013","86.2713","0.0013","2514.08","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","- C72 H98 Eu N10 O36 Si8 Tb Y2 -","1","0.5","","Félix, Gautier; Sene, Saad; Kulakova, Alena; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","Tetranuclear lanthanide-based silsesquioxanes: towards a combination of a slow relaxation of the magnetization and a luminescent thermometry","RSC Advances","2023","13","37","26302","26312","10.1039/D3RA04901A","","","0.71073","MoKα","","0.1274","0.0883","","","0.1886","0.2038","","","","","","1.03","","","","has coordinates,has disorder","286004","2023-09-05","01:07:42",""
"7247325","10.8035","0.0008","12.1488","0.0011","12.992","0.0012","67.259","0.001","69.516","0.002","69.334","0.002","1425.7","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Br Cu2 F N5 O6 -","- C27 H29 Br Cu2 F N5 O6 -","- C54 H58 Br2 Cu4 F2 N10 O12 -","2","1","","Cao, Shuhua; Wang, Anlin; Li, Kaoxue; Lin, Zhiteng; Yang, Hongwei; Zhang, Xiaolei; Qiu, Jianmei; Tai, Xishi","A novel tetranuclear Cu(ii) complex for DNA-binding and in vitro anticancer activity","RSC Advances","2023","13","38","26324","26329","10.1039/D3RA03624C","","","0.71073","MoKα","","0.098","0.0656","","","0.1518","0.1619","","","","","","1.072","","","","has coordinates","286005","2023-09-05","01:08:16",""
"7247332","17.768","0.004","6.4114","0.0012","6.5376","0.0013","90","","90","","90","","744.7","0.3","170","","170","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Fe N6 O12 -","- C6 H16 Fe N6 O12 -","- C12 H32 Fe2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0625","0.0401","","","0.0933","0.1026","","","","","","1.033","","","","has coordinates","286217","2023-09-06","01:08:45",""
"7247333","6.4481","0.001","17.558","0.003","6.5592","0.001","90","","94.045","0.004","90","","740.8","0.2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cu N6 O12 -","- C6 H16 Cu N6 O12 -","- C12 H32 Cu2 N12 O24 -","2","0.5","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0822","0.0752","","","0.1997","0.2061","","","","","","1.194","","","","has coordinates","286217","2023-09-06","01:08:46",""
"7247334","6.4342","0.0007","17.7202","0.0019","6.537","0.0007","90","","90","","90","","745.32","0.14","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H16 Co N6 O12 -","- C6 H16 Co N6 O12 -","- C12 H32 Co2 N12 O24 -","2","0.25","","Liu, Wei; Xu, Yuangang; Zhang, Yulong; Zheng, Hanyue; Gou, Xiaodong; Xiao, Fei","Design, preparation, and combustion performance of energetic catalysts based on transition metal ions (Cu2+, Co2+, Fe2+) and 3-aminofurazan-4-carboxylic acid","RSC Advances","2023","13","38","26563","26573","10.1039/D3RA03585A","","","0.71073","MoKα","","0.0386","0.0376","","","0.1019","0.104","","","","","","1.028","","","","has coordinates","286217","2023-09-06","01:08:46",""
"7247335","11.9722","0.0012","15.4178","0.0014","15.426","0.0015","68.708","0.002","73.198","0.003","74.391","0.002","2496.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Cd2 Cl6 P2 -","- C32 H72 Cd2 Cl6 P2 -","- C64 H144 Cd4 Cl12 P4 -","2","1","","Elgahami, Hanen; Oueslati, Abderrazek; Nasr, Samia; Costantino, Ferdinando; Naïli, Houcine","On the high-temperature phase transition of a new chlorocadmate(ii) complex incorporating symmetrical Cd2Cl6 clusters: structural, optical and electrical properties","RSC Advances","2023","13","37","26122","26133","10.1039/D3RA04289H","","","0.71073","MoKα","","0.1361","0.0602","","","0.1521","0.2179","","","","","","1.15","","","","has coordinates","286218","2023-09-06","01:09:22",""
"7247336","10.0316","0.0009","11.9364","0.0011","13.969","0.0014","90","","101.674","0.009","90","","1638.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Zhang, Hua; Su, Rong-Chuan; Qin, Yu-Li; Wang, Xiao-Juan; Chen, Dan; Liu, Xiao-Rong; Jiang, Yu-Xin; Zhao, Peng","Regioselective synthesis of 3-nitroindoles under non-acidic and non-metallic conditions","RSC Advances","2023","13","38","26581","26586","10.1039/D3RA03193D","","x-ray","0.71073","MoKα","","0.0554","0.0434","","","0.0979","0.1075","","","","","","1.044","","","","has coordinates","286219","2023-09-06","01:09:49",""
"7247339","9.348","0.002","9.793","0.002","16.366","0.004","87.493","0.006","87.318","0.006","84.676","0.006","1489","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C68 H52 Br4 N8 O8 -","4","2","","Rana, Manish; Hungyo, Hungharla; Parashar, Palak; Ahmad, Shaban; Mehandi, Rabiya; Tandon, Vibha; Raza, Khalid; Assiri, Mohammed A.; Ali, Tarik E.; El-Bahy, Zeinhom M.; Rahisuddin,","Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives","RSC Advances","2023","13","38","26766","26779","10.1039/D3RA04873J","","","0.71073","MoKα","","0.0424","0.0277","","","0.0717","0.0781","","","","","","1.024","","","","has coordinates","286258","2023-09-07","01:08:50",""
"7247340","21.54552","0.00017","7.38135","0.00007","22.77667","0.00019","90","","101.092","0.0008","90","","3554.62","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Rana, Manish; Hungyo, Hungharla; Parashar, Palak; Ahmad, Shaban; Mehandi, Rabiya; Tandon, Vibha; Raza, Khalid; Assiri, Mohammed A.; Ali, Tarik E.; El-Bahy, Zeinhom M.; Rahisuddin,","Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives","RSC Advances","2023","13","38","26766","26779","10.1039/D3RA04873J","","","1.54184","CuKα","","0.0426","0.0368","","","0.0989","0.1031","","","","","","1.0325","","","","has coordinates","286258","2023-09-07","01:08:51",""
"7247363","7.0254","0.0003","8.4668","0.0004","13.4722","0.0006","82.729","0.004","86.836","0.004","75.912","0.004","770.76","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Cl N O -","- C19 H16 Cl N O -","- C38 H32 Cl2 N2 O2 -","2","1","","Li, Mengjuan; Li, Jingya; Zhang, Zhiguo; Chen, Liming; Ma, Nana; Liu, Qingfeng; Zhang, Xingjie; Zhang, Guisheng","Palladium-catalyzed intramolecular aza-Wacker-type cyclization of vinyl cyclopropanecarboxamides to access conformationally restricted aza[3.1.0]bicycles","RSC Advances","2023","13","39","27158","27166","10.1039/D3RA05440C","","","1.54184","CuKα","","0.0426","0.0405","","","0.1052","0.1066","","","","","","1.034","","","","has coordinates","286301","2023-09-12","00:56:11",""
"7247385","12.187","0.011","12.588","0.012","18.681","0.016","90","","106.238","0.014","90","","2752","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Br N O6 -","- C34 H22 Br N O6 -","- C136 H88 Br4 N4 O24 -","4","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.09","0.0586","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","286334","2023-09-14","01:02:02",""
"7247386","9.9122","0.0011","16.519","0.002","18.845","0.002","90","","103.554","0.006","90","","2999.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N O8 -","- C37 H27 N O8 -","- C148 H108 N4 O32 -","4","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.0673","0.0451","","","0.1094","0.1236","","","","","","1.018","","","","has coordinates","286334","2023-09-14","01:02:18",""
"7247387","8.0225","0.0006","10.0191","0.0006","14.8134","0.001","77.743","0.003","83.426","0.004","81.286","0.003","1145.92","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O6 -","- C27 H20 N2 O6 -","- C54 H40 N4 O12 -","2","1","","Gudise, Veera Babu; Anwar, Shaik","Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation","RSC Advances","2023","13","39","27456","27460","10.1039/D3RA04996E","","","0.71073","MoKα","","0.0805","0.0618","","","0.1654","0.1828","","","","","","1.041","","","","has coordinates","286334","2023-09-14","01:02:21",""
"7247388","10.135","0.0004","12.5937","0.0005","16.0612","0.0006","109.954","0.002","97.699","0.002","95.951","0.002","1884.85","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N8 O4 Pd -","- C44 H36 N8 O4 Pd -","- C88 H72 N16 O8 Pd2 -","2","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","x-ray","0.71073","MoKα","","0.0521","0.0449","","","0.1122","0.1165","","","","","","1.054","","","","has coordinates","286335","2023-09-14","01:04:04",""
"7247389","10.707","0.0003","11.5157","0.0003","12.8117","0.0003","79.913","0.002","77.412","0.002","75.138","0.002","1478.16","0.07","99.99","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 N8 O3 Pd -","- C26 H44 N8 O3 Pd -","- C52 H88 N16 O6 Pd2 -","2","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","1.54184","CuKα","","0.0276","0.0271","","","0.0716","0.072","","","","","","1.042","","","","has coordinates","286335","2023-09-14","01:04:05",""
"7247390","18.6757","0.0007","10.0915","0.0004","15.2442","0.0006","90","","90","","90","","2873.01","0.19","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H23 Cl2 I2 N5 Pd -","- C26 H23 Cl2 I2 N5 Pd -","- C104 H92 Cl8 I8 N20 Pd4 -","4","1","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","x-ray","0.71073","MoKα","","0.0351","0.0277","","","0.0558","0.0582","","","","","","1.06","","","","has coordinates","286335","2023-09-14","01:04:05",""
"7247391","15.7355","0.0002","26.5299","0.0003","18.7343","0.0002","90","","103.493","0.001","90","","7604.98","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Cl0 N8 O3 Pd -","- C38 H54 N8 O3 Pd -","- C304 H432 N64 O24 Pd8 -","8","2","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","1.54184","CuKα","","0.0923","0.0882","","","0.2182","0.2227","","","","","","1.057","","","","has coordinates,has disorder","286335","2023-09-14","01:04:05",""
"7247392","20.866","0.005","11.513","0.003","29.853","0.006","90","","90","","90","","7172","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H94 Cl2 N16 O6 Pd2 -","- C53 H94 Cl2 N16 O6 Pd2 -","- C212 H376 Cl8 N64 O24 Pd8 -","4","0.5","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","0.71073","MoKα","","0.1131","0.0688","","","0.1763","0.2035","","","","","","1.102","","","","has coordinates","286335","2023-09-14","01:04:06",""
"7247416","7.3995","0.0009","8.2828","0.0012","12.5949","0.0018","90","","94.276","0.005","90","","769.77","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cu N8 O10 -","- C8 H10 Cu N8 O10 -","- C16 H20 Cu2 N16 O20 -","2","0.5","","Fachini, Lucas G.; Baptistella, Gabriel B.; Postal, Kahoana; Santana, Francielli S.; de Souza, Emanuel M.; Ribeiro, Ronny R.; Nunes, Giovana G.; Sá, Eduardo L.","A new approach to study semi-coordination using two 2-methyl-5-nitroimidazole copper(ii) complexes of biological interest as a model system","RSC Advances","2023","13","40","27997","28007","10.1039/D3RA02130K","","","0.71073","MoKα","","0.0335","0.0239","","","0.0587","0.0614","","","","","","1.061","","","","has coordinates","286444","2023-09-21","01:01:00",""
"7247417","6.714","0.002","10.504","0.004","14.095","0.005","90","","103.104","0.011","90","","968.1","0.6","201","2","201","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cu N8 O14 -","- C8 H18 Cu N8 O14 -","- C16 H36 Cu2 N16 O28 -","2","0.5","","Fachini, Lucas G.; Baptistella, Gabriel B.; Postal, Kahoana; Santana, Francielli S.; de Souza, Emanuel M.; Ribeiro, Ronny R.; Nunes, Giovana G.; Sá, Eduardo L.","A new approach to study semi-coordination using two 2-methyl-5-nitroimidazole copper(ii) complexes of biological interest as a model system","RSC Advances","2023","13","40","27997","28007","10.1039/D3RA02130K","","","0.71073","MoKα","","0.0282","0.0242","","","0.0668","0.0685","","","","","","1.082","","","","has coordinates","286444","2023-09-21","01:01:00",""
"7247428","6.437","0.0003","10.9513","0.0004","11.34","0.0006","102.588","0.004","102.906","0.004","91.799","0.003","757.77","0.06","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Bouone, Yousra Ouafa; Bouzina, Abdeslem; Sayad, Rayene; Djemel, Abdelhak; Benaceur, Farouk; Zoukel, Abdelhalim; Ibrahim-Ouali, Malika; Aouf, Nour-Eddine; Bouchareb, Fouzia","BiCl3-catalyzed green synthesis of 4-hydroxy-2-quinolone analogues under microwave irradiation","RSC Advances","2023","13","40","28030","28041","10.1039/D3RA05289C","","x-ray","0.71073","MoKα","","0.0799","0.0552","","","0.1414","0.1579","","","","","","1.043","","","","has coordinates","286464","2023-09-22","01:12:24",""
"7247434","14.147","0.004","16.117","0.004","18.997","0.005","90","","105.971","0.005","90","","4164.3","1.9","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 B3 Cl2 Co F12 N8 -","- C41 H31 B3 Cl2 Co F12 N8 -","- C164 H124 B12 Cl8 Co4 F48 N32 -","4","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","0.71073","MoKα","","0.0787","0.0569","","","0.1465","0.1596","","","","","","1.091","","","","has coordinates,has disorder","286484","2023-09-23","01:08:52",""
"7247435","8.7498","0.0003","25.9051","0.0008","8.5927","0.0003","90","","90.761","0.002","90","","1947.49","0.11","130","2","130","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H31 B2 Co F8 N9 -","- C42 H31 B2 Co F8 N9 -","- C84 H62 B4 Co2 F16 N18 -","2","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","1.54178","CuKα","","0.0613","0.0553","","","0.1335","0.1373","","","","","","1.073","","","","has coordinates,has disorder","286484","2023-09-23","01:08:53",""
"7247436","14.1345","0.0006","15.9916","0.0007","18.7291","0.0008","90","","105.142","0.003","90","","4086.4","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 B3 F12 Fe N8 -","- C40 H29 B3 F12 Fe N8 -","- C160 H116 B12 F48 Fe4 N32 -","4","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","1.54178","CuKα","","0.1342","0.1048","","","0.2103","0.2263","","","","","","1.082","","","","has coordinates,has disorder","286484","2023-09-23","01:08:53",""
"7247440","16.5928","0.0005","7.2752","0.0002","39.3538","0.0012","90","","90","","90","","4750.6","0.2","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H25 Fe N O2 -","- C33 H25 Fe N O2 -","- C264 H200 Fe8 N8 O16 -","8","1","","Angela, Varghese Maria; Harshini, Deivendran; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai. S. P.; Nagarajan, Samuthira","Efficient ternary WORM memory devices from quinoline-based D–A systems by varying the redox behavior of ferrocene","RSC Advances","2023","13","41","28416","28425","10.1039/D3RA05685F","","","0.71073","MoKα","","0.0516","0.0458","","","0.11","0.1143","","","","","","1.066","","","","has coordinates","286551","2023-09-27","01:21:07",""
"7247441","11.5519","0.0005","21.2965","0.0011","9.1698","0.0005","90","","128.825","0.0015","90","","1757.5","0.16","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Preeti,; Raza, Asif; Anand, Amit; Henry, Natacha; Sharma, Arun K.; Roussel, Pascal; Kumar, Vipan","Stereo/regio-selective access to substituted 3-hydroxy-oxindoles with anti-proliferative assessment and in silico validation","RSC Advances","2023","13","41","28434","28443","10.1039/D3RA05869G","","x-ray","0.71073","MoKα","","0.0515","0.0419","","","0.1003","0.1056","","","","","","1.039","","","","has coordinates","286571","2023-09-28","01:00:55",""
