# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T13:41:47+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 6 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000369","3.8289","0.0001","3.8289","0.0001","41.75699","0.001","90","","90","","90","","612.2","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Mercury dithallium(III) tribarium strontium dicopper oxide","","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba6 Cu4 Hg2 O20 Sr2 Tl4 -","2","0.0625","","Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B","Cationic substitutions in the ""2201-1201"" intergrowth Hg Tl2 Ba4 Cu2 O10","Chemistry of Materials (1,1989-","1994","6","","1654","1658","10.1021/cm00046a017","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001098","8.357","","8.357","","8.357","","90","","90","","90","","583.6","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.3/1.7/4)","","- Li1.333 O4 Ti1.667 -","- Li1.3334 O4 Ti1.6666 -","- Li10.6672 O32 Ti13.3328 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001099","8.359","","8.359","","8.359","","90","","90","","90","","584.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.2/1.8/4)","","- Li1.2 O4 Ti1.8 -","- Li1.2 O4 Ti1.8 -","- Li9.6 O32 Ti14.4 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001100","8.391","","8.391","","8.391","","90","","90","","90","","590.8","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1/2/4)","","- Li O4 Ti2 -","- Li O4 Ti2 -","- Li8 O32 Ti16 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001101","8.378","","8.378","","8.378","","90","","90","","90","","588.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.1/1.9/4)","","- Li1.1 O4 Ti1.9 -","- Li1.1 O4 Ti1.9 -","- Li8.8 O32 Ti15.2 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004036","7.007","0.003","6.504","0.004","12.995","0.01","90","","93.32","0.05","90","","591.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","LITHIUM TETRACHLOROALUMINATE","","- Al Cl4 Li -","- Al Cl4 Li -","- Al4 Cl16 Li4 -","4","1","","Mairesse, G; Barbier, P; Vignacourt, J P","Lithium tetrachloroaluminate, Li Al Cl~4~","Crystal Structure Communications","1977","6","","15","18","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004117","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.25","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004130","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.125","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006074","3.9367","0.0003","3.9367","0.0003","15.805","0.002","90","","90","","90","","244.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dilanthanum dibarium dicopper dititanium oxide","","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006075","3.91275","0.00006","3.91275","0.00006","15.7614","0.0003","90","","90","","90","","241.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dineodymium dibarium dicopper dititanium oxide","","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008057","5.407","0.001","5.407","0.001","7.703","0.003","90","","90","","120","","195","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Barium calcium tetrairon(III) oxide","","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","1","0.0833333","","Herrmann, D; Bacmann, M","Structure nucleaire de Ba Ca Fe~4~ O~8~","Materials Research Bulletin","1971","6","","725","736","10.1016/0025-5408(71)90106-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008093","6.17","0.003","6.17","0.003","8.564","0.003","90","","90","","90","","326","","","","","","","","","","","","","3","P 43 2 2","P 4cw 2c","95","","Dimanganese titanium oxide","","- Mn2 O4 Ti -","- Mn2 O4 Ti -","- Mn8 O16 Ti4 -","4","0.5","","Bertaut, E F; Vincent, H","Etude par diffraction neutronique de la forme ordonnee de l' orthotitanate de manganese - structure cristalline et structure magnetique","Solid State Communications","1968","6","","269","275","10.1016/0038-1098(68)90102-6","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008618","5.9381","0.0004","5.9381","0.0004","5.9381","0.0004","90","","90","","90","","209.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.5/.5/2)","","- Bi0.5 F2 K0.5 -","- Bi0.5 F1.98 K0.5 -","- Bi2 F7.92 K2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008619","5.9391","0.0005","5.9391","0.0005","5.9391","0.0005","90","","90","","90","","209.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.48/.52/2.04)","","- Bi0.52 F2.04 K0.48 -","- Bi0.52 F2.06 K0.48 -","- Bi2.08 F8.24 K1.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008620","5.9224","0.0004","5.9224","0.0004","5.9224","0.0004","90","","90","","90","","207.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.45/.55/2.10)","","- Bi0.55 F2.1 K0.45 -","- Bi0.55 F2.16 K0.45 -","- Bi2.2 F8.64 K1.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008621","5.9142","0.0008","5.9142","0.0008","5.9142","0.0008","90","","90","","90","","206.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.4/.6/2.2)","","- Bi0.6 F2.2 K0.4 -","- Bi0.6 F2.2 K0.4 -","- Bi2.4 F8.8 K1.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008622","5.8885","0.0003","5.8885","0.0003","5.8885","0.0003","90","","90","","90","","204.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.35/.65/2.30)","","- Bi0.65 F2.3 K0.35 -","- Bi0.65 F2.36 K0.35 -","- Bi2.6 F9.44 K1.4 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008623","5.8895","0.0003","5.8895","0.0003","5.8895","0.0003","90","","90","","90","","204.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.3/.7/2.4)","","- Bi0.7 F2.4 K0.3 -","- Bi0.7 F2.42 K0.3 -","- Bi2.8 F9.68 K1.2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008624","6.0548","0.0004","6.0548","0.0004","6.0548","0.0004","90","","90","","90","","222","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.5/.5/2)","","- Bi0.5 F2 Rb0.5 -","- Bi0.5 F1.98 Rb0.5 -","- Bi2 F7.92 Rb2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008625","6.0567","0.0012","6.0567","0.0012","6.0567","0.0012","90","","90","","90","","222.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.48/.52/2.04)","","- Bi0.52 F2.04 Rb0.48 -","- Bi0.52 F1.98 Rb0.48 -","- Bi2.08 F7.92 Rb1.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008626","6.0445","0.0004","6.0445","0.0004","6.0445","0.0004","90","","90","","90","","220.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.45/.55/2.10)","","- Bi0.55 F2.1 Rb0.45 -","- Bi0.55 F2.08 Rb0.45 -","- Bi2.2 F8.32 Rb1.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008627","6.0423","0.0012","6.0423","0.0012","6.0423","0.0012","90","","90","","90","","220.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.4/.6/2.2)","","- Bi0.6 F2.2 Rb0.4 -","- Bi0.6 F2.16 Rb0.4 -","- Bi2.4 F8.64 Rb1.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008947","8.646","0.002","8.646","0.002","11.864","0.005","90","","90","","90","","886.9","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Neodymium cobalt boride (2/14/1)","","- B Co14 Nd2 -","- B Co14 Nd2 -","- B4 Co56 Nd8 -","4","0.25","","Le Roux, D; Vincent, H; L'Heritier, P; Fruchart, R","Crystallographic and magnetic studies of Nd2 Co14 B and Y2 Co14 B","Journal de Physique (Paris), Colloque.","1985","6","","243","247","","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009031","3.03","0.01","3.03","0.01","5.33","0.02","90","","90","","90","","48.9","","","","","","","","","","","","synthetic","2","P 42/m m c (a,b+1/2,c)","-P 4c 2 (x,y+1/2,z)","131","","Palladium oxide","Palladinite","- O Pd -","- O Pd -","- O2 Pd2 -","2","","","Waser, J.; Levy, H. A.; Peterson, S. W.","The structure of PdO Locality: synthetic","Acta Crystallographica","1953","6","","661","663","10.1107/S0365110X53001800","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"1009074","3.898","","3.898","","3.898","","90","","90","","90","","59.