"7247466","10.7713","0.0016","13.241","0.0018","13.3621","0.0018","90","","108.828","0.005","90","","1803.8","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Gowda, Darshini; Harsha, Kachigere B.; Shalini, Veeresha Gowda; Rangappa, Shobith; Rangappa, Kanchugarakoppal S.","Microwave assisted one-pot access to pyrazolo quinolinone and tetrahydroisoxazolo quinolinone derivatives via T3P®-DMSO catalysed tandem oxidative–condensation reaction","RSC Advances","2023","13","40","28362","28370","10.1039/D3RA05235D","","","0.71073","MoKα","","0.0669","0.0487","","","0.1237","0.1385","","","","","","1.031","","","","has coordinates","286647","2023-10-04","01:15:17",""
"7247483","12.8143","0.0007","17.6436","0.001","14.6798","0.0009","90","","90","","90","","3319","0.3","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H42 Cl Co N10 O8 -","- C26 H42 Cl Co N10 O8 -","- C104 H168 Cl4 Co4 N40 O32 -","4","0.5","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0752","0.0716","","","0.2265","0.2322","","","","","","1.048","","","","has coordinates,has disorder","286862","2023-10-10","01:24:09",""
"7247484","10.3465","0.0004","15.4956","0.0006","20.7242","0.0009","105.535","0.001","101.074","0.001","97.799","0.001","3079.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 Cl2 Co3 N12 O8 S4 -","- C52 H70 Cl2 Co3 N12 O8 S4 -","- C104 H140 Cl4 Co6 N24 O16 S8 -","2","1","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0527","0.0465","","","0.1099","0.1143","","","","","","1.05","","","","has coordinates,has disorder","286862","2023-10-10","01:24:10",""
"7247485","8.278","0.0006","13.6175","0.0009","15.2737","0.001","68.354","0.002","82.668","0.002","86.839","0.002","1587.18","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl10 Co2 N14 O15 -","- C44 H58 Cl10 Co2 N14 O15 -","- C44 H58 Cl10 Co2 N14 O15 -","1","0.5","","Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces","RSC Advances","2023","13","42","29568","29583","10.1039/D3RA03828A","","","0.71073","MoKα","","0.0553","0.0498","","","0.142","0.1484","","","","","","1.035","","","","has coordinates","286862","2023-10-10","01:24:10",""
"7247492","14.6261","0.001","30.7775","0.0017","20.8709","0.0014","90","","106.865","0.007","90","","8991.1","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4 -","- C86 H62 Cl3 F9 N3 O3 P3 Pd3 S4 -","- C344 H248 Cl12 F36 N12 O12 P12 Pd12 S16 -","4","1","","Wang, Miaomiao; He, Zhixin; Chen, Meng; Wang, Yanlan","Aryl sulfonate anion stabilized aromatic triangular cation [Pd3]+: syntheses, structures and properties","RSC Advances","2023","13","42","29689","29694","10.1039/D3RA04460B","","","1.54184","CuKα","","0.1381","0.0671","","","0.1596","0.2062","","","","","","0.938","","","","has coordinates","286889","2023-10-11","01:25:39",""
"7247502","7.9884","0.0006","8.0941","0.0007","22.3164","0.0018","98.388","0.004","95.725","0.004","106.622","0.004","1352.55","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H42 N4 O Zn2 -","- C27 H42 N4 O Zn2 -","- C54 H84 N8 O2 Zn4 -","2","1","","Glöckler, Eduard; Kapp, Leon; Wölper, Christoph; Schumacher, Marcel; Gröschel, André H.; Schulz, Stephan","Homoleptic and heteroleptic ketodiiminate zinc complexes for the ROP of cyclic l-lactide","RSC Advances","2023","13","43","29879","29885","10.1039/D3RA06529D","","","0.71073","MoKα","","0.0406","0.029","","","0.064","0.0679","","","","","","1.04","","","","has coordinates","286954","2023-10-13","01:40:22",""
"7247503","8.0513","0.0004","12.3749","0.0006","14.7581","0.0007","81.3299","0.0017","81.655","0.0017","74.9858","0.0017","1395.29","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 N4 O Zn -","- C27 H48 N4 O Zn -","- C54 H96 N8 O2 Zn2 -","2","1","","Glöckler, Eduard; Kapp, Leon; Wölper, Christoph; Schumacher, Marcel; Gröschel, André H.; Schulz, Stephan","Homoleptic and heteroleptic ketodiiminate zinc complexes for the ROP of cyclic l-lactide","RSC Advances","2023","13","43","29879","29885","10.1039/D3RA06529D","","","1.54178","CuKα","","0.0421","0.038","","","0.099","0.104","","","","","","1.062","","","","has coordinates,has disorder","286954","2023-10-13","01:40:23",""
"7247504","8.5815","0.0005","10.7155","0.0004","14.7219","0.0008","71.656","0.004","78.877","0.005","85.997","0.004","1260.76","0.12","169.98","0.11","169.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl4 Fe2 N4 P2 -","- C46 H50 Cl4 Fe2 N4 P2 -","- C46 H50 Cl4 Fe2 N4 P2 -","1","0.5","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.1141","0.1022","","","0.2587","0.2686","","","","","","1.063","","","","has coordinates,has disorder","286955","2023-10-13","01:42:20",""
"7247505","10.4843","0.0001","12.9441","0.0001","14.1716","0.0001","90","","108.937","0.001","90","","1819.13","0.03","170","0.11","170","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H46 Cl2 Fe N2 P -","- C38 H47 Cl2 Fe N2 P -","- C76 H94 Cl4 Fe2 N4 P2 -","2","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.064","0.0636","","","0.1646","0.1649","","","","","","1.065","","","","has coordinates","286955","2023-10-13","01:42:20",""
"7247506","10.8311","0.0002","11.3008","0.0002","24.9795","0.0004","90","","91.011","0.002","90","","3057.02","0.09","170.15","","170.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Cl2 Fe N2 P -","- C32 H35 Cl2 Fe N2 P -","- C128 H140 Cl8 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","","1.54184","CuKα","","0.0809","0.0697","","","0.2064","0.2143","","","","","","1.064","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247507","11.2884","0.0003","19.7047","0.0003","11.5379","0.0003","90","","115.527","0.003","90","","2315.9","0.11","170","0.11","170","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl3 Fe N2 P -","- C23 H24 Cl3 Fe N2 P -","- C92 H96 Cl12 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0412","0.0362","","","0.0881","0.0904","","","","","","1.048","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247508","12.0592","0.0003","15.9546","0.0004","13.9879","0.0003","90","","94.627","0.002","90","","2682.5","0.11","169.98","0.1","169.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl5 Fe1.5 N2 O P -","- C23 H24 Cl5 Fe1.5 N2 O P -","- C92 H96 Cl20 Fe6 N8 O4 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0636","0.0537","","","0.1424","0.1502","","","","","","1.043","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247509","12.0833","0.0001","15.7285","0.0001","12.5479","0.0001","90","","99.96","0.001","90","","2348.81","0.03","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Fe N2 P -","- C24 H27 Cl2 Fe N2 P -","- C96 H108 Cl8 Fe4 N8 P4 -","4","1","","Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua","N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone","RSC Advances","2023","13","43","29866","29878","10.1039/D3RA05867K","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0735","0.074","","","","","","1.026","","","","has coordinates","286955","2023-10-13","01:42:21",""
"7247512","5.6167","0.0001","15.9231","0.0004","19.6051","0.0004","90","","90","","90","","1753.39","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting","Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans","RSC Advances","2023","13","43","29894","29903","10.1039/D3RA06370D","","x-ray","0.71073","MoKα","","0.0354","0.032","","","0.0711","0.0727","","","","","","1.024","","","","has coordinates","286974","2023-10-14","01:22:11",""
"7247513","12.4097","0.0003","9.8815","0.0002","14.6434","0.0003","90","","98.892","0.002","90","","1774.09","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting","Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans","RSC Advances","2023","13","43","29894","29903","10.1039/D3RA06370D","","x-ray","0.71073","MoKα","","0.0395","0.0334","","","0.086","0.089","","","","","","1.076","","","","has coordinates","286974","2023-10-14","01:22:12",""
"7247518","8.7898","0.0016","5.2594","0.0009","27.871","0.005","90","","95.483","0.005","90","","1282.6","0.4","296.19","","296.19","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Polo-Cuadrado, Efraín; López-Cuellar, Lorena; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Brito, Iván; Cisterna, Jonathan; Trilleras, Jorge; Alderete, Joel B.; Duarte, Yorley; Gutiérrez, Margarita","Comprehensive analysis of crystal structure, spectroscopic properties, quantum chemical insights, and molecular docking studies of two pyrazolopyridine compounds: potential anticancer agents","RSC Advances","2023","13","43","30118","30128","10.1039/D3RA04874H","","","0.71073","MoKα","","0.0767","0.0523","","","0.1289","0.1425","","","","","","1.032","","","","has coordinates","287000","2023-10-17","01:28:16",""
"7247519","8.01","0.0009","9.8032","0.0011","13.6657","0.0015","71.974","0.002","74.329","0.003","89.987","0.003","978.4","0.19","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C48 H44 N8 O2 -","2","1","","Polo-Cuadrado, Efraín; López-Cuellar, Lorena; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Brito, Iván; Cisterna, Jonathan; Trilleras, Jorge; Alderete, Joel B.; Duarte, Yorley; Gutiérrez, Margarita","Comprehensive analysis of crystal structure, spectroscopic properties, quantum chemical insights, and molecular docking studies of two pyrazolopyridine compounds: potential anticancer agents","RSC Advances","2023","13","43","30118","30128","10.1039/D3RA04874H","","","0.71073","MoKα","","0.1031","0.0595","","","0.1349","0.1733","","","","","","1.06","","","","has coordinates","287000","2023-10-17","01:28:20",""
"7247525","20.7777","0.0002","10.5881","0.0001","8.2502","0.0001","90","","94.605","0.001","90","","1809.15","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.044","0.0373","","","0.0936","0.0978","","","","","","1.028","","","","has coordinates","287035","2023-10-19","01:37:55",""
"7247526","5.6618","0.0001","14.6008","0.0002","19.1251","0.0003","90","","90.651","0.001","90","","1580.91","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.0384","0.0342","","","0.0863","0.0892","","","","","","1.052","","","","has coordinates","287035","2023-10-19","01:37:56",""
"7247527","5.768","0.00005","9.9821","0.0001","15.6039","0.0001","90","","100.441","0.001","90","","883.546","0.013","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.026","0.0256","","","0.0674","0.0677","","","","","","1.038","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247528","18.288","0.0005","7.913","0.0002","22.3941","0.0005","90","","90","","90","","3240.72","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.052","0.0382","","","0.0921","0.0989","","","","","","1.033","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247575","31.9126","0.0009","18.7706","0.0007","24.7876","0.0008","90","","94.958","0.002","90","","14792.7","0.8","150","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N4 O8 -","- C68 H56 N4 O8 -","- C544 H448 N32 O64 -","8","1","","Xu, Rong-Yao; Liu, Xiu; Sun, Guang; Zhang, Zhi-Yuan; Dong, Ming; Zhao, Liya; Zhang, Si-Miao; Wang, Xi-Yang; Zhang, Hong-Xu; Yang, Shang-Jie; Wang, Xiuguang; Li, Bin; Li, Jian; Li, Chunju","Efficient macrocyclization facilitated by skeleton preorganization","RSC Advances","2023","13","43","30269","30272","10.1039/D3RA05671F","","","1.54178","CuKα","","0.1722","0.1283","","","0.3731","0.4018","","","","","","1.291","","","","has coordinates","287104","2023-10-25","01:31:54",""
"7247576","9.126","0.003","11.832","0.003","25.192","0.006","98.152","0.013","95.551","0.009","101.38","0.01","2617.9","1.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","2","","Xu, Rong-Yao; Liu, Xiu; Sun, Guang; Zhang, Zhi-Yuan; Dong, Ming; Zhao, Liya; Zhang, Si-Miao; Wang, Xi-Yang; Zhang, Hong-Xu; Yang, Shang-Jie; Wang, Xiuguang; Li, Bin; Li, Jian; Li, Chunju","Efficient macrocyclization facilitated by skeleton preorganization","RSC Advances","2023","13","43","30269","30272","10.1039/D3RA05671F","","","0.71073","MoKα","","0.2065","0.0787","","","0.1437","0.2027","","","","","","1.027","","","","has coordinates","287104","2023-10-25","01:32:06",""
"7247588","7.2757","0.0004","10.0165","0.0006","10.0348","0.0006","75.028","0.002","86.496","0.002","88.354","0.002","705.1","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.0369","0.0283","","","0.0687","0.074","","","","","","1.039","","","","has coordinates","287134","2023-10-27","01:20:57",""
"7247589","7.2844","0.0002","10.1024","0.0003","10.1051","0.0003","74.306","0.001","85.927","0.001","88.017","0.001","714.01","0.04","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.048","0.0359","","","0.0964","0.1046","","","","","","1.042","","","","has coordinates","287134","2023-10-27","01:20:58",""
"7247590","7.2972","0.0003","10.1542","0.0004","10.1812","0.0003","73.842","0.001","87.939","0.001","85.638","0.001","722.41","0.05","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","","Lim, Ae Ran; Kim, Sun Ha","Processing on crystal growth, structure, thermal property, and nuclear magnetic resonance of organic–inorganic hybrid perovskite type [NH3(CH2)6NH3]ZnCl4 crystal","RSC Advances","2023","13","44","31027","31035","10.1039/D3RA05752F","","","0.71073","MoKα","","0.0656","0.0446","","","0.1405","0.1613","","","","","","1.021","","","","has coordinates","287134","2023-10-27","01:20:58",""
"7247609","11.0738","0.0005","13.2326","0.0006","13.7902","0.0005","83.693","0.003","70.637","0.003","82.745","0.004","1886.19","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Cl5 Ir N2 P -","- C42 H35 Cl5 Ir N2 P -","- C84 H70 Cl10 Ir2 N4 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","x-ray","0.71073","MoKα","","0.0257","0.0217","","","0.0474","0.0479","","","","","","0.986","","","","has coordinates","287190","2023-11-01","02:30:52",""
"7247610","19.1611","0.0008","20.4125","0.0009","23.7193","0.001","90","","90","","90","","9277.2","0.7","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C380.8 H310.4 Cl8 F32 Ir8 N16 O58.4 P8 -","8","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","x-ray","0.71073","MoKα","","0.0535","0.0324","","","0.1027","0.1171","","","","","","1.047","","","","has coordinates,has disorder","287190","2023-11-01","02:30:53",""
"7247611","12.34","0.02","12.49","0.02","16.46","0.04","86.17","0.05","69","0.05","88.19","0.05","2363","8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H41 Cl5 Ir N2 O5 P -","- C49 H41 Cl5 Ir N2 O5 P -","- C98 H82 Cl10 Ir2 N4 O10 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0804","0.0526","","","0.1074","0.1246","","","","","","1.06","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247612","11.25","0.013","13.317","0.016","14.035","0.017","84.55","0.03","74.18","0.03","83.1","0.03","2004","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl5 F3 Ir N2 P -","- C42 H32 Cl5 F3 Ir N2 P -","- C84 H64 Cl10 F6 Ir2 N4 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.1289","0.0609","","","0.0736","0.0882","","","","","","0.973","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247613","12.911","0.006","13.195","0.006","14.842","0.007","82.321","0.012","72.051","0.01","63.435","0.01","2151.5","1.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H45 Cl Ir N2 O3 P -","- C50 H45 Cl Ir N2 O3 P -","- C100 H90 Cl2 Ir2 N4 O6 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0881","0.0451","","","0.0547","0.0629","","","","","","0.94","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247614","13.2859","0.0008","13.4065","0.0008","15.6834","0.001","103.238","0.0015","90.1227","0.0016","117.815","0.0014","2385.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.25 H37.5 Cl3.5 Ir N2 O6 P -","- C47.25 H35.5 Cl3.5 Ir N2 O6 P -","- C94.5 H71 Cl7 Ir2 N4 O12 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.1096","0.0602","","","0.1364","0.1565","","","","","","1.005","","","","has coordinates,has disorder","287190","2023-11-01","02:30:53",""
"7247615","12.499","0.003","14.154","0.003","16.193","0.003","85.48","0.006","87.279","0.006","65.482","0.006","2598","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H35 Cl3 Ir N2 O5 P -","- C47 H35 Cl3 Ir N2 O5 P -","- C94 H70 Cl6 Ir2 N4 O10 P2 -","2","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","","0.71073","MoKα","","0.0616","0.0419","","","0.0914","0.0998","","","","","","1.031","","","","has coordinates","287190","2023-11-01","02:30:53",""
"7247652","11.5675","0.0008","14.3355","0.001","15.8991","0.0011","95.8776","0.0014","100.612","0.0014","102.337","0.0014","2503.8","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57.41 B2 N5 O16.21 S4 -","- C45 H57.402 B2 N5 O16.201 S4 -","- C90 H114.804 B4 N10 O32.402 S8 -","2","1","","Zamora-Moreno, Julio; Salomón-Flores, María K.; Valdes-García, Josue; Pinzón-Vanegas, Cristian; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Villamil-Ramos, Raúl; Romero-Solano, Miguel Á.; Dorazco-González, Alejandro","Water-soluble fluorescent chemosensor for sorbitol based on a dicationic diboronic receptor. Crystal structure and spectroscopic studies","RSC Advances","2023","13","46","32185","32198","10.1039/D3RA06198A","","","0.71073","MoKα","","0.0467","0.0396","","","0.1044","0.1105","","","","","","1.029","","","","has coordinates,has disorder","287240","2023-11-02","02:27:27",""
"7247653","16.311","0.0004","19.5847","0.0004","11.1122","0.0003","90","","108.012","0.003","90","","3375.78","0.15","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N5 -","- C21 H12 N5 -","- C168 H96 N40 -","8","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0462","0.0401","","","0.1058","0.1115","","","","","","1.043","","","","has coordinates","287241","2023-11-02","02:28:58",""
"7247654","8.648","0.0003","11.3059","0.0004","21.0344","0.0007","74.729","0.003","82.132","0.003","70.001","0.003","1861.86","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H32 N10 -","- C46 H32 N10 -","- C92 H64 N20 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.1408","0.0791","","","0.1766","0.2319","","","","","","1.056","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247655","8.1502","0.0003","10.8528","0.0003","10.8895","0.0003","73.506","0.002","71.656","0.003","89.385","0.002","873.36","0.05","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0508","0.0426","","","0.1073","0.1153","","","","","","1.033","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247656","9.6158","0.0005","12.9796","0.0007","13.0395","0.0006","65.171","0.005","87.992","0.004","69.283","0.005","1369.11","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N10 O2 -","- C62 H64 N10 O2 -","- C62 H64 N10 O2 -","1","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.1448","0.0743","","","0.1523","0.1999","","","","","","1.063","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247657","11.2406","0.0002","13.752","0.0003","14.5481","0.0003","68.229","0.002","75.915","0.002","85.545","0.002","2025.47","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H40 N10 -","- C50 H40 N10 -","- C100 H80 N20 -","2","1","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0838","0.0637","","","0.1632","0.1921","","","","","","1.056","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247658","10.855","0.0002","18.6894","0.0003","10.1304","0.0002","90","","107.219","0.002","90","","1963.08","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N10 -","- C48 H36 N10 -","- C96 H72 N20 -","2","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0498","0.046","","","0.128","0.1343","","","","","","1.088","","","","has coordinates","287241","2023-11-02","02:28:59",""
"7247659","8.2533","0.0001","16.1442","0.0003","17.4065","0.0004","90","","110.275","0.002","90","","2175.59","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N10 -","- C52 H44 N10 -","- C104 H88 N20 -","2","0.5","","Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa","Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains","RSC Advances","2023","13","45","32039","32044","10.1039/D3RA06782C","","","0.71073","MoKα","","0.0456","0.0423","","","0.1108","0.1142","","","","","","1.027","","","","has coordinates","287241","2023-11-02","02:29:00",""
"7247660","16.7363","0.0003","24.621","0.0005","8.8062","0.0002","90","","90","","90","","3628.72","0.13","125","","125","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H26 Mo2 O11 -","- C12 H26 Mo2 O11 -","- C96 H208 Mo16 O88 -","8","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0485","0.0309","","","0.0448","0.0487","","","","","","1.01","","","","has coordinates","287242","2023-11-02","02:30:44",""
"7247661","9.4347","0.0008","16.0288","0.0012","10.9136","0.0009","90","","101.838","0.003","90","","1615.3","0.2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Mo6 N2 O19 -","- C18 H40 Mo6 N2 O19 -","- C36 H80 Mo12 N4 O38 -","2","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0394","0.0332","","","0.0704","0.0731","","","","","","1.21","","","","has coordinates,has disorder","287242","2023-11-02","02:30:44",""
"7247662","8.5318","0.0004","11.0284","0.0005","14.5245","0.0007","81.706","0.002","77.862","0.002","69.992","0.002","1251.55","0.1","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H66 Mo8 O36 -","- C28 H66 Mo8 O36 -","- C28 H66 Mo8 O36 -","1","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0267","0.0219","","","0.0528","0.0554","","","","","","1.075","","","","has coordinates,has disorder","287242","2023-11-02","02:30:45",""
"7247663","9.4645","0.0001","9.4645","0.0001","17.316","0.0004","90","","90","","90","","1551.11","0.04","100","","100","","","","","","","","","4","P 41","P 4w","76","","","","- C4 H10 Mo O6 -","- C4 H10 Mo O6 -","- C32 H80 Mo8 O48 -","8","2","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0223","0.0208","","","0.0508","0.0518","","","","","","1.101","","","","has coordinates","287242","2023-11-02","02:30:45",""
"7247664","34.2851","0.0019","9.7131","0.0005","8.4881","0.0004","90","","90","","90","","2826.7","0.3","125","","125","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H36 Mo4 O20 -","- C16 H36 Mo4 O20 -","- C64 H144 Mo16 O80 -","4","1","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0682","0.0655","","","0.1327","0.1339","","","","","","1.084","","","","has coordinates,has disorder","287242","2023-11-02","02:30:45",""
"7247676","6.4702","0.0003","9.9613","0.0004","25.6312","0.0011","90","","90","","90","","1651.97","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cxy1822","3ao","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zhang, Xiao; Zhou, Qian; Zhou, Yue; Wang, Zihao; Wang, Jun; Wang, Mingfu","Asymmetric synthesis of chiral (thio)chromanes and exploration on their structure-activity relationship in macrophages.","RSC advances","2023","13","43","30391","30400","10.1039/d3ra06428j","","x-ray","1.54178","CuKα","","0.0261","0.0252","","","0.0639","0.0645","","","","","","1.034","","","","has coordinates","287286","2023-11-06","02:33:04",""
"7247684","24.7681","0.0012","15.3486","0.0011","17.0756","0.0011","90","","100.464","0.004","90","","6383.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Br2 N4 O Pd -","- C31 H40 Br2 N4 O Pd -","- C248 H320 Br16 N32 O8 Pd8 -","8","1","","Bensalah, Donia; Mansour, Lamjed; Sauthier, Mathieu; Gurbuz, Nevin; Özdemir, Ismail; Beji, Lotfi; Gatri, Rafik; Hamdi, Naceur","Plausible PEPPSI catalysts for direct C–H functionalization of five-membered heterocyclic bioactive motifs: synthesis, spectral, X-ray crystallographic characterizations and catalytic activity","RSC Advances","2023","13","45","31386","31410","10.1039/D3RA06334H","","","0.71073","MoKα","","0.1082","0.0487","","","0.0815","0.0981","","","","","","0.933","","","","has coordinates","287484","2023-11-08","02:20:54",""
"7247698","12.112","0.0005","7.3561","0.0003","18.2597","0.0006","90","","99.73","0.002","90","","1603.48","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F3 N2 -","- C16 H12 Br F3 N2 -","- C64 H48 Br4 F12 N8 -","4","1","","Zheng, Yongpeng; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing; Jiang, Huanfeng","Rapid assembly of structurally diverse cyanamides and disulfanes via base-mediated aminoalkylation of aryl thiourea","RSC Advances","2023","13","47","33047","33052","10.1039/D3RA06051A","","","0.71073","MoKα","","0.0485","0.033","","","0.0693","0.0772","","","","","","1.037","","","","has coordinates","287507","2023-11-10","02:20:51",""
"7247699","6.5729","0.0005","29.957","0.002","6.9575","0.0005","90","","100.913","0.003","90","","1345.19","0.17","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Zheng, Yongpeng; Li, Jianxiao; Qi, Chaorong; Wu, Wanqing; Jiang, Huanfeng","Rapid assembly of structurally diverse cyanamides and disulfanes via base-mediated aminoalkylation of aryl thiourea","RSC Advances","2023","13","47","33047","33052","10.1039/D3RA06051A","","","0.71073","MoKα","","0.0923","0.0505","","","0.1056","0.1288","","","","","","1.071","","","","has coordinates","287507","2023-11-10","02:20:52",""
"7247706","4.2522","0.0009","4.7701","0.0011","15.904","0.006","88.9","0.03","84.67","0.02","73.309","0.019","307.65","0.15","295","","295","1","150000","","150000","","","","","2","P -1","-P 1","2","dodecane","n-dodecane","","- C12 H26 -","- C12 H26 -","- C12 H26 -","1","0.5","","Poręba, Tomasz; Kicior, Inga","Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes","RSC Advances","2023","13","47","33305","33317","10.1039/D3RA06957E","","x-ray","0.41","synchrotron","","0.0953","0.0662","","","0.2262","0.2574","","","","","","1.075","","","","has coordinates","288091","2023-12-06","15:51:23",""
"7247707","4.1808","0.0005","4.7113","0.0003","29.53","0.02","93.609","0.019","90.41","0.02","107.274","0.009","554.1","0.4","295","","295","","170000","","170000","","","","","2","P -1","-P 1","2","undecane","n-undecane","","- C11 H24 -","- C11 H24 -","- C22 H48 -","2","1","","Poręba, Tomasz; Kicior, Inga","Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes","RSC Advances","2023","13","47","33305","33317","10.1039/D3RA06957E","","x-ray","0.41","synchrotron","","0.1045","0.0539","","","0.1564","0.1951","","","","","","0.995","","","","has coordinates","288091","2023-12-06","15:51:23",""
"7247729","11.75","0.04","14.98","0.05","15.88","0.05","106.46","0.03","101.62","0.03","98.45","0.03","2563","15","103","","103","","","","","","","","","3","P -1","-P 1","2","C70@N6","","","- C172 H65 Cl -","- C172 H65 Cl -","- C172 H65 Cl -","1","0.5","","Mei, Peifeng; Morimoto, Hirofumi; Okada, Yuta; Matsuo, Kyohei; Hayashi, Hironobu; Saeki, Akinori; Yamada, Hiroko; Aratani, Naoki","Complexation study of a 1,3-phenylene-bridged cyclic hexa-naphthalene with fullerenes C60 and C70 in solution and 1D-alignment of fullerenes in the crystals","RSC Advances","2023","13","47","33459","33462","10.1039/D3RA06526J","","","0.71073","MoKα","","0.4092","0.1092","","","0.2259","0.4205","","","","","","1.084","","","","has coordinates,has disorder","287604","2023-11-15","02:14:04",""
"7247744","11.338","0.0014","12.4628","0.0015","13.4549","0.0017","90","","106.655","0.002","90","","1821.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N -","- C24 H16 Br N -","- C96 H64 Br4 N4 -","4","1","","Yang, Ruchun; Xiong, Yongge; Deng, Si; Bai, Jiang; Song, Xian-Rong; Xiao, Qiang","NBS-mediated bromination and dehydrogenation of tetrahydro-quinoline in one pot: scope and mechanistic study","RSC Advances","2023","13","47","33495","33499","10.1039/D3RA06747E","","","0.71073","MoKα","","0.0567","0.0344","","","0.086","0.0932","","","","","","0.99","","","","has coordinates","287637","2023-11-16","02:16:10",""
"7247752","13.6684","0.0008","9.1256","0.0004","14.0839","0.0008","90","","111.168","0.007","90","","1638.18","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl2 N2 O2 S -","- C16 H12 Cl2 N2 O2 S -","- C64 H48 Cl8 N8 O8 S4 -","4","1","","Qadri, Tahir; Aziz, Mubashir; Channar, Pervaiz Ali; Ejaz, Syeda Abida; Hussain, Mumtaz; Attaullah, Hafiz Muhammad; Ujan, Rabail; Hussain, Zahid; Zehra, Tasneem; Saeed, Aamer; Shah, M. R.; Ogaly, Hanan A.; Al-Zahrani, Fatimah A. M.","Synthesis, biological evaluation and in silico investigations of benzotriazole derivatives as potential inhibitors of NIMA related kinase","RSC Advances","2023","13","48","33826","33843","10.1039/D3RA06149C","","x-ray","1.54184","CuKα","","0.0478","0.0427","","","0.1159","0.1215","","","","","","1.059","","","","has coordinates","287683","2023-11-18","02:11:39",""
"7247753","6.8042","0.0004","9.4238","0.0003","27.8269","0.001","90.365","0.003","92.745","0.004","102.252","0.004","1741.41","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H26 N4 -","- C39 H26 N4 -","- C78 H52 N8 -","2","1","","Wu, Gui-Yuan; Zhu, Hui-Min; Li, Hao; Zhang, Kai; Zhang, Xianyi; Yan, Dong; Zhang, Xiu-Du; Lin, Lili; Lu, Zhou","The impact of aggregation of AIE and ACQ moiety-integrating material on the excited state dynamics","RSC Advances","2023","13","48","33911","33917","10.1039/D3RA06359C","","","1.54178","CuKα","","0.1382","0.1088","","","0.2845","0.298","","","","","","1.681","","","","has coordinates,has disorder","287699","2023-11-21","02:14:30",""
"7247758","48.478","0.019","7.4","0.003","5.597","0.002","90","","93.301","0.009","90","","2004.5","1.3","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O2 -","- C20 H40 O2 -","- C80 H160 O8 -","4","1","","Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F.","New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations","RSC Advances","2023","13","48","34032","34044","10.1039/D3RA05388A","","","0.71073","MoKα","","0.2057","0.095","","","0.271","0.3471","","","","","","1.035","","","","has coordinates","287717","2023-11-22","02:11:31",""
"7247759","48.445","0.007","7.1499","0.001","5.5267","0.0008","90","","92.785","0.005","90","","1912.1","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O2 -","- C20 H40 O2 -","- C80 H160 O8 -","4","1","","Cardoso, Luanny M. B.; de Oliveira Neto, João G.; Saraiva, Gilberto D.; Leite, Fábio F.; Ayala, Alejandro P.; dos Santos, Adenilson O.; de Sousa, Francisco F.","New polymorphic phase of arachidic acid crystal: structure, intermolecular interactions, low-temperature stability and Raman spectroscopy combined with DFT calculations","RSC Advances","2023","13","48","34032","34044","10.1039/D3RA05388A","","","0.71073","MoKα","","0.0968","0.0684","","","0.1902","0.2135","","","","","","1.096","","","","has coordinates","287717","2023-11-22","02:11:42",""
"7247760","4.7906","0.0002","13.1169","0.0006","25.4767","0.0012","90","","90","","90","","1600.9","0.12","160","1","160","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Cl F3 N3 O S -","- C16 H11 Cl F3 N3 O S -","- C64 H44 Cl4 F12 N12 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0473","0.0399","","","0.0994","0.1042","","","","","","1.035","","","","has coordinates","287718","2023-11-22","02:12:55",""