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese gallium nitride (3/1/1)","","- Ga Mn3 N -","- Ga Mn3 N -","- Ga Mn3 N -","1","0.0208333","","Bertaut, E F; Fruchart, D; Bouchaud, J P; Fruchart, R","Diffraction neutronique de Mn3 Ga N","Solid State Communications","1968","6","","251","256","10.1016/0038-1098(68)90098-7","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010040","4.497","","4.497","","3.707","","90","","90","","90","","75","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","Rubidium azide","","- N3 Rb -","- N3 Rb -","- N3 Rb -","1","0.0625","","Guenther, P; Porger, J; Rosbaud, P","Kristallstruktur und Schlagempfindlichkeit von Rubidiumazid und Bariumazid","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1930","6","","459","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010931","4.511","","5.047","","6.738","","90","","90","","90","","153.404","","","","","","","","","","","","synthetic","2","P n m a (c,a-1/4,b)","-P 2ac 2n (z,x,y+1/4)","62","","Iron carbide (3/1)","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","","","Shimura, Shigetaka","A Study on the Structure of Cementite","Proceedings of the Imperial Academy (Tokyo)","1930","6","7","269","271","10.2183/pjab1912.6.269","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1011345","7.39","0.05","7.39","0.05","10.05","0.05","90","","90","","120","","475.3","","","","","","","","","","","","from Khibiny alkaline massif, Kola Peni","5","P 63/m m c","-P 6c 2c","194","","Disodium zirconium catena-trisilicate dihydrate","Catapleite, averaged structure","- H4 Na2 O11 Si3 Zr -","- H4.669 Na2 O11.001 Si3 Zr -","- H9.338 Na4 O22.002 Si6 Zr2 -","2","0.0833333","","Brunovskii, B","Die Struktur des Katapleits (Na2 Zr Si3 O9 * 2(H2 O))","Trav. Inst. Lomonossoff","1935","6","","34","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100177","7.685","0.002","5.006","0.001","18.58","0.005","90","","97.94","0.02","90","","707.941","","","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide","","- C15 H15 Cl O S -","- C21 H22 Cl O S -","- C42 H44 Cl2 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","7","","","7","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00",""
"1100198","7.7726","0.0006","17.7023","0.0012","15.1696","0.0014","90","","93.518","0.01","90","","2083.3","","","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(1,2-Dimethoxyethane)-lithium dimethyl-copper(i)","","- C14 H36 Cu Li O6 -","- C14 H36 Cu Li O6 -","- C56 H144 Cu4 Li4 O24 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","4.05","","","4.05","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00",""
"1100199","10.2161","0.001","19.2676","0.001","15.792","0.002","90","","90.858","0.007","90","","3108.14","","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(1,2-Dimethoxyethane)-lithium bis(trimethylsilylmethyl)-copper(i)","","- C20 H52 Cu Li O6 Si2 -","- C20 H52 Cu Li O6 Si2 -","- C80 H208 Cu4 Li4 O24 Si8 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","6.65","","","6.65","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00",""
"1100200","10.8446","0.0007","10.9136","0.0009","18.9558","0.0012","87.682","0.009","81.637","0.008","82.658","0.009","2200.89","","","","193","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ~2~-trimethylsilylmethylene)-tris(diethyl ether)-di-copper-di-lithium","","- C28 H74 Cu2 Li2 O3 Si4 -","- C28 H74 Cu2 Li2 O3 Si4 -","- C56 H148 Cu4 Li4 O6 Si8 -","2","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::aid-chem3060>3.0.co;2-m","","","","","","","5.68","","","5.68","","","","","","","","","","","has coordinates","177557","2020-10-21","18:00:00",""
"1100201","9.018","0.0006","9.6771","0.0008","9.974","0.0007","71.564","0.005","62.985","0.005","62.938","0.005","683.92","","","","213","","","","","","","","","5","P 1","P 1","1","","(R,R)-p-Chlorophenyl-1-chloro-2-phenylethyl sulfoxide","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C28 H24 Cl4 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","4.37","","","4.37","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100202","9.1121","0.0008","9.7596","0.0007","9.9764","0.0011","84.681","0.008","62.893","0.006","63.397","0.006","699.198","","","","213","","","","","","","","","6","P 1","P 1","1","","(-)-(R,R)-p-Chlorophenyl-1-bromo-2-phenylethyl sulfoxide","","- C14 H12 Br Cl O S -","- C14 H12 Br Cl O S -","- C28 H24 Br2 Cl2 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","5.23","","","5.23","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100243","13.318","0.0004","6.836","0.0002","17.3181","0.0011","90","","96.045","0.005","90","","1567.91","","","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2SR,3SR)-N-t-Butoxycarbonyl-2-benzyl-3-pyrrolidinol","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","3.97","","","3.97","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100244","11.657","0.002","5.3217","0.0011","13.483","0.003","90","","107.81","0.02","90","","796.334","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,5R)-N-Methyl-2,5-dibenzyl-3-pyrrolidinol","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","6.44","","","6.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1506335","19.837","0.009","7.084","0.003","14.896","0.007","90","","90","","90","","2093.3","1.6","240","2","240","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Aqua(N-methyliminodipropionato)copper(II) monohydrate","Aqua(N-methyl-N-(2-carboxyethyl)-β-alaninato)copper(II) monohydrate","","- C7 H15 Cu N O6 -","- C7 H15 Cu N O6 -","- C56 H120 Cu8 N8 O48 -","8","2","","Skorik, Yury A.; Gomes, Carlos A. R.; Podberezskaya, Nina V.; Romanenko, Galina V.; Pinto, Luiz F.; Yatluk, Yury G.","Complexation Models ofN-(2-Carboxyethyl)chitosans with Copper(II) Ions","Biomacromolecules","2005","6","1","189","","10.1021/bm049597r","","","0.71073","MoKα","","0.0352","0.0336","","","0.0922","0.0931","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506799","11.3899","0.0008","12.0714","0.0008","17.4959","0.0011","87.675","0.001","72.756","0.001","65.371","0.001","2078.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-Diphenyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C96 H84 N12 S6 -","6","3","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.1408","0.0464","","","0.0831","0.101","","","","","","0.74","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506800","12.7346","0.0017","6.0351","0.0008","16.4","0.002","90","","99.31","0.003","90","","1243.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-5,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0698","0.055","","","0.1306","0.1393","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506801","5.2746","0.0003","16.1821","0.0008","20.485","0.001","90","","90","","90","","1748.48","0.16","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)-2,6-diphenylpyrimidine","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0576","0.0492","","","0.1266","0.1313","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506802","8.11","0.0006","17.9243","0.0014","21.3183","0.0016","90","","90","","90","","3099","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,6-dimethyl-2-phenylpyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0678","0.0499","","","0.1203","0.1284","","","","","","0.983","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506871","8.1092","0.0003","15.8014","0.0006","12.6836","0.0005","90","","108.122","0.001","90","","1544.62","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B N -","- C19 H28 B N -","- C76 H112 B4 N4 -","4","1","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0633","0.0401","","","0.0923","0.1079","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506872","12.0028","0.0009","11.6863","0.0008","13.3982","0.001","90","","107.782","0.001","90","","1789.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0738","0.0493","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506873","8.3435","0.0006","6.6015","0.0004","9.8836","0.0007","90","","90.892","0.001","90","","544.32","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0485","0.0389","","","0.1123","0.1196","","","","","","1.476","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506874","10.6406","0.0009","11.014","0.001","21.713","0.002","92.496","0.001","94.349","0.001","97.292","0.001","2513.2","0.4","151.