"7247761","28.8781","0.0009","13.8936","0.0004","7.7325","0.0003","90","","90","","90","","3102.44","0.18","160","1","160","1","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C15 H10 Cl F2 N3 O S -","- C15 H10 Cl F2 N3 O S -","- C120 H80 Cl8 F16 N24 O8 S8 -","8","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0334","0.027","","","0.0581","0.0607","","","","","","1.061","","","","has coordinates","287718","2023-11-22","02:13:06",""
"7247780","9.5711","0.0004","37.8741","0.0014","7.842","0.0003","90","","101.89","0.004","90","","2781.71","0.19","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3.87 H4.13 Cl0.13 F0.13 N0.52 O0.65 -","- C3.87097 H4.12903 Cl0.129032 F0.129032 N0.516129 O0.645161 -","- C120 H128 Cl4 F4 N16 O20 -","31","7.75","","Takkar, Priya; Singh, Bholey; Pani, Balaram; Kumar, Rakesh","Design, synthesis and in silico evaluation of newer 1,4-dihydropyridine based amlodipine bio-isosteres as promising antihypertensive agents","RSC Advances","2023","13","48","34239","34248","10.1039/D3RA06387A","","","0.71073","MoKα","","0.0603","0.0468","","","0.1233","0.1304","","","","","","1.087","","","","has coordinates","287751","2023-11-23","02:12:14",""
"7247781","22.2427","0.0013","5.4882","0.0004","29.653","0.002","90","","90.096","0.006","90","","3619.8","0.4","288","3","288","3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol","4,4''-dimethoxy-6'-(methylthio)-[1,1':4',1''-terphenyl]-2'-ol","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C168 H160 O24 S8 -","8","1","","Shaw, Ranjay; Prakash, Prasoon; Althagafi, Ismail; Giri, Nand Gopal; Pratap, Ramendra","1,3-Dianionic annulation of ketones with ketene dithioacetal: a modified route to 3-aryl/cyclopropyl-5-thiomethyl-phenols and 1-(methylthio)-9,10-dihydrophenanthren-3-ols","RSC Advances","2023","13","48","34299","34307","10.1039/D3RA05421G","","x-ray","0.71073","MoKα","","0.1103","0.0509","","","0.1128","0.1462","","","","","","0.9715","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7247792","7.4304","0.0001","16.7705","0.0003","22.5342","0.0003","90","","90","","90","","2808.02","0.07","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O4 P2 S2 -","- C30 H28 O4 P2 S2 -","- C120 H112 O16 P8 S8 -","4","1","","Ramazanova, Kyzgaldak; Chakrabortty, Soumyadeep; Müller, Bernd H.; Lönnecke, Peter; de Vries, Johannes G.; Hey-Hawkins, Evamarie","Synthesis of P-stereogenic 1-phosphanorbornane-derived phosphine–phosphite ligands and application in asymmetric catalysis","RSC Advances","2023","13","49","34439","34444","10.1039/D3RA07630J","","","0.71073","MoKα","","0.0458","0.036","","","0.0765","0.0813","","","","","","1.031","","","","has coordinates","287798","2023-11-25","02:09:26",""
"7247793","12.857","0.003","12.102","0.002","18.856","0.004","90","","104.22","0.03","90","","2844","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69.25 H68.05 Cl0.45 N6 -","- C69.174 H67.886 Cl0.42 N6 -","- C138.348 H135.772 Cl0.84 N12 -","2","0.5","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.0902","0.0749","","","0.2106","0.2234","","","","","","1.061","","","","has coordinates,has disorder","287799","2023-11-25","02:11:01",""
"7247794","11.156","0.002","12.563","0.003","17.063","0.003","90","","96.4","0.03","90","","2376.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 N6 O2 -","- C62 H52 N6 O2 -","- C124 H104 N12 O4 -","2","0.5","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.0466","0.0437","","","0.1255","0.1291","","","","","","1.043","","","","has coordinates","287799","2023-11-25","02:11:01",""
"7247795","61.463","0.012","13.878","0.003","39.531","0.008","90","","102.04","0.03","90","","32978","12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H59 Cl9 N6 -","- C43 H29 Cl3 N6 -","- C1376 H928 Cl96 N192 -","32","4","","Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro","Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant","RSC Advances","2023","13","49","34520","34523","10.1039/D3RA06863C","","","0.62","Synchrotron","","0.1763","0.0798","","","0.22","0.2767","","","","","","1.005","","","","has coordinates,has disorder","287799","2023-11-25","02:11:02",""
"7247800","15.8789","0.0013","10.783","0.0009","15.3311","0.0011","90","","110.401","0.002","90","","2460.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 I2 N5 O3 -","- C21 H25 I2 N5 O3 -","- C84 H100 I8 N20 O12 -","4","1","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.1066","0.088","","","0.2703","0.2946","","","","","","1.071","","","","has coordinates","287874","2023-11-30","02:23:10",""
"7247801","9.507","0.0004","11.2651","0.0005","13.3444","0.0005","86.589","0.001","73.216","0.001","76.076","0.001","1327.99","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Cl2 N5 O2 Pd -","- C31 H25 Cl2 N5 O2 Pd -","- C62 H50 Cl4 N10 O4 Pd2 -","2","1","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.0783","0.0461","","","0.0855","0.1073","","","","","","1.086","","","","has coordinates","298328","2025-03-07","16:31:41",""
"7247802","9.2037","0.0004","11.6728","0.0005","14.0506","0.0006","91.744","0.001","101.92","0.002","109.87","0.001","1380.69","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Cl2 N5 O3 -","- C31 H29 Cl2 N5 O3 -","- C62 H58 Cl4 N10 O6 -","2","1","","Khurshid, Afshan; Tanveer, Tania; Hafeez, Komal; Ahmed, Maqsood; Akhtar, Zareen; Zafar, M. Naveed","Palladium-anchored donor-flexible pyridylidene amide (PYA) electrocatalysts for CO2 reduction","RSC Advances","2023","13","49","34817","34825","10.1039/D3RA06477H","","x-ray","0.71073","MoKα","","0.1086","0.0956","","","0.2561","0.2773","","","","","","1.0674","","","","has coordinates","287874","2023-11-30","02:23:33",""
"7247842","10.4827","0.0004","11.1537","0.0004","12.5636","0.0005","77.997","0.001","76.934","0.001","62.455","0.001","1259.59","0.08","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O8 -","- C30 H22 N2 O8 -","- C60 H44 N4 O16 -","2","1","","Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei","A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions","RSC Advances","2023","13","50","35617","35620","10.1039/D3RA07653A","","","0.71073","MoKα","","0.0584","0.0408","","","0.0932","0.105","","","","","","1.037","","","","has coordinates","288110","2023-12-07","02:14:01",""
"7247843","11.3722","0.0004","10.3911","0.0004","18.8309","0.0008","90","","96.105","0.002","90","","2212.62","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei","A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions","RSC Advances","2023","13","50","35617","35620","10.1039/D3RA07653A","","","0.71073","MoKα","","0.0701","0.0441","","","0.1014","0.1213","","","","","","1.054","","","","has coordinates","288110","2023-12-07","02:14:02",""
"7247853","10.9638","0.0009","22.3683","0.0018","14.3096","0.0013","90","","102.531","0.008","90","","3425.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl (14Z,11Z,3E,8E)-6-butyl-11H,11H-14,17-dioxa-6-aza-1,11(4,1)-ditriazola-2,10(1,4)-dibenzenacyclononadecaphane-3,8-diene-4,8-dicarboxylate","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea","A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures","RSC Advances","2023","13","51","35773","35780","10.1039/D3RA06792K","","x-ray","0.71073","MoKα","","0.2632","0.0822","","","0.0759","0.1019","","","","","","0.692","","","","has coordinates","288240","2023-12-12","02:18:53",""
"7247872","5.8558","0.0006","6.9698","0.0004","6.97","0.0003","63.53","0.005","87.994","0.008","69.991","0.008","236.93","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N4 Se2 -","- C8 H6 N4 Se2 -","- C8 H6 N4 Se2 -","1","0.5","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0403","0.0394","","","0.1123","0.1135","","","","","","1.156","","","","has coordinates","288336","2023-12-15","02:29:31",""
"7247873","5.6131","0.0001","5.3878","0.0001","23.1681","0.0004","90","","95.706","0.002","90","","697.18","0.02","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 Se2 -","- C12 H14 N4 Se2 -","- C24 H28 N8 Se4 -","2","0.5","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0296","0.028","","","0.0775","0.0787","","","","","","1.109","","","","has coordinates","288336","2023-12-15","02:29:32",""
"7247874","16.2906","0.0002","6.3136","0.0001","12.7839","0.0002","90","","90","","90","","1314.85","0.03","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 Se -","- C12 H14 N4 Se -","- C48 H56 N16 Se4 -","4","1","","Kushwah, Nisha; Chopade, Suresh M.; Wadawale, Amey; Sharma, P.; Kedarnath, G.","One-pot synthesis of unsubstituted and methyl substituted-pyrazinyl diselenides and monoselenides: structural, optical property characterization and DFT calculations","RSC Advances","2023","13","51","36392","36402","10.1039/D3RA06591J","","x-ray","1.54184","CuKα","","0.0265","0.0245","","","0.0621","0.0637","","","","","","1.054","","","","has coordinates","288336","2023-12-15","02:29:32",""
"8000566","7.176","0.0003","11.6702","0.0003","7.2267","0.0004","90","","113.519","0.006","90","","554.93","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0779","0.0608","","","0.1596","0.1905","","","","","","1.139","","","","has coordinates","299426","2025-04-28","05:16:58",""
"8000567","6.3923","0.0007","7.2424","0.0009","7.4683","0.0008","103.707","0.01","114.869","0.011","106.137","0.01","275.38","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C12 H10 N2 O4 -","2","1","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0597","0.0521","","","0.1619","0.189","","","","","","1.0905","","","","has coordinates","273312","2022-03-04","01:33:31",""
"9004081","15.516","","15.516","","11.769","","90","","90","","90","","2833.34","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9 -","- Al5.5 Ca9.46 F1.56 Fe1.098 H2.44 O37.44 Si9 -","- Al22 Ca37.84 F6.24 Fe4.392 H9.76 O149.76 Si36 -","4","0.25","","Rucklidge J C; Kocman V; Whitlow S H; Gabe E J","The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:18",""
"9004082","15.558","","15.558","","11.81","","90","","90","","90","","2858.63","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 -","- Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 -","- Al19.888 Ca36.208 Fe5.836 H16 Na2.16 O156 Si36 -","4","0.25","","Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.","The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004083","15.543","","15.543","","11.7905","","90","","90","","90","","2848.41","","","","","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 -","- Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 -","- Al19.68 Ca40 Fe4.96 H16 Mg2.72 O156 Si36 Ti0.64 -","4","0.25","","Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.","The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004084","9.622","","8.826","","5.279","","90","","106.92","","90","","428.906","","","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","Omphacite","- Al0.525 Ca0.492 Fe0.475 Na0.508 O6 Si2 -","- Al0.525 Ca0.492 Fe0.475 Na0.508 O6 Si2 -","- Al2.1 Ca1.968 Fe1.9 Na2.032 O24 Si8 -","4","1","","Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.","Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Tronto","The Canadian Mineralogist","1975","13","","62","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004085","9.622","","8.826","","5.279","","90","","106.92","","90","","428.906","","","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","Omphacite","- Al0.481 Ca0.466 Fe0.518 Na0.534 O6 Si2 -","- Al0.4815 Ca0.466 Fe0.5185 Na0.534 O6 Si2 -","- Al1.926 Ca1.864 Fe2.074 Na2.136 O24 Si8 -","4","1","","Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.","Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Winnipeg","The Canadian Mineralogist","1975","13","","62","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004086","9.923","","9.923","","9.923","","90","","90","","90","","977.078","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Cobalt pentlandite","- Co8.84 S8 -","- Co8.84 S8 -","- Co35.36 S32 -","4","0.0208333","","Rajamani V; Prewitt C T","Refinement of the structure of Co9S8","The Canadian Mineralogist","1975","13","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9004087","8.3976","","8.3976","","8.3976","","90","","90","","90","","592.196","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Titanomagnetite","- Al0.088 Ca0.006 Cr0.038 Fe2.205 Mg0.05 Mn0.014 O4 Si0.008 Ti0.59 V0.02 -","- Al0.088 Ca0.006 Cr0.038 Fe2.205 Mg0.05 Mn0.014 O4 Si0.008 Ti0.59 V0.02 -","- Al0.704 Ca0.048 Cr0.304 Fe17.64 Mg0.4 Mn0.112 O32 Si0.064 Ti4.72 V0.16 -","8","0.0416667","","Stout, M. Z.; Bayliss, P.","Crystal structure of a natural titanomagnetite","The Canadian Mineralogist","1975","13","","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004088","3.991","","3.991","","3.991","","90","","90","","90","","63.569","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Atokite","- Pd0.486 Pt0.302 Sn0.212 -","- Pd0.486 Pt0.302 Sn0.212 -","- Pd1.944 Pt1.208 Sn0.848 -","4","0.0208333","","Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R.","Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa","The Canadian Mineralogist","1975","13","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004089","3.991","","3.991","","3.991","","90","","90","","90","","63.569","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Rustenburgite","- Pd0.486 Pt0.398 Sn0.217 -","- Pd0.486 Pt0.398 Sn0.217 -","- Pd1.944 Pt1.592 Sn0.868 -","4","0.0208333","","Mihalik, P.; Hiemstra, S. A.; de Villiers, J. P. R.","Rustenburgite and atokite, two new platinum-group minerals from the Merensky Reef, Bushveld igneous complex Locality: the Rustenburg and Atok Platinum Mines in the Bushveld Igneous complex, South Africa","The Canadian Mineralogist","1975","13","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004090","15.992","","15.992","","7.19","","90","","90","","120","","1592.45","","","","","","","","","","","","Andreasberg, Harz, Lower Saxony, Germany","13","R 3 m :H","R 3 -2""","160","","","Schorl","- Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06 -","- Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06 -","- Al18.27 B9 Ca0.51 Fe7.29 H12 K0.03 Li0.18 Mg0.36 Mn0.09 Na2.64 O93 Si18 Ti0.18 -","3","0.166667","","Fortier, S.; Donnay, G.","Schorl refinement showing composition dependence of the tourmaline structure","The Canadian Mineralogist","1975","13","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004091","8.36","","5.352","","6.858","","90","","90","","90","","306.846","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","Hawthorne, F. C.; Ferguson, R. B.","Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite","The Canadian Mineralogist","1975","13","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004092","9.829","","12.302","","5.868","","90","","90","","90","","709.537","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","Thenardite","- Na2 O4 S -","- Na2 O4 S -","- Na16 O32 S8 -","8","0.25","","Hawthorne, F. C.; Ferguson, R. B.","Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite","The Canadian Mineralogist","1975","13","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004093","4.873","","5.852","","3.608","","90","","90","","90","","102.889","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","","Costibite","- Co S Sb -","- Co S Sb -","- Co2 S2 Sb2 -","2","0.5","","Rowland, J. F.; Gabe, E. J.; Hall, S. R.","The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)","The Canadian Mineralogist","1975","13","","188","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004094","5.842","","5.951","","11.666","","90","","90","","90","","405.577","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Paracostibite","- Co S Sb -","- Co S Sb -","- Co8 S8 Sb8 -","8","1","","Rowland, J. F.; Gabe, E. J.; Hall, S. R.","The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)","The Canadian Mineralogist","1975","13","","188","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004095","8.966","","8.98","","6.73","","102.72","","116.65","","60.66","","422.176","","","","","","","","","","","","St. Michel, Montreal Island, Quebec, Canada","7","P 1","P 1","1","","","Weloganite","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","- C6 H6 Ca0.21 Na2 O21 Sr2.79 Zr -","1","1","","Grice, J. D.; Perrault, G.","The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed.","The Canadian Mineralogist","1975","13","","209","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004096","6.993","","6.995","","6.245","","90","","90","","90","","305.481","","","","","","","","","","","","Leopoldshall, East Germany","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Hawthorne, F. C.; Ferguson, R. B.","Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite","The Canadian Mineralogist","1975","13","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9004097","5.4024","","5.5959","","7.7564","","90","","90.278","","90","","234.483","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Hawthorne, F. C.; Ferguson, R. B.","Refinement of the crystal structure of cryolite","The Canadian Mineralogist","1975","13","","377","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004098","6.988","","11.201","","10.566","","90","","90","","90","","827.028","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Mroseite","- C Ca O5 Te -","- C Ca O5 Te -","- C8 Ca8 O40 Te8 -","8","1","","Fischer, R.; Pertlik, F.; Zemann, J.","The crystal structure of mroseite, CaTeO2(CO3)","The Canadian Mineralogist","1975","13","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005464","7.754","","7.754","","5.101","","90","","90","","90","","306.695","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.94 Ca1.68 Fe0.58 Mg0.38 Mn0.06 Na1.42 O14 Si3.98 Sr0.9 Ti0.02 Zn0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lava of Mt. Etinde, Cameroon Sample: ET1","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005465","7.764","","7.764","","5.095","","90","","90","","90","","307.125","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.92 Ca1.66 Fe0.58 Mg0.4 Mn0.06 Na1.44 O14 Si3.98 Sr0.9 Ti0.04 Zn0.02 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lave of Mt. Etinde, Cameroon Sample: ET2","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005466","9.2953","","6.2894","","7.6906","","90","","118.068","","90","","396.728","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Krettnichite","- H2 Mn2 O10 Pb0.83 Sr0.17 V2 -","- H2 Mn2 O10 Pb0.83 Sr0.17 V2 -","- H4 Mn4 O20 Pb1.66 Sr0.34 V4 -","2","0.25","","Brugger, J.; Armbruster, T.; Criddle, A. J.; Berlepsch, P.; Graeser, S.; Reeves, S.","Description, crystal structure, and paragenesis of krettnichite, PbMn2(VO4)2(OH)2, the Mn3+ analogue of mounanaite","European Journal of Mineralogy","2001","13","","145","158","10.1127/0935-1221/01/0013-0145","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005467","6.219","","6.219","","5.487","","90","","90","","90","","212.215","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Schiavinatoite","- B Nb0.52 O4 Ta0.48 -","- B Nb0.52 O4 Ta0.48 -","- B4 Nb2.08 O16 Ta1.92 -","4","0.125","","Demartin, F.; Diella, V.; Gramaccioli, C. M.; Pezzotta, F.","Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite","European Journal of Mineralogy","2001","13","","159","165","10.1127/0935-1221/01/0013-0159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005468","6.7127","","6.8293","","5.2345","","107.625","","95.409","","111.158","","207.616","","","","","","","","","","","","Johanngeorgenstadt, Saxony, Germany","4","P -1","-P 1","2","","","Paganoite","- As Bi Ni O5 -","- As Bi Ni O5 -","- As2 Bi2 Ni2 O10 -","2","1","","Roberts, A. C.; Burns, P. C.; Gault, R. A.; Criddle, A. J.; Feinglos, M. N.; Stirling, J. A. R.","Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure","European Journal of Mineralogy","2001","13","","167","175","10.1127/0935-1221/01/0013-0167","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005469","4.264","","4.264","","23.25","","90","","90","","120","","366.09","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Telluronevskite","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi5.88 S0.64 Se3.46 Te2.02 -","2","0.166667","","Ridkosil, T.; Skala, R.; Johan, Z.; Srein, V.","Telluronevskite, Bi3TeSe2, a new mineral","European Journal of Mineralogy","2001","13","","177","185","10.1127/0935-1221/01/0013-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005470","5.25","","11.647","","9.655","","90","","95.94","","90","","587.202","","","","","","","","","","","","Modum, Norway","4","P 1 21/n 1","-P 2yn","14","","","Raadeite","- H8 Mg7 O16 P2 -","- H8 Mg7 O16 P2 -","- H16 Mg14 O32 P4 -","2","0.5","","Chopin, C.; Ferraris, G.; Prencipe, M.; Brunet, F.; Medenbach, O.","Raadeite, Mg7(PO4)2(OH)8: a new dense-packed phosphate from Modum (Norway)","European Journal of Mineralogy","2001","13","","319","327","10.1127/0935-1221/01/0013-0319","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005471","5.192","","9.011","","20.028","","90","","95.74","","90","","932.314","","","","","","","","","","","","Westland","12","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.748 Ba0.044 Cl0.005 Cr0.062 Fe0.039 H1.829 K0.857 Mg0.081 Na0.103 O11.995 Si3.11 Ti0.003 -","- Al2.748 Ba0.044 Cl0.005 Cr0.062 Fe0.0391 H1.829 K0.857 Mg0.0809 Na0.103 O11.995 Si3.11 Ti0.0029 -","- Al10.992 Ba0.176 Cl0.02 Cr0.248 Fe0.1564 H7.316 K3.428 Mg0.3236 Na0.412 O47.98 Si12.44 Ti0.0116 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005472","5.175","","8.979","","19.915","","90","","95.66","","90","","920.865","","","","","","","","","","","","Northwest Nelson - Campbell Creek","12","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.774 Ca0.004 Cr0.099 F0.031 Fe0.021 H1.92 K0.725 Mg0.02 Na0.268 O11.969 Si3.069 Ti0.019 -","- Al2.7738 Ca0.004 Cr0.099 F0.031 Fe0.021 H1.92 K0.725 Mg0.02 Na0.268 O11.969 Si3.0692 Ti0.019 -","- Al11.0952 Ca0.016 Cr0.396 F0.124 Fe0.084 H7.68 K2.9 Mg0.08 Na1.072 O47.876 Si12.2768 Ti0.076 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005473","5.206","","9.04","","20.058","","90","","95.79","","90","","939.159","","","","","","","","","","","","Northwest Nelson - Anatoki River","13","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.691 Ba0.012 Cl0.001 Cr0.108 F0.041 Fe0.102 H1.456 K0.959 Mg0.11 Na0.029 O11.958 Si3.135 Ti0.033 -","- Al2.6908 Ba0.012 Cl0.001 Cr0.108 F0.041 Fe0.102 H1.456 K0.959 Mg0.11 Mn0.0009 Na0.029 O11.958 Si3.1352 Ti0.0331 -","- Al10.7632 Ba0.048 Cl0.004 Cr0.432 F0.164 Fe0.408 H5.824 K3.836 Mg0.44 Mn0.0036 Na0.116 O47.832 Si12.5408 Ti0.1324 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005474","8.0855","","8.0855","","8.0855","","90","","90","","90","","528.592","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Sp3/10a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005475","8.087","","8.087","","8.087","","90","","90","","90","","528.886","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.998 Mg0.355 O4 Zn0.647 -","- Al1.998 Mg0.355 O4 Zn0.647 -","- Al15.984 Mg2.84 O32 Zn5.176 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Gah1a/a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005476","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.788 Fe0.202 Mg O4 -","- Al1.788 Fe0.202 Mg O4 -","- Al14.304 Fe1.616 Mg8 O32 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: MgF1a/6a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005477","8.1242","","8.1242","","8.1242","","90","","90","","90","","536.219","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.763 Fe0.238 Mg0.851 O4 Zn0.148 -","- Al1.763 Fe0.238 Mg0.851 O4 Zn0.148 -","- Al14.104 Fe1.904 Mg6.808 O32 Zn1.184 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Frk1a/d","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005478","8.758","","8.112","","15.311","","90","","90.21","","90","","1087.76","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Krotite","- Al1.817 Ca Fe0.183 O4 -","- Al1.81667 Ca Fe0.183333 O4 -","- Al21.8 Ca12 Fe2.2 O48 -","12","3","","Kahlenberg, V.","On the Al/Fe substitution in iron doped monocalcium aluminate - the crystal structure of CaAl1.8Fe0.2O4","European Journal of Mineralogy","2001","13","","403","410","10.1127/0935-1221/01/0013-0403","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005479","17.729","","17.909","","7.433","","90","","116.52","","90","","2111.72","","","","","","","","100","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = .0001 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:15",""
"9005480","17.481","","17.625","","7.345","","90","","116.73","","90","","2021.18","","","","","","","","1450000","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = 1.45 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:26",""
"9005481","17.124","","17.376","","7.237","","90","","116.93","","90","","1919.84","","","","","","","","3400000","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = 3.4 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:28",""
"9005482","17.774","","17.824","","7.438","","90","","116.38","","90","","2111.01","","","","","","","","100","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = .0001 GPa (after compression)","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:31",""
"9005483","13.716","","20.084","","5.11","","90","","90","","90","","1407.66","","","","","","","","","","","","Monte Argentario","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al15.76 F1.216 Fe2.8 H31.584 K0.016 Mg5.2 O79.584 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005484","13.726","","20.099","","5.112","","90","","90","","90","","1410.29","","","","","","","","","","","","Monte Leoni","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al15.84 F0.96 Fe2.8 H31.68 K0.016 Mg5.2 O79.68 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005485","5.2173","","9.0493","","19.989","","90","","95.734","","90","","939.017","","","","293.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 20 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005486","5.2196","","9.055","","20.01","","90","","95.746","","90","","940.99","","","","373.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 100 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005487","5.223","","9.0618","","20.044","","90","","95.738","","90","","943.925","","","","473.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 200 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005488","5.2276","","9.0701","","20.083","","90","","95.726","","90","","947.481","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 300 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005489","5.2279","","9.0745","","20.096","","90","","95.727","","90","","948.607","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 300 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005490","5.2321","","9.0784","","20.125","","90","","95.715","","90","","951.168","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 400 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005491","5.2324","","9.0787","","20.129","","90","","95.718","","90","","951.438","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 400 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005492","5.236","","9.0862","","20.169","","90","","95.707","","90","","954.791","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 500 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005493","5.2356","","9.0893","","20.177","","90","","95.707","","90","","955.423","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 500 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005494","5.2356","","9.0893","","20.177","","90","","95.707","","90","","955.423","","","","873.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 600 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005495","5.2412","","9.0983","","20.242","","90","","95.69","","90","","960.504","","","","923.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 650 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005496","5.2328","","9.0948","","20.207","","90","","95.694","","90","","956.932","","","","973.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 700 degrees C Note: y-coordinate altered","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005497","11.265","0.002","7.386","0.001","44.97","0.009","90","","90","","90","","3741.65","","","","","","","","","","","","Locality: Wessels mine, South Africa","4","F 2 d d","F -2d 2","43","","","Tobermorite","- Ca2 H3 O11 Si3 -","- Ca2 H3 O11 Si3 -","- Ca32 H48 O176 Si48 -","16","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD01","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","","","","","","0.128","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:33",""
"9005498","6.735","0.002","7.385","0.001","22.487","0.004","90","","90","","123.25","0.01","935.351","","","","","","","","","","","","Locality: Wessels mine, South Africa","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2 H5 O11 Si3 -","- Ca2 H5 O11 Si3 -","- Ca8 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD02","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","","","","","","0.051","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:44",""