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H82 Cl N2 O P2 Rh -","- C52.79 H52 Cl N2 P2 Rh -","- C105.58 H104 Cl2 N4 P4 Rh2 -","2","1","","Lewis, Jared C.; Wiedemann, Sean H.; Bergman, Robert G.; Ellman, Jonathan A.","Arylation of heterocycles via rhodium-catalyzed C-H bond functionalization.","Organic letters","2004","6","1","35","38","10.1021/ol035985e","","","0.7107","MoKα","","","0.0527","","","","0.063","","","","","","1.865","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506875","10.842","0.005","30.34","0.004","10.832","0.006","90","","92.77","0.02","90","","3559","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cl6 O4 P -","- C32 H37 Cl6 O4 P -","- C128 H148 Cl24 O16 P4 -","4","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.1066","0.0539","","","0.1476","0.188","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506876","9.5164","0.0007","10.9825","0.0009","17.8763","0.0014","84.208","0.002","81.966","0.002","82.869","0.002","1829","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H43 Cl4 O4 P -","- C36.5 H43 Cl4 O4 P -","- C73 H86 Cl8 O8 P2 -","2","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.059","0.0436","","","0.1042","0.1091","","","","","","1.004","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1506877","6.8202","0.0007","9.76","0.001","11.627","0.002","78.101","0.004","76.898","0.005","75.658","0.007","721.02","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C24 H48 O4 Si2 -","2","1","","Gorman, Jeffrey S. T.; Iacono, Scott T.; Pagenkopf, Brian L.","Selective oxidation of zirconocyclopentenes via organoboranes.","Organic letters","2004","6","1","67","70","10.1021/ol036031r","","","0.71073","MoKα","","0.29","0.1139","","","0.2067","0.2396","","","","","","1.488","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506878","6.0993","0.0006","9.9481","0.001","13.1235","0.0013","90","","90","","90","","796.29","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0668","0.0415","","","0.0764","0.0827","","","","","","0.969","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506879","7.5275","0.001","9.8141","0.0013","11.7768","0.0016","90","","96.537","0.002","90","","864.4","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","2","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0692","0.0521","","","0.1249","0.1315","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506880","4.972","0.0013","8.259","0.002","10.597","0.003","91.59","0.005","96.686","0.005","105.419","0.004","415.85","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","1","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1196","0.0667","","","0.172","0.1937","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506881","7.3659","0.0012","13.482","0.002","13.783","0.002","108.707","0.003","104.395","0.003","90.589","0.004","1249.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C56 H56 N4 O16 -","2","1","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.108","0.0541","","","0.1084","0.1234","","","","","","0.784","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506882","4.0457","0.0006","9.8264","0.0016","28.394","0.004","90","","91.477","0.003","90","","1128.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C52 H48 N4 O16 -","2","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1085","0.0569","","","0.1249","0.1397","","","","","","0.839","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506883","19.0887","0.0014","27.889","0.002","28.778","0.002","90","","90","","90","","15320.4","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C153 H186 Cl2 O8 P8 Pt4 -","- C153 H185 Cl2 O8 P8 Pt4 -","- C612 H740 Cl8 O32 P32 Pt16 -","4","1","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1825","0.0759","","","0.1766","0.2403","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506884","13.9988","0.001","38.171","0.003","14.5336","0.0011","90","","114.387","0.001","90","","7073.1","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H88 O5 P4 Pt2 -","- C74 H83.25 O5 P4 Pt2 -","- C296 H333 O20 P16 Pt8 -","4","2","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1034","0.0676","","","0.1352","0.152","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506885","12.131","0.006","13.169","0.004","19.099","0.006","94.45","0.03","96.33","0.04","110.15","0.03","2825","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O12 -","- C67 H67 O12 -","- C134 H134 O24 -","2","1","","Ihm, Chaesang; In, Youngyong; Park, Youngja; Paek, Kyungsoo","Small cavitands specifically binding a water molecule.","Organic letters","2004","6","3","369","372","10.1021/ol036206x","","","0.7107","MoKα","","0.1094","0.0531","","","0.1276","0.1591","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506886","7.792","0.004","15.115","0.013","8.009","0.009","90","","98.12","0.06","90","","933.8","1.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C36 H60 N4 O8 -","2","1","","Periasamy, Mariappan; Sivakumar, Sangarappan; Reddy, Meda Narsi; Padmaja, Meduri","Toward homogeneity of chirality via selective formation of homochiral or heterochiral aggregates.","Organic letters","2004","6","2","265","268","10.1021/ol036240b","","","0.71073","MoKα","","0.0835","0.0549","","","0.1323","0.1516","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506887","14.9262","0.0015","15.3584","0.001","17.1309","0.0013","111.443","0.004","95.318","0.003","90.261","0.003","3636.4","0.5","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C88 H80 N8 O12 -","- C88 H80 N8 O12 -","- C176 H160 N16 O24 -","2","1","","Ma, Bao-Qing; Vieira Ferreira, Luis F.; Coppens, Philip","Structure and photoluminescence of a benzil nanocolumn in a C-methylcalix[4]resorcinarene-based framework.","Organic letters","2004","6","7","1087","1090","10.1021/ol036249d","","","0.71073","MoKα","","0.0973","0.0465","","","0.0936","0.1094","","","","","","0.917","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506888","7.504","0.002","15.354","0.004","11.812","0.004","90","0","105.48","0.03","90","0","1311.6","0.7","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.071","0.042","","0.1113","","0.0965","","","0.991","","","1.122","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506889","10.819","0.002","9.869","0.002","22.487","0.005","90","0","90","0","90","0","2401","0.8","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C112 H120 N24 -","8","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.1023","0.0471","","0.1129","","0.0912","","","0.938","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506890","8.8733","0.0008","11.502","0.001","11.502","0.001","90","","112.22","0.01","90","","1086.73","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 S3 -","- C12 H6 S3 -","- C48 H24 S12 -","4","1","","Nicolas, Yohann; Blanchard, Philippe; Levillain, Eric; Allain, Magali; Mercier, Nicolas; Roncali, Jean","Planarized star-shaped oligothiophenes with enhanced pi-electron delocalization.","Organic letters","2004","6","2","273","276","10.1021/ol0362764","","x-ray","0.71073","MoKα","","0.0803","0.0652","","","0.1782","0.1922","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506891","31.901","0.0019","31.901","0.0019","15.8767","0.0009","90","","90","","90","","16157.3","1.6","143","1","143","1","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C31.25 H29.25 Cl8.75 N5 O4 Ru S2 -","- C31.0613 H28.865 Cl8.184 N5 O4 Ru S2 -","- C496.98 H461.84 Cl130.944 N80 O64 Ru16 S32 -","16","1","","Zhang, Lilu; Carroll, Patrick; Meggers, Eric","Ruthenium complexes as protein kinase inhibitors.","Organic letters","2004","6","4","521","523","10.1021/ol036283s","","","0.71069","MoKα","","0.071","0.0606","","","0.1594","0.1749","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506892","7.728","0.004","10.467","0.005","15.821","0.008","101.849","0.009","94.878","0.01","108.82","0.009","1169.6","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl N2 O7 S -","- C21 H21 Cl N2 O7 S -","- C42 H42 Cl2 N4 O14 S2 -","2","1","","Dinsmore, Andrew; Billing, David G.; Mandy, Karen; Michael, Joseph P.; Mogano, Daniel; Patil, Shivaputra","Magnesiation employing Grignard reagents and catalytic amine. Application to the functionalization of N-phenylsulfonylpyrrole.","Organic letters","2004","6","2","293","296","10.1021/ol036288p","","","0.71073","MoKα","","0.162","0.0707","","","0.1929","0.2365","","","","","","0.988","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506893","9.5168","0.0014","10.0609","0.0014","14.103","0.002","77.431","0.012","77.178","0.012","79.479","0.012","1272.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C62 H58 N2 O14 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0548","0.0375","","","0.0917","0.099","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506894","8.7426","0.0008","10.6484","0.0009","14.4952","0.0013","96.122","0.007","99.555","0.007","104.529","0.007","1272.5","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O8 -","- C30 H27 N O8 -","- C60 H54 N2 O16 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0449","0.0357","","","0.0851","0.0909","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506895","13.0619","0.0009","14.127","0.002","11.692","0.001","108.13","0.01","109.703","0.005","77.28","0.02","1914.2","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H45 Cl5 P2 Pd S -","- C33.5 H44 Cl5 P2 Pd S -","- C67 H88 Cl10 P4 Pd2 S2 -","2","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation and coordination properties including catalytic activities of a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.","Organic letters","2004","6","3","425","427","10.1021/ol036330g","","","0.7107","MoKα","","","0.0618","","","","0.1631","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506896","8.123","0.0012","8.1163","0.0011","13.096","0.002","102.015","0.01","87.435","0.006","119.834","0.015","730.