"9005499","6.732","0.002","7.369","0.001","22.68","0.004","90","","90","","123.18","0.01","941.668","","","","","","","","","","","","Locality: Bašcenov, Urals, Russia","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2.25 H7 O11 Si3 -","- Ca2.25 H5 O11 Si3 -","- Ca9 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","x-ray","","","","","0.089","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005500","6.732","0.002","7.369","0.001","22.68","0.004","90","","90","","123.18","0.01","941.668","","","","","","","","","","","","Locality: Bašcenov, Urals, Russia","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2.25 H7 O11 Si3 -","- Ca2.25 H5 O11 Si3 -","- Ca9 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","x-ray","","","","","0.11","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005501","7.5817","","7.6813","","2.8865","","90","","90","","90","","168.102","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.41 O4.793 Si0.59 -","- Al2.41 O4.793 Si0.59 -","- Al4.82 O9.586 Si1.18 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Si single-crystal","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005502","7.5655","","7.6883","","2.8851","","90","","90","","90","","167.814","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.34 O4.83 Si0.66 -","- Al2.34 O4.83 Si0.66 -","- Al4.68 O9.66 Si1.32 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Si powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005503","7.653","","7.7779","","2.9252","","90","","90","","90","","174.12","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.36 Ge0.64 O4.82 -","- Al2.36 Ge0.64 O4.82 -","- Al4.72 Ge1.28 O9.64 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Ge powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005504","7.8674","","8.0305","","3.0148","","90","","90","","90","","190.473","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Ga2.31 Ge0.69 O4.84 -","- Ga2.31 Ge0.69 O4.84 -","- Ga4.62 Ge1.38 O9.68 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Ga-Ge powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005505","12.397","","12.397","","12.397","","90","","90","","90","","1905.24","","","","","","","","","","","","Anguillara, Mts. Sabatini, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Kimzeyite","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al6.48 Ba0.24 Ca23.76 Fe7.36 Mg0.88 O96 Si10.8 Ti5.44 Zr8.96 -","8","0.0833333","","Schingaro, E.; Scordari, F.; Capitanio, F.; Parodi, G.; Smith, D. C.; Mottana, A.","Crystal chemistry of kimzeyite from Anguillara, Mts. Sabatini, Italy Sample: AD collected with a point detector","European Journal of Mineralogy","2001","13","","749","759","10.1127/0935-1221/2001/0013-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005506","12.397","","12.397","","12.397","","90","","90","","90","","1905.24","","","","","","","","","","","","Anguillara, Mts. Sabatini, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Kimzeyite","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al6.48 Ba0.24 Ca23.76 Fe7.36 Mg0.88 O96 Si10.8 Ti5.44 Zr8.96 -","8","0.0833333","","Schingaro, E.; Scordari, F.; Capitanio, F.; Parodi, G.; Smith, D. C.; Mottana, A.","Crystal chemistry of kimzeyite from Anguillara, Mts. Sabatini, Italy Sample: CD collected with an area detector","European Journal of Mineralogy","2001","13","","749","759","10.1127/0935-1221/2001/0013-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005507","12.293","","11.124","","4.861","","90","","95.69","","90","","661.454","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Trimounsite-(Y)","- Er0.466 O9 Si Ti2 Y1.534 -","- Er0.466 O9 Si Ti2 Y1.534 -","- Er1.864 O36 Si4 Ti8 Y6.136 -","4","1","","Kolitsch, U.","The crystal structure of trimounsite-(Y), (Y,REE)2Ti2SiO9: an unusual TiO6-based titanate chain","European Journal of Mineralogy","2001","13","","761","768","10.1127/0935-1221/2001/0013-0761","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005508","12.773","","12.773","","5.051","","90","","90","","120","","713.664","","","","","","","","","","","","Tsumeb, Namibia","6","P 63 m c","P 6c -2c","186","","","Ekatite","- As2.268 Fe5.07 H9.492 O15.246 Si0.246 Zn0.9 -","- As2.268 Fe5.07 H9.492 O15.246 Si0.246 Zn0.9 -","- As4.536 Fe10.14 H18.984 O30.492 Si0.492 Zn1.8 -","2","0.166667","","Keller, P.","Ekatite, (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2, a new mineral from Tsumeb, Namibia, and its crystal structure","European Journal of Mineralogy","2001","13","","769","777","10.1127/0935-1221/2001/0013-0769","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005509","7.2704","","10.197","","6.8463","","90","","105.34","","90","","489.476","","","","","","","","","","","","Radvanice near Trutnov, Czech Republic","3","P 1 21/c 1","-P 2ybc","14","","","SnGeS3","- Ge S3 Sn -","- Ge S3 Sn -","- Ge4 S12 Sn4 -","4","1","","Sejkora, J.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T","Natural SnGeS3 from Radvanice near Trutnov (Czech Republic): its description, crystal structure refinement and solid solution with PbGeS3","European Journal of Mineralogy","2001","13","","791","800","10.1127/0935-1221/2001/0013-0791","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005510","11.879","","5.808","","9.505","","90","","90","","90","","655.781","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Mendipite","- Cl2 O2 Pb3 -","- Cl2 O2 Pb3 -","- Cl8 O8 Pb12 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005511","5.8052","","6.9025","","15.141","","90","","90","","90","","606.706","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Damaraite","- Cl H O3 Pb3 -","- Cl H O3 Pb3 -","- Cl4 H4 O12 Pb12 -","4","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005512","8.882","","13.048","","7.202","","90","","116.88","","90","","744.476","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","TlAlSi3O8","- Al O8 Si3 Tl -","- Al O8 Si3 Tl -","- Al4 O32 Si12 Tl4 -","4","0.5","","Kyono, A.; Kimata, M.","The crystal structure of synthetic TlAlSi3O8: Influence of the inert-pair effect of thallium on the feldspar structure","European Journal of Mineralogy","2001","13","","849","856","10.1127/0935-1221/2001/0013/0849","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005513","4.2113","","4.2113","","4.2113","","90","","90","","90","","74.688","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.synt","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005514","4.2154","","4.2154","","4.2154","","90","","90","","90","","74.906","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.026 Mg0.974 O -","- Fe0.026 Mg0.974 O -","- Fe0.104 Mg3.896 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.4041","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005515","4.2178","","4.2178","","4.2178","","90","","90","","90","","75.034","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.042 Mg0.958 O -","- Fe0.042 Mg0.958 O -","- Fe0.168 Mg3.832 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.3363","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005516","4.212","","4.212","","4.212","","90","","90","","90","","74.725","","","","","","","","","","after heating to 1100 deg C","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.01 Mg0.99 O -","- Fe0.01 Mg0.99 O -","- Fe0.04 Mg3.96 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: after heating to 1100 deg C","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005517","8.385","","8.385","","8.385","","90","","90","","90","","589.534","","","","","","","","","","after heating to 1100 deg C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe1.96 Mg1.04 O4 -","- Fe1.96 Mg1.04 O4 -","- Fe15.68 Mg8.32 O32 -","8","0.0416667","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: after heating to 1100 deg C","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005518","6.6039","","6.6039","","5.9783","","90","","90","","90","","260.723","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Kolesov, B. A.; Geiger, C. A.; Armbruster, T.","The dynamic properties of zircon studied by single-crystal X-ray diffraction and Raman spectroscopy","European Journal of Mineralogy","2001","13","","939","948","10.1127/0935-1221/2001/0013-0939","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005519","5.3925","","11.9283","","11.7256","","113.044","","94.84","","103.064","","663.394","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","12","P -1","-P 1","2","","","Kupletskite","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","1","0.5","","Piilonen, P. C.; McDonald, A. M.; LaLonde, A. E.","Kupletskite polytypes from the Lovozero massif, Kola Peninsula, Russia: Kupletskite-1A and kupletskite-Ma2b2c Sample: Kupletskite-1A","European Journal of Mineralogy","2001","13","","973","984","10.1127/0935-1221/2001/0013/0973","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005520","5.4022","","23.226","","21.1782","","90","","95.246","","90","","2646.13","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","11","C 1 2/c 1","-C 2yc","15","","","Kupletskite","- Ca0.398 F H4 K2 Mg0.138 Mn6.6 Na0.776 Nb0.238 O30 Si8 Ti1.762 -","- Ca0.398 F H4 K2 Mg0.138 Mn6.6 Na0.776 Nb0.238 O30 Si8 Ti1.762 -","- Ca1.592 F4 H16 K8 Mg0.552 Mn26.4 Na3.104 Nb0.952 O120 Si32 Ti7.048 -","4","0.5","","Piilonen, P. C.; McDonald, A. M.; LaLonde, A. E.","Kupletskite polytypes from the Lovozero massif, Kola Peninsula, Russia: Kupletskite-1A and kupletskite-Ma2b2c Sample: Kupletskite-Ma2b2c","European Journal of Mineralogy","2001","13","","973","984","10.1127/0935-1221/2001/0013/0973","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005521","12.035","","6.9294","","12.6705","","90","","90.266","","90","","1056.65","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca O4.5 S -","- Ca12 O54 S12 -","12","3","","Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R.","The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate","European Journal of Mineralogy","2001","13","","985","993","10.1127/0935-1221/2001/0013/0985","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9005522","5.2781","","9.141","","20.124","","90","","90","","90","","970.925","","","","","","","","","","","","","10","C c m m","-C 2c 2c","63","","","Phlogopite-2O","- Al0.6 F0.8 Fe0.33 H1.2 K0.97 Li0.67 Mg2 Na0.03 O11.2 Si3.4 -","- Al0.6 F0.8 Fe0.33 H1.2 K0.97 Li0.67 Mg2 Na0.03 O11.2 Si3.4 -","- Al2.4 F3.2 Fe1.32 H4.8 K3.88 Li2.68 Mg8 Na0.12 O44.8 Si13.6 -","4","0.25","","Ferraris, G.; Gula, A.; Ivaldi, G.; Nespolo, M.; Sokolova, E.; Uvarova, Y.; Khomyakov, A. P.","First structure determination of an MDO-2O mica polytype associated with a 1M polytype","European Journal of Mineralogy","2001","13","","1013","1023","10.1127/0935-1221/2001/0013-1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005523","5.305","","9.199","","10.232","","90","","100.03","","90","","491.697","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite-1M","- Al0.6 F1.2 Fe0.34 H0.8 K0.97 Li0.52 Mg2.14 Na0.03 O10.8 Si3.4 -","- Al0.6 F1.2 Fe0.34 H0.8 K0.97 Li0.52 Mg2.14 Na0.03 O10.8 Si3.4 -","- Al1.2 F2.4 Fe0.68 H1.6 K1.94 Li1.04 Mg4.28 Na0.06 O21.6 Si6.8 -","2","0.25","","Ferraris, G.; Gula, A.; Ivaldi, G.; Nespolo, M.; Sokolova, E.; Uvarova, Y.; Khomyakov, A. P.","First structure determination of an MDO-2O mica polytype associated with a 1M polytype","European Journal of Mineralogy","2001","13","","1013","1023","10.1127/0935-1221/2001/0013-1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005524","5.22","","5.22","","29.762","","90","","90","","120","","702.318","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite-3T","- Al2.11 Fe0.18 H2 K0.9 Mg0.32 Na0.05 O12 Si3.4 Ti0.03 -","- Al2.11 Fe0.18 H2 K0.9 Mg0.32 Na0.05 O12 Si3.4 Ti0.03 -","- Al6.33 Fe0.54 H6 K2.7 Mg0.96 Na0.15 O36 Si10.2 Ti0.09 -","3","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 3TY Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005525","5.228","","5.228","","29.73","","90","","90","","120","","703.715","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite-3T","- Al1.9 Fe0.27 H2 K0.95 Mg0.34 Na0.01 O12 Si3.5 Ti0.03 -","- Al1.9 Fe0.27 H2 K0.95 Mg0.34 Na0.01 O12 Si3.5 Ti0.03 -","- Al5.7 Fe0.81 H6 K2.85 Mg1.02 Na0.03 O36 Si10.5 Ti0.09 -","3","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 3TG Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005526","5.2132","","9.051","","19.937","","90","","95.76","","90","","935.971","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","C 1 2/c 1","-C 2yc","15","","","Phengite-2M1","- Al2.17 Fe0.21 H2 K0.98 Mg0.24 Na0.02 O12 Si3.38 Ti0.02 -","- Al2.17 Fe0.21 H2 K0.98 Mg0.24 Na0.02 O12 Si3.38 Ti0.02 -","- Al8.68 Fe0.84 H8 K3.92 Mg0.96 Na0.08 O48 Si13.52 Ti0.08 -","4","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 2M1Y Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005527","5.225","","9.057","","19.956","","90","","95.73","","90","","939.656","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","C 1 2/c 1","-C 2yc","15","","","Phengite-2M1","- Al1.97 Fe0.24 H2 K0.99 Mg0.33 Na0.02 O12 Si3.45 Ti0.04 -","- Al1.97 Fe0.24 H2 K0.99 Mg0.33 Na0.02 O12 Si3.45 Ti0.04 -","- Al7.88 Fe0.96 H8 K3.96 Mg1.32 Na0.08 O48 Si13.8 Ti0.16 -","4","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 2M1G Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005528","5.332","","9.235","","10.22","","90","","100.06","","90","","495.506","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.4 Ba0.02 F0.35 Fe0.69 H1.86 K0.83 Mg1.84 Mn0.01 Na0.05 O11.72 Si2.8 Ti0.13 -","- Al1.4 Ba0.02 F0.35 Fe0.69 H1.86 K0.83 Mg1.84 Mn0.01 Na0.05 O11.72 Si2.8 Ti0.13 -","- Al2.8 Ba0.04 F0.7 Fe1.38 H3.72 K1.66 Mg3.68 Mn0.02 Na0.1 O23.44 Si5.6 Ti0.26 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC2G","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005529","5.346","","9.258","","10.208","","90","","100.12","","90","","497.367","","","","","","","","","","","","Mt. Vulture, Italy","13","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.37 Ba0.045 F0.18 Fe1.12 H1.59 K0.86 Li0.23 Mg1.44 Mn0.01 Na0.05 O11.82 Si2.59 Ti0.23 -","- Al1.37 Ba0.045 F0.18 Fe1.12 H1.59 K0.86 Li0.23 Mg1.44 Mn0.01 Na0.05 O11.82 Si2.59 Ti0.23 -","- Al2.74 Ba0.09 F0.36 Fe2.24 H3.18 K1.72 Li0.46 Mg2.88 Mn0.02 Na0.1 O23.64 Si5.18 Ti0.46 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7N","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005530","5.327","","9.225","","10.236","","90","","99.99","","90","","495.386","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al2.86 Ba0.04 F0.48 Fe1.2 H3.52 K1.78 Mg4.26 Mn0.02 Na0.12 O23.52 Si5.16 Ti0.26 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7G","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005531","5.327","","9.225","","10.236","","90","","99.99","","90","","495.386","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2 1","C 2y","5","","","Phlogopite","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.7022 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al2.86 Ba0.04 F0.48 Fe1.2 H3.4044 K1.78 Mg4.26 Mn0.02 Na0.12 O23.52 Si5.16 Ti0.26 -","2","0.5","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7G - C2","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005532","4.845","","8.647","","11.992","","90","","90.31","","90","","502.394","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K0.45 Na1.55 O5 Si2 -","- K0.45 Na1.55 O5 Si2 -","- K1.8 Na6.2 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.","The crystal structure of a mixed alkali phyllosilicate with composition Na1.55K0.45Si2O5","European Journal of Mineralogy","2001","13","","1215","1221","10.1127/0935-1221/2001/0013-1215","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005788","10.4289","","10.4289","","10.4289","","90","","90","","90","","1134.27","","","","533.15","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","Langbeinite","- Ca2 K2 O12 S3 -","- Ca2 K2 O12 S3 -","- Ca8 K8 O48 S12 -","4","0.333333","","Speer, D.; Salje, E.","Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2++K2(SO4)3, M++=Mg,Ni,Co,Zn,Ca Sample: K2Ca2(SO4)3, T = 260 C","Physics and Chemistry of Minerals","1986","13","","17","24","10.1007/BF00307309","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005789","12.4704","","12.4704","","8.2504","","90","","90","","120","","1111.13","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005790","12.437","","12.437","","8.228","","90","","90","","120","","1102.19","","","","","","","","1600000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 16 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005791","12.397","","12.397","","8.207","","90","","90","","120","","1092.32","","","","","","","","3600000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 36 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005792","12.37","","12.37","","8.188","","90","","90","","120","","1085.05","","","","","","","","4950000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 49.5 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005793","8.7135","","15.268","","4.5683","","90","","90","","90","","607.756","","","","","","","","100","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005794","8.641","","15.051","","4.5338","","90","","90","","90","","589.646","","","","","","","","2300000","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 23 kbar Note: x-coordinate of O2 altered","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005795","8.587","","14.912","","4.5901","","90","","90","","90","","587.759","","","","","","","","4100000","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 41 kbar Note: y-coordinate of O3 altered","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005796","4.1811","","4.1811","","2.6665","","90","","90","","90","","46.615","","","","300.15","","","","","","synthesized with Li2WO4 as flux Sample: T = 27 C","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Endo, S.; Akai, T.; Akahama, Y.; Wakatsuki, M.; Nakamura, T.; Tomii, Y.; Koto, K.; Ito, Y.; Tokonami, M.","High temperature X-ray study of single crystal stishovite synthesized with Li2WO4 as flux Sample: T = 27 C","Physics and Chemistry of Minerals","1986","13","","146","151","10.1007/BF00308155","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005797","4.1834","","4.1834","","2.6673","","90","","90","","90","","46.68","","","","373.15","","","","","","synthesized with Li2WO4 as flux Sample: T = 100 C","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Endo, S.; Akai, T.; Akahama, Y.; Wakatsuki, M.; Nakamura, T.; Tomii, Y.; Koto, K.; Ito, Y.; Tokonami, M.","High temperature X-ray study of single crystal stishovite synthesized with Li2WO4 as flux Sample: T = 100 C","Physics and Chemistry of Minerals","1986","13","","146","151","10.1007/BF00308155","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005798","4.1865","","4.1865","","2.6684","","90","","90","","90","","46.768","","","","473.15","","","","","","synthesized with Li2WO4 as flux Sample: T = 200 C","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Endo, S.; Akai, T.; Akahama, Y.; Wakatsuki, M.; Nakamura, T.; Tomii, Y.; Koto, K.; Ito, Y.; Tokonami, M.","High temperature X-ray study of single crystal stishovite synthesized with Li2WO4 as flux Sample: T = 200 C","Physics and Chemistry of Minerals","1986","13","","146","151","10.1007/BF00308155","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005799","4.1898","","4.1898","","2.6694","","90","","90","","90","","46.86","","","","573.15","","","","","","synthesized with Li2WO4 as flux Sample: T = 300 C","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Endo, S.; Akai, T.; Akahama, Y.; Wakatsuki, M.; Nakamura, T.; Tomii, Y.; Koto, K.; Ito, Y.; Tokonami, M.","High temperature X-ray study of single crystal stishovite synthesized with Li2WO4 as flux Sample: T = 300 C","Physics and Chemistry of Minerals","1986","13","","146","151","10.1007/BF00308155","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005800","4.1929","","4.1929","","2.6704","","90","","90","","90","","46.947","","","","673.15","","","","","","synthesized with Li2WO4 as flux Sample: T = 400 C","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Endo, S.; Akai, T.; Akahama, Y.; Wakatsuki, M.; Nakamura, T.; Tomii, Y.; Koto, K.; Ito, Y.; Tokonami, M.","High temperature X-ray study of single crystal stishovite synthesized with Li2WO4 as flux Sample: T = 400 C","Physics and Chemistry of Minerals","1986","13","","146","151","10.1007/BF00308155","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005801","17.071","","9.715","","9.344","","90","","90","","90","","1549.65","","","","","","","","100","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 0.1 MPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005802","17.058","","9.724","","9.336","","90","","90","","90","","1548.58","","","","","","","","300000","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 0.3 GPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005803","17.04","","9.702","","9.32","","90","","90","","90","","1540.8","","","","","","","","900000","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 0.9 GPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005804","17.013","","9.68","","9.3035","","90","","90","","90","","1532.16","","","","","","","","1200000","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 1.2 GPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005805","16.99","","9.68","","9.293","","90","","90","","90","","1528.36","","","","","","","","2300000","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 2.3 GPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005806","16.975","","9.647","","9.274","","90","","90","","90","","1518.69","","","","","","","","2200000","","","","Zabargad island, Red Sea","4","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al16 Mg8 O72 Si20 -","4","0.25","","Koepke, J.; Schulz, H.","Single crystal structure investigations under high-pressure of the mineral cordierite with an improved high-pressure cell Sample: P = 2.2 GPa","Physics and Chemistry of Minerals","1986","13","","165","173","10.1007/BF00308159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005807","8.0898","","8.0898","","8.0898","","90","","90","","90","","529.436","","","","","","","","100","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 0.001 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005808","8.0776","","8.0776","","8.0776","","90","","90","","90","","527.044","","","","","","","","1000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 10 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005809","8.0638","","8.0638","","8.0638","","90","","90","","90","","524.348","","","","","","","","2000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 20 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005810","8.0515","","8.0515","","8.0515","","90","","90","","90","","521.952","","","","","","","","3000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 30 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005811","8.034","","8.034","","8.034","","90","","90","","90","","518.556","","","","","","","","4000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 40 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005812","8.3778","","8.3778","","8.3778","","90","","90","","90","","588.017","","","","","","","","100","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 0.001 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005813","8.3578","","8.3578","","8.3578","","90","","90","","90","","583.816","","","","","","","","1300000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 13 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005814","8.339","","8.339","","8.339","","90","","90","","90","","579.885","","","","","","","","2600000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 26 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005815","8.3199","","8.3199","","8.3199","","90","","90","","90","","575.91","","","","","","","","3900000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 39 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005816","8.3153","","8.3153","","8.3153","","90","","90","","90","","574.955","","","","","","","","4500000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Finger, L. W.; Hazen, R. M.; Hofmeister, A. M.","High-pressure crystal chemistry of spinel (MgAl2O4) and magnetite (Fe3O4): comparisons with silicate spinels Sample: P = 45 kbar","Physics and Chemistry of Minerals","1986","13","","215","220","10.1007/BF00308271","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005817","8.0454","","8.0454","","8.0454","","90","","90","","90","","520.766","","","","293.15","","","","","","heating duration Sample: T = 20 C","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 20 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005818","8.0586","","8.0586","","8.0586","","90","","90","","90","","523.334","","","","473.15","","","","","","heating duration Sample: T = 200 C","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 200 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005819","8.0739","","8.0739","","8.0739","","90","","90","","90","","526.32","","","","673.15","","","","","","heating duration Sample: T = 400 C","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 400 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005820","8.0867","","8.0867","","8.0867","","90","","90","","90","","528.827","","","","873.15","","","","","","heating duration Sample: T = 600 C","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 600 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005821","8.0916","","8.0916","","8.0916","","90","","90","","90","","529.789","","","","973.15","","","","","","heating duration Sample: T = 700 C","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 700 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005822","8.2374","","8.2374","","8.2374","","90","","90","","90","","558.947","","","","293.15","","","","","","heating duration Sample: T = 20 C","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 20 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005823","8.2513","","8.2513","","8.2513","","90","","90","","90","","561.781","","","","473.15","","","","","","heating duration Sample: T = 200 C","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 200 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005824","8.2644","","8.2644","","8.2644","","90","","90","","90","","564.461","","","","673.15","","","","","","heating duration Sample: T = 400 C","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 400 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005825","8.3114","","8.3114","","8.3114","","90","","90","","90","","574.146","","","","873.15","","","","","","heating duration Sample: T = 600 C","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 600 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005826","8.3398","","8.3398","","8.3398","","90","","90","","90","","580.052","","","","973.15","","","","","","heating duration Sample: T = 700 C","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: T = 700 C","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005828","8.0895","","8.0895","","8.0895","","90","","90","","90","","529.377","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: Duration time: 4-7 h","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005829","8.0876","","8.0876","","8.0876","","90","","90","","90","","529.004","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: Duration time: 8-11 h","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005830","8.0868","","8.0868","","8.0868","","90","","90","","90","","528.847","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: Duration time: 26-29 h","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005831","8.086","","8.086","","8.086","","90","","90","","90","","528.69","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: Duration time: 48-51 h","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005832","8.0356","","8.0356","","8.0356","","90","","90","","90","","518.866","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 O4 Si -","- Ni2 O4 Si -","- Ni16 O32 Si8 -","8","0.0416667","","Yamanaka, T.","Crystal structures of Ni2SiO4 and Fe2SiO4 as a function of temperature and heating duration Sample: Duration time: quenched","Physics and Chemistry of Minerals","1986","13","","227","232","10.1007/BF00308273","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005833","5.12","","5.216","","5.281","","90","","99.01","","90","","139.294","","","","","","","","1500000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Kudoh, Y.; Takeda, H.; Arashi, H.","In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 15 kbar","Physics and Chemistry of Minerals","1986","13","","233","237","10.1007/BF00308274","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005834","5.005","","5.235","","5.051","","90","","90","","90","","132.342","","","","","","","","3900000","","","","","2","P b c m","-P 2c 2b","57","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.5","","Kudoh, Y.; Takeda, H.; Arashi, H.","In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 39 kbar, post baddeleyite structure","Physics and Chemistry of Minerals","1986","13","","233","237","10.1007/BF00308274","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005835","4.992","","5.229","","5.046","","90","","90","","90","","131.717","","","","","","","","5100000","","","","","2","P b c m","-P 2c 2b","57","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.5","","Kudoh, Y.; Takeda, H.; Arashi, H.","In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 51 kbar, post baddeleyite structure","Physics and Chemistry of Minerals","1986","13","","233","237","10.1007/BF00308274","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005836","8.3949","","8.3949","","8.3949","","90","","90","","90","","591.625","","","","","","","","100","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 0.0001 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005837","8.3862","","8.3862","","8.3862","","90","","90","","90","","589.788","","","","","","","","630000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = .63 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005838","8.374","","8.374","","8.374","","90","","90","","90","","587.217","","","","","","","","1550000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 1.55 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005839","8.3656","","8.3656","","8.3656","","90","","90","","90","","585.452","","","","","","","","2090000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 2.09 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005840","8.3557","","8.3557","","8.3557","","90","","90","","90","","583.376","","","","","","","","2760000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 2.76 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005841","8.344","","8.344","","8.344","","90","","90","","90","","580.929","","","","","","","","3670000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 