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1352","0.1099","","","0.2721","0.2923","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506897","8","0.0005","8.006","0.0005","12.842","0.0008","96.645","0.0019","92.52","0.002","119.6","0.003","705.47","0.08","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0936","0.0747","","","0.1629","0.1767","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506898","8.487","0.009","12.456","0.008","16.095","0.008","96.32","0.03","105.32","0.04","110.1","0.14","1503","3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid methane solvate","","- C15.25 H21 O5 -","- C15.25 H20 O5 -","- C61 H80 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0714","0.0675","","","0.215","0.2207","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506899","8.546","0.001","12.52","0.001","16.036","0.002","96.47","0.01","105.18","0.02","109.35","0.01","1524.4","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid dichlorometane solvate","","- C15.5 H21 Cl O5 -","- C15.5 H20.669 Cl O5 -","- C62 H82.676 Cl4 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.0813","0.0623","","","0.1768","0.2035","","","","","","0.82","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506900","8.497","0.002","12.436","0.003","16.119","0.004","96.498","0.012","104.91","0.005","109.739","0.015","1511.3","0.7","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid chloroform solvate","","- C15.25 H20.25 Cl0.75 O5 -","- C15.125 H20.25 Cl0.625 O5 -","- C60.5 H81 Cl2.5 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.1184","0.0776","","","0.203","0.2326","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506901","7.967","0.0004","26.203","0.0017","19.314","0.0013","90","","100.247","0.003","90","","3967.7","0.4","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid carbon tetrachloride solvate","","- C20 H20 O5 -","- C16 H20 Cl4 O5 -","- C128 H160 Cl32 O40 -","8","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1581","0.1053","","","0.2682","0.3074","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506902","9.9279","0.0006","7.8341","0.0004","15.8873","0.0009","90","","95.946","0.001","90","","1229.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-endo-6-exo-bis(chloromethanesulfonyl)bicyclo[2.2.1]hept-2-ene","","- C9 H12 Cl2 O4 S2 -","- C9 H12 Cl2 O4 S2 -","- C36 H48 Cl8 O16 S8 -","4","2","","Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V.","Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions.","Organic letters","2004","6","3","437","440","10.1021/ol0363523","","","0.71073","MoKα","","0.0299","0.0291","","","0.0739","0.0744","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506903","16.9447","0.0014","10.3611","0.0014","12.0903","0.0015","90","","119.267","0.009","90","","1851.7","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0284","0.0266","","","0.0679","0.0692","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506904","14.8764","0.0017","13.5218","0.0013","27.438","0.003","90","","90","","90","","5519.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C224 H264 N24 O32 Si8 -","8","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.132","0.0945","","","0.1984","0.2242","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506905","14.007","0.003","18.438","0.004","29.115","0.006","90","","95.24","0.03","90","","7488","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N3 O5.5 Si2 -","- C34.75 H42.5 N3 O5.5 Si2 -","- C278 H340 N24 O44 Si16 -","8","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.1656","0.0888","","0.3269","0.2448","","","","0.997","1.08","1.08","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506906","22.019","0.004","10.433","0.002","12.03","0.002","90","","93.25","0.03","90","","2759.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C112 H132 N12 O16 Si4 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0925","0.0678","","0.1863","0.1739","","","","1.037","1.226","1.226","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506907","6.8014","0.0001","12.835","0.0002","21.757","0.0003","90","","90","","90","","1899.3","0.05","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl Hg N O4 S -","- C18 H26 Cl Hg N O4 S -","- C72 H104 Cl4 Hg4 N4 O16 S4 -","4","1","","Nguyen, Giang; Perlmutter, Patrick; Rose, Mark L.; Vounatsos, Filisaty","A new nucleophilic addition/ring-closure sequence. Enantioselective synthesis of 3-deoxy-8-oxatropanes.","Organic letters","2004","6","6","893","895","10.1021/ol036404o","","","0.7107","MoKα","","0.0465","0.0382","","0.0358","","0.0351","","","2.553","","","2.676","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506908","12.665","0.006","13.21","0.007","13.883","0.008","104.02","0.03","95.65","0.03","95.33","0.02","2226","2","100","","100","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","2","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.129","0.057","","","0.109","0.133","","","","","","0.961","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506909","8.8878","0.0018","13.261","0.003","15.659","0.003","65.805","0.003","85.892","0.004","72.284","0.004","1600.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N6 O -","- C43 H30 N6 O -","- C86 H60 N12 O2 -","2","1","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.0679","0.0619","","","0.1539","0.1576","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506910","21.838","0.001","9.844","0.002","12.235","0.001","90","","90","","90","","2630.2","0.6","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 N O2 Si2 -","- C22 H39 N O2 Si2 -","- C88 H156 N4 O8 Si8 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","1.54178","CuKα","","0.0691","0.0522","","","0.1398","0.1528","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506911","9.245","0.001","11.945","0.001","32.509","0.001","90","","90","","90","","3590","0.5","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 N O2 Si Sn -","- C37 H45 N O2 Si Sn -","- C148 H180 N4 O8 Si4 Sn4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0682","0.0396","","","0.0607","0.0677","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506912","9.895","0.001","11.67","0.001","22.943","0.001","90","","90","","90","","2649.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C96 H156 N4 O12 Si4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0774","0.047","","","0.1048","0.1166","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506913","7.9045","0.0012","8.5305","0.0012","9.0461","0.0014","85.166","0.004","66.051","0.003","84.758","0.004","554.38","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Zeng, Yibin; Reddy, D. Srinivasa; Hirt, Erin; Aubé, Jeffrey","Domino reactions that combine an azido-Schmidt ring expansion with the Diels-Alder reaction.","Organic letters","2004","6","26","4993","4995","10.1021/ol047809r","","","0.71073","MoKα","","0.044","0.0434","","","0.1114","0.112","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506914","15.128","0.0002","6.86","0.0001","19.886","0.0004","90","","104.813","0.0007","90","","1995.14","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Depsilairdin","","","- C38 H67 N3 O10 -","- C38 H67 N3 O10 -","- C76 H134 N6 O20 -","2","1","","Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson","Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid.","Organic letters","2004","6","24","4615","4617","10.1021/ol0478786","","","0.71073","MoKα","","0.0611","0.0433","","","0.0845","0.0918","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506915","11.5796","0.0004","12.316","0.0005","12.741","0.0005","69.9597","0.0013","65.776","0.0014","88.9354","0.0012","1540.85","0.11","120","","120","","","","","","","","?","5","P -1","-P 1","2","","4'',5'-bisNN-2,2'-bipyridine","","- C28 H33 Cl3 N8 O4 -","- C28 H33 Cl3 N8 O4 -","- C56 H66 Cl6 N16 O8 -","2","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0512","","","","0.0571","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506916","6.66","0.0004","10.93","0.0005","23.157","0.0007","90","","96.362","0.0013","90","","1675.3","0.14","120","","120","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","6-bromo-5'nitronylnitroxide-2,2'-bipyridine","","- C17 H18 Br N4 O2 -","- C17 H18 Br N4 O2 -","- C68 H72 Br4 N16 O8 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0405","","","","0.0448","","","","","","1.0815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506917","6.569","","21.561","","20.662","","90","","90.8","","90","","2926.16","","120","","120","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","terpyridine","","- C29 H37 N7 O6 -","- C29 H37 N7 O6 -","- C116 H148 N28 O24 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0645","","","","0.0666","","","","","","1.0293","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506918","6.3768","0.0005","8.3652","0.0006","23.9945","0.0018","90","","90","","90","","1279.94","0.17","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O9 -","- C11 H14 O9 -","- C44 H56 O36 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0361","0.0355","","","0.0885","0.089","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506919","8.0032","0.0018","10.171","0.002","8.0938","0.0018","90","","99.584","0.005","90","","649.6","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O8 -","- C11 H14 O8 -","- C22 H28 O16 -","2","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0333","0.0291","","","0.0561","0.0572","","","","","","0.968","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506920","8.3616","0.0006","10.4148","0.0007","11.2854","0.0007","90","","90","","90","","982.78","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0348","0.034","","","0.0935","0.0942","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506921","8.0511","0.0005","14.5143","0.001","8.4402","0.0006","90","","91.624","0.001","90","","985.89","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","2","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0358","0.034","","","0.0838","0.085","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506922","14.7787","0.0008","11.8125","0.001","8.9824","0.0005","90","","116.602","0.005","90","","1402.09","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride","","- C15 H18 Cl F2 N O -","- C15 H18 Cl F2 N O -","- C60 H72 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0318","0.0293","","","0.0757","0.0776","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506923","9.6971","0.0007","15.91","0.0017","8.8887","0.0012","90","","107.646","0.009","90","","1306.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C60 H68 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0512","0.038","","","0.0933","0.101","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506924","9.0862","0.0014","12.3385","0.0019","11.885","0.003","90","","99.55","0.019","90","","1314","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8,8-difluoro-1-(morpholin-4-yl)bicyclo[5.1.0]octane hydrochloride","","- C12 H20 Cl F2 N O -","- C12 H20 Cl F2 N O -","- C48 H80 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0596","0.0418","","","0.102","0.1125","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506925","15.7559","0.0009","12.6574","0.0009","14.6957","0.0012","90","","118.97","0.005","90","","2564","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride hydrate","","- C11 H19 Cl F2 N O1.5 -","- C11 H19 Cl F2 N O1.5 -","- C88 H152 Cl8 F16 N8 O12 -","8","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0505","0.0395","","","0.0996","0.1078","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506926","12.6119","0.0008","7.2008","0.0006","16.4798","0.0013","90","","108.231","0.006","90","","1421.5","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9,9-difluoro-1-(morpholin-1-yl)bicyclo[6.1.0]nonane hydrobromide","","- C13 H22 Br F2 N O -","- C13 H22 Br F2 N O -","- C52 H88 Br4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","x-ray","0.71073","MoKalpha","","0.0514","0.0371","","","0.0904","0.0982","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506927","6.4482","0.0009","19.473","0.003","12.0535","0.0017","90","","102.17","0.003","90","","1479.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl5 N2 O2 S2 -","- C23 H31 Cl5 N2 O2 S2 -","- C46 H62 Cl10 N4 O4 S4 -","2","1","","Zhong, Yu-Wu; Izumi, Kenji; Xu, Ming-Hua; Lin, Guo-Qiang","Highly diastereoselective and enantioselective synthesis of enantiopure C2-Symmetrical vicinal diamines by reductive homocoupling of chiral N-tert-butanesulfinyl imines.","Organic letters","2004","6","25","4747","4750","10.1021/ol0479803","","","0.71073","MoKα","","0.1229","0.0526","","","0.0897","0.1081","","","","","","0.746","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506928","5.2748","0.0003","10.1002","0.0006","15.4153","0.0009","94.272","0.001","94.662","0.001","95.663","0.001","811.74","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C36 H48 N2 O6 -","2","1","","Chamberland, Stephen; Woerpel, K. A.","Using nucleophilic substitution reactions to understand how a remote alkyl or alkoxy substituent influences the conformation of eight-membered ring oxocarbenium ions.","Organic letters","2004","6","25","4739","4741","10.1021/ol047998d","","","0.71073","MoKα","","0.0627","0.0536","","","0.1419","0.1522","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506929","8.729","0.008","11.35","0.01","20.09","0.02","90","","90","","90","","1990","3","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Takano, Masashi; Umino, Akinori; Nakada, Masahisa","Synthetic studies on cyathins: enantioselective total synthesis of (+)-allocyathin B2.","Organic letters","2004","6","26","4897","4900","10.1021/ol048010i","","","0.7107","MoKα","","","0.032","","","","0.082","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506930","11.413","0.003","12.631","0.003","22.655","0.005","90","","95.192","0.004","90","","3252.5","1.4","207","2","207","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C60 H54 F12 N10 O4 P2 Ru2 -","- C59.4 H52.2 F12 N10 O3.7 P2 Ru2 -","- C118.8 H104.4 F24 N20 O7.4 P4 Ru4 -","2","0.5","","Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan","A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes.","Organic letters","2004","6","24","4519","4522","10.1021/ol048021b","","","0.71073","MoKα","","0.093","0.0672","","","0.1482","0.1559","","","","","","1.208","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506931","17.2335","0.0011","14.9473","0.0009","9.4343","0.0006","90","","97.164","0.001","90","","2411.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 O7 -","- C29 H21 N3 O7 -","- C116 H84 N12 O28 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.0697","0.053","","","0.1353","0.1468","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506932","10.5543","0.0001","12.653","0.0004","13.6927","0.0003","90","","103.879","0.001","90","","1775.19","0.07","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.1468","0.0566","","","0.1138","0.1378","","","","","","0.792","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506933","6.3777","0.001","14.081","0.0018","14.2429","0.0015","90","","97.89","0.014","90","","1267","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 N2 O5 S -","- C25 H22 Cl2 N2 O5 S -","- C50 H44 Cl4 N4 O10 S2 -","2","1","","Xu, Xin; Kotti, S. R. S. Saibabu; Liu, Junying; Cannon, John F.; Headley, Allan D.; Li, Guigen","Ionic liquid media resulted in the first asymmetric aminohalogenation reaction of alkenes.","Organic letters","2004","6","26","4881","4884","10.1021/ol048045i","","","0.71073","MoKα","","0.0723","0.0513","","","0.1161","0.1318","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506934","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji","1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.","Organic letters","2004","6","24","4563","4565","10.1021/ol048058w","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506935","11.17","0.01","16.42","0.01","24.14","0.02","90","","90","","90","","4428","6","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N Si -","- C26 H31 N Si -","- C208 H248 N8 Si8 -","8","1","","Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro","Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium.","Organic letters","2004","6","23","4339","4341","10.1021/ol048092a","","","0.7107","MoKα","","","0.054","","","","0.068","","","","","","1.168","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506936","10.6541","0.0009","9.4448","0.0008","14.5765","0.0012","90","","109.205","0.002","90","","1385.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","","Kim, Yi Jin; Lee, Daesung","Use of N-N bond stereodynamics in ring-closing metathesis to form medium-sized rings and macrocycles.","Organic letters","2004","6","23","4351","4353","10.1021/ol048136f","","","0.71073","MoKα","","0.0487","0.0391","","","0.1019","0.1067","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506937","7.423","0.0015","14.598","0.003","13.89","0.003","90","","92.82","0.03","90","","1503.3","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Muthyala, Rajeev S.; Subramaniam, Gopal; Todaro, Louis","The use of squaric acid as a scaffold for cofacial phenyl rings.","Organic letters","2004","6","25","4663","4665","10.1021/ol048139s","","","0.71073","MoKα","","0.1277","0.0698","","","0.1431","0.1666","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506938","7.2663","0.0007","9.8732","0.001","26.502","0.003","90","","95.2","0.003","90","","1893.