3.67 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005842","8.3332","","8.3332","","8.3332","","90","","90","","90","","578.676","","","","","","","","4440000","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Nakagiri, N.; Manghnani, M. H.; Ming, L. C.; Kimura, S.","Crystal structure of magnetite under pressure Sample: P = 4.44 GPa","Physics and Chemistry of Minerals","1986","13","","238","244","10.1007/BF00308275","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005843","9.6787","","8.8394","","5.2755","","90","","106.903","","90","","431.841","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Aegirine-augite","- Al0.03 Ca0.34 Fe0.52 Mg0.36 Mn0.09 Na0.66 O6 Si1.99 Ti0.01 -","- Al0.03 Ca0.34 Fe0.52 Mg0.36 Mn0.09 Na0.66 O6 Si1.99 Ti0.01 -","- Al0.12 Ca1.36 Fe2.08 Mg1.44 Mn0.36 Na2.64 O24 Si7.96 Ti0.04 -","4","0.5","","Ghose, S.; Kersten, M.; Langer, K.; Rossi, G.; Ungaretti, L.","Crystal field spectra and Jahn Teller effect of Mn3+ in clinopyroxene and clinoamphiboles from India Note: variety blanfordite","Physics and Chemistry of Minerals","1986","13","","291","305","10.1007/BF00308346","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005844","9.7573","","17.9026","","5.2886","","90","","103.814","","90","","897.098","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Winchite","- Al0.23 Ca0.27 Fe1.31 H2 K0.169 Li0.13 Mg3.37 Mn0.06 Na2.24 O24 Si7.9 -","- Al0.23 Ca0.27 Fe1.31 H2 K0.169 Li0.13 Mg3.37 Mn0.06 Na2.24 O24 Si7.9 -","- Al0.46 Ca0.54 Fe2.62 H4 K0.338 Li0.26 Mg6.74 Mn0.12 Na4.48 O48 Si15.8 -","2","0.25","","Ghose, S.; Kersten, M.; Langer, K.; Rossi, G.; Ungaretti, L.","Crystal field spectra and Jahn Teller effect of Mn3+ in clinopyroxene and clinoamphiboles from India","Physics and Chemistry of Minerals","1986","13","","291","305","10.1007/BF00308346","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005845","9.7624","","17.9136","","5.2874","","90","","103.837","","90","","897.826","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Magnesio-arfvedsonite","- Al0.15 Ca0.28 Fe0.77 H2 K0.31 Li0.18 Mg3.49 Mn0.4 Na1.8 O24 Si7.9 Ti0.1 -","- Al0.1496 Ca0.28 Fe0.77 H2 K0.31 Li0.18 Mg3.49 Mn0.4 Na1.8 O24 Si7.9 Ti0.1 -","- Al0.2992 Ca0.56 Fe1.54 H4 K0.62 Li0.36 Mg6.98 Mn0.8 Na3.6 O48 Si15.8 Ti0.2 -","2","0.25","","Ghose, S.; Kersten, M.; Langer, K.; Rossi, G.; Ungaretti, L.","Crystal field spectra and Jahn Teller effect of Mn3+ in clinopyroxene and clinoamphiboles from India Note: designated as juddite in the paper","Physics and Chemistry of Minerals","1986","13","","291","305","10.1007/BF00308346","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9007455","10.49","","6.705","","14.16","","90","","101.317","","90","","976.585","","","","","","","","","","","","contact zone at Scawt Hill, North Ireland","4","P 1 21/a 1","-P 2yab","14","","","Spurrite","- C Ca5 O11 Si2 -","- C Ca5 O11 Si2 -","- C4 Ca20 O44 Si8 -","4","1","","Smith, J. V.; Karle, I. L.; Hauptman, H.; Karle, J.","The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure","Acta Crystallographica","1960","13","","454","458","10.1107/S0365110X60001096","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009566","11.704","","11.704","","14.984","","90","","90","","90","","2052.56","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Mackayite","- Fe H O6 Te2 -","- Fe H O6 Te2 -","- Fe16 H16 O96 Te32 -","16","0.5","","Pertlik, F.","Hydrothermalsynthese, formel und struktur von mackayit, Fe(OH)[Te2O5]","Tschermaks Mineralogische und Petrographische Mitteilungen","1969","13","","219","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009726","5.544","","11.683","","9.134","","92.06","","101.19","","76.34","","563.921","","","","","","","","","","","","Franklin, New Jersey, USA","6","P -1","-P 1","2","","","Yeatmanite","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","- Fe0.2 Mn9 O28 Sb2 Si3.8 Zn6 -","1","0.5","","Kato, T.","The crystal structure of yeatmanite","Mineralogical Journal","1986","13","","53","64","10.2465/minerj.13.53","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009727","10.006","","2.866","","9.746","","90","","91.17","","90","","279.43","","","","","","","","","","","","Gowari Wadhona, India","5","I 1 2/m 1","-I 2y","12","","","Hollandite","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba0.75 Fe0.08 K0.19 Mn3.92 O8 -","- Ba1.5 Fe0.16 K0.38 Mn7.84 O16 -","2","0.25","","Miura, H.","The crystal structure of hollandite","Mineralogical Journal","1986","13","","119","129","10.2465/minerj.13.119","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009728","5.3","","5.3","","8.65","","90","","90","","120","","210.426","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","Kalsilite","- Al K O4 Si -","- Al K O4.00002 Si -","- Al2 K2 O8.00004 Si2 -","2","0.166667","","Kawahara, A.; Andou, Y.; Marumo, F.; Okuno, M.","The crystal structure of high temperature form of kalsilite (KAlSiO4) at 950 C Note: B(1,2)'s corrected to obey symmetry restrictions Note: Synthetic sample Note: x(O1) adjusted to match reported bond lengths","Mineralogical Journal","1987","13","","260","270","10.2465/minerj.13.260","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009729","7.015","","7.015","","16.558","","90","","90","","120","","705.657","","","","","","","","","","","","Palermo mine, North Groton, New Hampshire, USA","5","R -3 m :H","-R 3 2""","166","","","Goyazite","- Al3 H7 O14 P2 Sr -","- Al3 H7 O14 P2 Sr -","- Al9 H21 O42 P6 Sr3 -","3","0.0833333","","Kato, T.","Further refinement of the goyazite structure","Mineralogical Journal","1987","13","","390","396","10.2465/minerj.13.390","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009818","2.918","","2.918","","4.8113","","90","","90","","120","","35.478","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Weishanite","- Au0.75 Hg0.25 -","- Au0.75 Hg0.25 -","- Au1.5 Hg0.5 -","2","0.0833333","","Rolfe, C.; Hume-Rothery W","The constitution of alloys of gold and mercury","Journal of the Less-Common Metals","1967","13","","1","10","10.1016/0022-5088(67)90041-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009985","5.225","","8.997","","7.78","","90","","101.71","","90","","358.121","","","","","","","","","","","","Tafone mine, Tucsany, Italy","5","C 1 m 1","C -2y","8","","","Chapmanite","- Fe2 H O9 Sb Si2 -","- Fe2 H O9 Sb Si2 -","- Fe4 H2 O18 Sb2 Si4 -","2","0.5","","Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N.","Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral","Powder Diffraction","1998","13","","44","49","10.1017/S0885715600009751","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010718","49.49","","4.1259","","21.828","","90","","99.62","","90","","4394.4","","","","","","","","","","","","Buca della Vena mine, Tuscany, Italy","5","C 1 2/m 1","-C 2y","12","","","Pillaite","- Cl O0.5 Pb9.167 S23 Sb9.833 -","- Cl O0.5 Pb9.16666 S23 Sb9.83334 -","- Cl4 O2 Pb36.6666 S92 Sb39.3334 -","4","0.5","","Meerschaut, A.; Palvadeau, P.; Moello, Y.; Orlandi, P.","Lead-antimony sulfosalts from Tuscany (Italy). IV. Crystal structure of pillaite, Pb9Sb10S23ClO0.5, an expanded monoclinic derivative of hexagonal Bi(Bi2S3)9I3, from the zinkenite group Locality: Buca della Vena mine, Tuscany, Italy Note: changed Pb2(z) to 0.2572 to match reported bond distances","European Journal of Mineralogy","2001","13","","779","790","10.1127/0935-1221/2001/0013-0779","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011037","6.1","","10.46","","4.744","","90","","90","","90","","302.696","","","","","","","","","","","","Synthetic","4","P m n b","-P 2bc 2a","62","","","Lithiophilite","- Li Mn O4 P -","- Li Mn O4 P -","- Li4 Mn4 O16 P4 -","4","0.5","","Geller, S.; Durand, J. L.","Refinement of the structure of LiMnPO4","Acta Crystallographica","1960","13","","325","331","10.1107/S0365110X60002521","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011038","7.79","","7.79","","7.79","","90","","90","","90","","472.729","","","","","","","","","","","","Synthetic","4","P n -3 m :2","-P 4bc 2bc 3","224","","","Natanite","- Fe H6 O6 Sn -","- Fe H6 O6 Sn -","- Fe4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9011039","7.88","","7.88","","7.88","","90","","90","","90","","489.304","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011040","7.78","","7.78","","7.78","","90","","90","","90","","470.911","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Co H6 O6 Sn -","- Co H6 O6 Sn -","- Co4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011041","7.77","","7.77","","7.77","","90","","90","","90","","469.097","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- H6 Mg O6 Sn -","- H6 Mg O6 Sn -","- H24 Mg4 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011042","8.13","","8.13","","8.13","","90","","90","","90","","537.368","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Ca H6 O6 Sn -","- Ca H6 O6 Sn -","- Ca4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011043","10.32","","7.36","","7.04","","90","","106.4","","90","","512.969","","","","","","","","","","","","Crestmore, California, USA","4","P -1","-P 1","2","","","Foshagite","- Ca4 H2 O11 Si3 -","- Ca4 O11 Si3 -","- Ca8 O22 Si6 -","2","1","","Gard, J. A.; Taylor, H. F. W.","The crystal structure of foshagite","Acta Crystallographica","1960","13","","785","793","10.1107/S0365110X60001898","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011044","6.12","","10.53","","4.93","","90","","90","","90","","317.707","","","","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","","Lithiophosphate","- Li3 O4 P -","- Li3 O4 P -","- Li12 O16 P4 -","4","0.5","","Zemann, J.","Die kristallstruktur von lithiumphosphat, Li3PO4","Acta Crystallographica","1960","13","","863","867","10.1107/S0365110X60002132","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012100","5.262","","9.102","","10.094","","90","","100.83","","90","","474.839","","","","","","","","","","","","Tanakamiyama, Ohtsu, Japan","11","C 1 2 1","C 2y","5","","","Masutomilite","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al1.64 F1.46 Fe0.12 H0.54 K0.861 Li1.27 Mn0.5 Na0.072 O10.54 Rb0.067 Si3.34 -","- Al3.28 F2.92 Fe0.24 H1.08 K1.722 Li2.54 Mn Na0.144 O21.08 Rb0.134 Si6.68 -","2","0.5","","Mizota, T.; Kato, T.; Harada, K.","The crystal structure of masutomilite, Mn analogue of zinnwaldite","Mineralogical Journal","1986","13","","13","21","10.2465/minerj.13.13","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012124","8.811","","8.811","","6.563","","90","","90","","90","","509.51","","","","293","","","","","","","","Synthetic","2","P 42/m b c","-P 4c 2ab","135","","","Minium","- O4 Pb3 -","- O4 Pb3 -","- O16 Pb12 -","4","0.25","","Gavarri, J. R.; Weigel, D.","Oxydes de plomb. I. structure cristalline du minium Pb3O4, a temperature ambiante (293 K) Sample: T = 293 K","Journal of Solid State Chemistry","1975","13","","252","257","10.1016/0022-4596(75)90127-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012417","9.989","","10.616","","9.82","","90","","92.57","","90","","1040.3","","","","","","","","","","","","","5","P 1 21 1","","","","","Gismondine","- Al2 Ca H8 O12 Si2 -","- Al2 Ca H8 O12 Si2 -","- Al8 Ca4 H32 O48 Si8 -","4","2","","Vezzalini, G.; Quartieri, S.; Alberti, A.","Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 1 hr","Zeolites","1993","13","","34","42","10.1016/0144-2449(93)90020-4","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012418","13.902","","8.892","","13.952","","90","","90","","90","","1724.7","","","","","","","","","","","","","5","P 21 21 21","","","","","Gismondine","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al16 Ca8 H32 O80 Si16 -","8","2","","Vezzalini, G.; Quartieri, S.; Alberti, A.","Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 24 hr","Zeolites","1993","13","","34","42","10.1016/0144-2449(93)90020-4","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9013156","4.961","","12.181","","18.974","","90","","90.96","","90","","1146.44","","","","","","","","","","","","Great Australia mine, Concurry, Queensland, Australia","8","P 1 21/c 1","-P 2ybc","14","","","Cloncurryite","- Al3.96 Cu1.12 F2 Fe0.04 H28 O28.72 P4 V0.88 -","- Al3.96 Cu1.12 F2 Fe0.04 H21.68 O28.72 P4 V0.88 -","- Al7.92 Cu2.24 F4 Fe0.08 H43.36 O57.44 P8 V1.76 -","2","0.5","","Colchester, D. M.; Leverett, P.; McKinnon, A. R.; Sharpe, J. L.; Williams, P. A.","Cloncurryite, Cu0.56(VO)0.44Al2(PO4)2(F,OH)2*5H2O, a new mineral from the Great Australia mine, Cloncurry, Queensland, Australia, and its relationship to nevadaite Locality: Great Australia mine, Concurry, Queensland, Australia","Australian Journal of Mineralogy","2007","13","","5","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013737","3.864","","3.864","","3.864","","90","","90","","90","","57.691","","","","","","","","","","","","Tulameen River, British Columbia, Canada","2","P m -3 m","-P 4 2 3","221","","","Isoferroplatinum","- Fe Pt3 -","- Fe Pt3 -","- Fe Pt3 -","1","0.0208333","","Cabri, L. J.; Feather, C. E.","Platinum-iron alloys: a nomenclature based on a study of natural and synthetic alloys","The Canadian Mineralogist","1975","13","","117","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:16",""
"9015201","4.16","","4.16","","39.2","","90","","90","","120","","587.494","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Poubaite","- Bi2 Pb Se4 -","- Bi2.00001 Pb0.99999 Se4 -","- Bi6.00003 Pb2.99997 Se12 -","3","0.0833333","","Agaev, K. A.; Semiletov, S. A.","Electron diffraction study of the structure of PbBi2Se4","Kristallografiya","1968","13","","258","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9017209","12.035","","6.9294","","12.6705","","90","","90.266","","90","","1056.65","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca2 H2 O9 S2 -","- Ca2 H2 O9 S2 -","- Ca12 H12 O54 S12 -","6","1.5","","Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R.","The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate","European Journal of Mineralogy","2001","13","","985","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017412","12.353","","7.102","","25.733","","90.46","","99.78","","90.24","","2224.67","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C36 Ca36 O108 -","36","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017413","12.358","","7.106","","25.741","","90.43","","99.88","","90.29","","2226.84","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C36 Ca36 O108 -","36","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9017414","12.245","","7.197","","9.305","","90","","115.16","","90","","742.224","","","","","","","","","","","","theoretical","3","C 1 2 1","C 2y","5","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C12 Ca12 O36 -","12","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017415","12.281","","7.142","","9.371","","90","","115.48","","90","","741.993","","","","","","","","","","","","theoretical","3","C 1 c 1","C -2yc","9","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C12 Ca12 O36 -","12","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""