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0824","0.0589","","","0.1538","0.168","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506939","5.794","0.001","7.595","0.002","40.65","0.006","90","","90.91","0.01","90","","1788.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O4 -","- C19 H23 Cl O4 -","- C76 H92 Cl4 O16 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0783","0.0644","","","0.1728","0.1833","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506940","8.748","0.001","9.689","0.001","11.773","0.001","81.91","0.01","85.5","0.01","66.42","0.01","905.18","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0464","0.0433","","","0.1182","0.122","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506941","20.496","0.003","10.883","0.0016","20.523","0.003","90","","114.23","0.003","90","","4174.5","1.1","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 -","- C60 H50 -","- C240 H200 -","4","0.5","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1152","0.0489","","","0.1062","0.1296","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506942","8.8482","0.0005","17.6806","0.0011","29.5631","0.0019","90","","90","","90","","4624.9","0.5","223","2","223","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C33 H28 -","- C33 H28 -","- C264 H224 -","8","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1468","0.0594","","","0.1224","0.1506","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506943","34.174","0.0017","6.545","0.0003","8.939","0.0006","90","","103.211","0.002","90","","1946.46","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 N O6 V -","- C18 H22 N O6 V -","- C72 H88 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.1029","0.0742","","","0.1643","0.1972","","","","","","1.152","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506944","6.661","0.0002","9.106","0.0002","32.605","0.001","90","","90","","90","","1977.66","0.1","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0899","0.0537","","","0.1134","0.143","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506945","9.521","0.002","32.527","0.007","6.7189","0.0013","90","","90","","90","","2080.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0695","0.0379","","0.0927","0.0824","","","","1.002","1.124","1.124","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506946","11.097","0.0004","7.218","0.0003","13.391","0.0007","90","","105.166","0.002","90","","1035.24","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N O6 V -","- C22 H22 N O6 V -","- C44 H44 N2 O12 V2 -","2","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0627","0.0519","","","0.1251","0.1396","","","","","","1.136","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506947","6.36","0.013","7.68","0.03","14.36","0.04","89.06","0.13","79.77","0.17","73.49","0.13","661","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O2 S -","- C13 H16 N2 O2 S -","- C26 H32 N4 O4 S2 -","2","1","","Han, Hoon; Bae, Imhyuck; Yoo, Eun Jeong; Lee, Junseong; Do, Youngkyu; Chang, Sukbok","Notable coordination effects of 2-pyridinesulfonamides leading to efficient aziridination and selective aziridine ring opening.","Organic letters","2004","6","22","4109","4112","10.1021/ol0481784","","","0.71073","MoKα","","0.1226","0.1092","","","0.2914","0.3048","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506948","8.8086","0.0007","8.4239","0.0006","11.2036","0.001","90","","113.233","0.003","90","","763.92","0.11","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.71073","MoKα","","0.08","0.0766","","","0.1357","0.1373","","","","","","1.327","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506949","10.2344","0.0002","9.9456","0.0003","15.2225","0.0004","90","","109.187","0.002","90","","1463.39","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C62 H84 N4 O8 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.7107","MoKα","","0.0686","0.0429","","","0.0803","0.09","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506950","10.6312","0.0006","13.4978","0.0009","24.4697","0.0016","90","","90","","90","","3511.3","0.4","243","2","243","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B F9 N2 O4 P S2 -","- C27 H43 B F9 N2 O4 P S2 -","- C108 H172 B4 F36 N8 O16 P4 S8 -","4","1","","Duncan, Andrew P.; Leighton, James L.","Enantioselective Cu-catalyzed conjugate addition of diethylzinc to acyclic aliphatic enones.","Organic letters","2004","6","22","4117","4119","10.1021/ol048191o","","","0.71073","MoKα","","0.0779","0.0526","","","0.1346","0.1472","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506951","8.6269","0.0003","6.722","0.0002","10.4529","0.0003","90","","92.173","0.002","90","","605.73","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.0401","0.0375","","","0.1341","0.1563","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506952","7.208","","7.208","","42.0575","0.0005","90","","90","","120","","1892.36","0.02","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H17 Br O4 -","- C11 H17 Br O4 -","- C66 H102 Br6 O24 -","6","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.027","0.0251","","","0.0857","0.0979","","","","","","1.152","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506953","12.7183","0.0005","15.7674","0.0007","16.5468","0.0007","67.448","0.002","67.65","0.002","71.824","0.002","2780.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O3 P2 -","- C56 H34 F24 O3 P2 -","- C112 H68 F48 O6 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1314","0.0973","","","0.2669","0.3056","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506954","28.7227","0.0013","8.4943","0.0004","17.9976","0.001","90","","109.824","0.002","90","","4130.8","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 O2 P2 -","- C48 H28 F12 O2 P2 -","- C192 H112 F48 O8 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1205","0.0656","","","0.1655","0.2044","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506955","13.3186","0.0002","14.8047","0.0002","15.3134","0.0003","85.932","0.001","72.993","0.001","73.854","0.001","2773.35","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O P2 -","- C56 H34 F24 O P2 -","- C112 H68 F48 O2 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1398","0.1057","","","0.3239","0.357","","","","","","1.412","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1506956","28.4224","0.0006","8.0575","0.0002","18.7865","0.0006","90","","110.05","0.001","90","","4041.61","0.19","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 P2 -","- C48 H28 F12 P2 -","- C192 H112 F48 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.0753","0.0608","","","0.161","0.1713","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506957","24.287","0.025","5.089","0.007","26.519","0.028","90","","103.94","0.01","90","","3181","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.0909","0.068","","0.1924","0.1703","","","","1.166","1.215","1.215","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506958","24.3","0.029","5.062","0.006","25.97","0.026","90","","102.882","0.01","90","","3114","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H39 N3 O8 -","- C29 H39 N3 O8 -","- C116 H156 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.113","0.0776","","0.1839","0.1603","","","","1.185","1.272","1.272","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506959","6.9465","0.0003","13.0021","0.0005","20.3093","0.0008","90","","90","","90","","1834.32","0.13","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C76 H104 N8 O12 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.036","0.0307","","","0.0703","0.0729","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506960","7.9972","0.0004","11.8432","0.0005","14.5588","0.0006","90","","90","","90","","1378.9","0.11","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N3 O S -","- C13 H21 N3 O S -","- C52 H84 N12 O4 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0252","0.024","","","0.0623","0.0634","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506961","7.323","0.002","17.75","0.005","19.552","0.005","81.888","0.004","88.834","0.005","88.885","0.005","2515.1","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 O3 S2 Si -","- C23 H42 O3 S2 Si -","- C92 H168 O12 S8 Si4 -","4","2","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.1355","0.1218","","","0.3458","0.3552","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506962","14.0471","0.0006","7.9277","0.0003","11.5877","0.0005","90","","102.849","0.001","90","","1258.11","0.09","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C44 H72 O12 S8 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0221","0.0218","","","0.0579","0.0583","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506963","61.439","0.002","10.1168","0.0004","31.402","0.0012","90","","97.819","0.001","90","","19337","1.2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O3 S3 -","- C23 H32 N2 O3 S3 -","- C736 H1024 N64 O96 S96 -","32","4","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0917","0.0473","","","0.1009","0.1223","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506964","12.1406","0.0018","13.1539","0.0019","12.965","0.0019","90","","113.258","0.002","90","","1902.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0695","0.0509","","","0.1321","0.1492","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506965","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.11","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.08","","","","0.1689","","","","","","2.229","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506966","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2011","2","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.0589","","","","0.1297","","","","","","1.661","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506967","15.306","0.003","11.1614","0.0018","9.8395","0.0016","90","","94.631","0.003","90","","1675.5","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","x-ray","0.71073","MoKα","","0.1004","0.073","","","0.1967","0.2173","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506968","9.4372","0.0008","20.8127","0.0016","36.61","0.003","90","","90","","90","","7190.7","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","4","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","","0.71073","MoKα","","0.142","0.0622","","","0.0992","0.1229","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506969","6.1123","0.001","19.495","0.003","9.2417","0.0016","90","","107.676","0.003","90","","1049.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F2 N2 O3 -","- C10 H12 F2 N2 O3 -","- C40 H48 F8 N8 O12 -","4","1","","Yang, Yan-Yan; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of 2',3'-dideoxy-6',6'-difluorocarbocyclic nucleosides.","Organic letters","2004","6","23","4257","4259","10.1021/ol0482947","","","0.71073","MoKα","","0.0703","0.0519","","","0.1306","0.1386","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506970","13.6603","0.0009","13.6603","0.0009","40.766","0.004","90","","90","","90","","7607.1","1","293.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C17 H24 N O2 P S -","- C17 H21 N O2 P S -","- C272 H336 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0586","","","","0.0575","","","","","","0.679","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506971","13.7121","0.0011","13.7121","0.0011","40.339","0.003","90","","90","","90","","7584.6","1","293.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-chlorophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Cl N O2 P S -","- C16 H21 Cl N O2 P S -","- C256 H336 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0508","","","","0.0472","","","","","","0.556","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506972","13.8231","0.0008","13.8231","0.0008","39.921","0.003","90","","90","","90","","7628","0.8","123.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-bromophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Br N O2 P S -","- C16 H21 Br N O2 P S -","- C256 H336 Br16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.1041","","","","0.1137","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506973","9.882","0.002","10.758","0.002","12.086","0.002","109.18","0.03","93.91","0.03","106.21","0.03","1147","0.5","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","1","0.5","","Xiao, Ji-Chang; Twamley, Brendan; Shreeve, Jean'ne M.","An ionic liquid-coordinated palladium complex: a highly efficient and recyclable catalyst for the Heck reaction.","Organic letters","2004","6","21","3845","3847","10.1021/ol048327i","","","0.71073","MoKα","","0.0621","0.0495","","","0.1057","0.1112","","","","","","1.079","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1506974","9.6476","0.0017","8.9745","0.0016","11.493","0.002","90","","97.917","0.003","90","","985.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 F3 N O5 S -","- C18 H26 F3 N O5 S -","- C36 H52 F6 N2 O10 S2 -","2","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0459","0.0421","","","0.1035","0.1059","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506975","6.4665","0.0004","17.5592","0.001","23.0312","0.0013","90","","90","","90","","2615.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F3 N O5 S -","- C28 H30 F3 N O5 S -","- C112 H120 F12 N4 O20 S4 -","4","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0314","0.0281","","","0.0791","0.0827","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506976","7.3611","0.0006","36.908","0.003","11.4393","0.0009","90","","90.954","0.001","90","","3107.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H42 Cl N O6 -","- C31 H42 Cl N O6 -","- C124 H168 Cl4 N4 O24 -","4","2","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0519","0.0485","","","0.1159","0.1176","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506977","11.692","0.0008","8.756","0.0003","18.745","0.0012","90","","98.724","0.003","90","","1896.82","0.19","298","","","","","","","","","","Nakamura laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 F3 O4 S -","- C19 H21 F3 O4 S -","- C76 H84 F12 O16 S4 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.061","0.056","","0.123","0.123","0.123","","","0.443","0.456","0.456","0.456","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506978","8.134","0.0002","12.218","0.0007","18.929","0.0009","90","","90","","90","","1881.19","0.15","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.04","0.039","","0.091","0.091","0.091","","","0.235","0.234","0.234","0.234","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506979","6.368","0.0003","8.179","0.0003","38.824","0.0009","90","","90","","90","","2022.1","0.13","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.044","0.042","","0.094","0.094","0.094","","","0.297","0.294","0.294","0.294","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506980","15.563","0.0009","20.862","0.0011","12.575","0.0004","90","","99.303","0.003","90","","4029.1","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C160 H224 O56 -","8","2","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.081","0.073","","0.186","0.184","0.184","","","0.526","0.552","0.552","0.552","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506981","8.661","0.0004","9.298","0.0007","12.915","0.001","90.589","0.004","99.965","0.005","108.2","0.005","970.81","0.12","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C17 H26 O6 Si -","- C17 H26 O6 Si -","- C34 H52 O12 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.054","0.05","","0.103","0.103","0.103","","","0.355","0.347","0.347","0.347","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506982","6.424","0.0014","12.052","0.004","12.936","0.005","106.82","","103.22","0.02","105.12","0.02","873.9","0.5","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C15 H24 O4 Si -","- C15 H24 O4 Si -","- C30 H48 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.114","0.079","","0.204","0.197","0.197","","","0.927","0.598","0.598","0.598","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506983","10.319","0.0011","10.573","0.0006","10.446","0.001","90","","114.405","0.005","90","","1037.85","0.17","298","","","","","","","","","","Nakamura laboratory","4","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 Si -","- C21 H28 O4 Si -","- C42 H56 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.1","0.091","","0.327","0.326","0.326","","","0.933","0.819","0.819","0.819","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506984","14.929","0.002","5.821","0.0003","21.044","0.002","90","","133.076","0.01","90","","1335.8","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O6 -","- C28 H34 O6 -","- C56 H68 O12 -","2","0.5","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.168","0.141","","0.318","0.315","0.315","","","0.983","1.128","1.128","1.128","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506985","12.038","0.002","10.37","0.0006","18.678","0.002","90","","107.431","0.005","90","","2224.6","0.5","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O9 -","- C24 H24 O9 -","- C96 H96 O36 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.138","0.091","","0.184","0.176","0.176","","","1.348","1.355","1.355","1.355","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506986","9.973","0.0005","11.377","0.001","10.87","0.001","94.578","0.004","99.652","0.005","104.643","0.005","1166.7","0.16","298","","","","","","","","","","Nakamura laboratory","3","P -1","-P 1","2","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C54 H60 O12 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.173","0.167","","0.486","0.486","0.486","","","1.142","1.242","1.242","1.242","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506987","13.4279","0.0002","16.455","0.0002","17.0828","0.0002","90","","90","","90","","3774.55","0.08","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 N2 O3 Si2 -","- C40 H50 N2 O3 Si2 -","- C160 H200 N8 O12 Si8 -","4","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0721","0.0419","","","0.0858","0.0978","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506988","11.5143","0.0003","13.7567","0.0004","12.1798","0.0004","90","","115.37","0.0013","90","","1743.21","0.09","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H50 N2 O3 Si2 -","- C33 H50 N2 O3 Si2 -","- C66 H100 N4 O6 Si4 -","2","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0447","0.04","","","0.0996","0.1042","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506989","22.321","0.005","23.158","0.005","10.204","0.005","90","0.005","90","0.005","90","0.005","5275","3","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H40 S -","- C36 H40 S -","- C288 H320 S8 -","8","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0459","0.0406","","","0.0903","0.0921","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506990","22.182","0.005","9.474","0.005","19.654","0.005","90","0.005","90","0.005","90","0.005","4130","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H44 Cl10 S Sb -","- C38 H44 Cl10 S Sb -","- C152 H176 Cl40 S4 Sb4 -","4","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0844","0.0411","","","0.0504","0.0561","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506991","21.228","0.005","13.527","0.005","27.025","0.005","90","0.005","90","0.005","90","0.005","7760","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cl9 S Sb -","- C37 H42 Cl9 S Sb -","- C296 H336 Cl72 S8 Sb8 -","8","1","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0924","0.043","","","0.053","0.058","","","","","","0.858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506992","8.66","0.001","13.115","0.001","23.23","0.001","90","","90","","90","","2638.4","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0714","0.0564","","","0.1411","0.1524","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506993","8.88","0.001","18.897","0.001","14.191","0.001","90","","100.24","0.01","90","","2343.4","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0755","0.0535","","","0.1431","0.1581","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506994","8.395","0.001","16.627","0.001","17.977","0.001","90","","92.14","0.01","90","","2507.5","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O5 -","- C25 H39 N O5 -","- C100 H156 N4 O20 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0523","0.0419","","","0.1306","0.1373","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506995","9.286","0.0011","9.9036","0.0012","17.026","0.002","86.919","0.002","78.776","0.002","70.616","0.002","1448.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 6","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Hwang, Sung Hee; Lehman, Alan; Cong, Xin; Olmstead, Marilyn M.; Lam, Kit S.; Lebrilla, Carlito B.; Kurth, Mark J.","OBOC small-molecule combinatorial library encoded by halogenated mass-tags.","Organic letters","2004","6","21","3829","3832","10.1021/ol048408e","","","0.71073","MoKα","","0.0637","0.041","","","0.0918","0.0959","","","","","","0.865","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506996","28.551","0.009","5.731","0.002","12.165","0.003","90","","107.15","0.02","90","","1902","1","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C84 H80 Cl4 Rh4 -","2","0.5","","Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio","Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.","Organic letters","2004","6","19","3425","3427","10.1021/ol048421z","","","0.7107","MoKα","","","0.038","","","","0.063","","","","","","0.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506997","5.321","0.0008","18.986","0.003","9.2062","0.0014","90","","99.43","0.003","90","","917.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 F2 N O4 S -","- C17 H21 F2 N O4 S -","- C34 H42 F4 N2 O8 S2 -","2","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.0715","0.0528","","","0.0948","0.102","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506998","11.017","0.002","9.2673","0.0019","17.859","0.004","90","","107.935","0.004","90","","1734.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 N O6 -","- C14 H25 F2 N O6 -","- C56 H100 F8 N4 O24 -","4","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.1547","0.0543","","","0.1163","0.141","","","","","","0.772","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1506999","22.8855","0.0009","16.1409","0.0006","17.7713","0.0007","90","","124.173","0.001","90","","5431.2","0.4","200","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zimmerman, Howard E.; Pushechnikov, Alexei","Synthesis of a highly reactive heterocyclic reactant and its unusual photochemistry; mechanistic and exploratory organic photochemistry.","Organic letters","2004","6","21","3779","3780","10.1021/ol048438h","","","0.71073","MoKα","","0.0557","0.0432","","","0.1159","0.131","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507000","8.9324","0.0008","18.4511","0.0016","14.0752","0.0012","90","","92.582","0.002","90","","2317.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N2 O2.5 S -","- C22 H32 N2 O2.4405 S -","- C88 H128 N8 O9.762 S4 -","4","2","","Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang","Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.","Organic letters","2004","6","22","3953","3956","10.1021/ol048444d","","","0.71073","MoKα","","0.1232","0.059","","","0.1309","0.1845","","","","","","0.888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507001","56.1718","0.0013","10.7872","0.0002","22.9569","0.0006","90","","101.543","0.001","90","","13629.1","0.5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C400 H624 Cl24 F48 N24 O124 P24 -","8","1","","Hung, Wei-Chung; Liao, Kang-Shyang; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Mild and high-yielding syntheses of diethyl phosphoramidate-stoppered [2]rotaxanes.","Organic letters","2004","6","23","4183","4186","10.1021/ol0484557","","","0.71073","MoKα","","0.2418","0.1386","","","0.3632","0.4067","","","","","","1.224","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507002","6.1035","0.0003","8.9701","0.0005","9.7458","0.0005","117.015","0.001","93.643","0.001","94.915","0.001","470.44","0.04","170.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","1","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0293","","","","0.0335","","","","","","1.411","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507003","8.2637","0.0004","8.5345","0.0004","21.871","0.001","90","","90","","90","","1542.49","0.13","169.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O2 S2 -","- C14 H28 N2 O2 S2 -","- C56 H112 N8 O8 S8 -","4","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0335","","","","0.0432","","","","","","1.953","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507004","8.9292","0.0017","13.439","0.003","16.334","0.003","109.518","0.003","99.424","0.004","93.348","0.004","1809","0.6","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N2 O11 -","- C38 H44 N2 O11 -","- C76 H88 N4 O22 -","2","1","","Davies, Mark W.; Maskell, Lesley; Shipman, Michael; Slawin, Alexandra M. Z.; Vidot, Sandrine M. E.; Whatmore, Jacqueline L.","Studies toward the synthesis of luminacin D: assembly of simplified analogues devoid of the epoxide displaying antiangiogenic activity.","Organic letters","2004","6","22","3909","3912","10.1021/ol048462v","","","0.71073","MoKα","","0.1365","0.0732","","","0.166","0.2","","","","","","1.011","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507005","9.6884","0.0011","17.902","0.002","11.163","0.0013","90","","93.511","0.002","90","","1932.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03113b","","","- C18 H24 I N O3 -","- C18 H24 I N O3 -","- C72 H96 I4 N4 O12 -","4","2","","Koposov, Alexey Y.; Boyarskikh, Vyacheslav V.; Zhdankin, Viktor V.","Amino acid-derived iodobenzene dicarboxylates: reagents for oxidative conversion of alkenes to amino acid esters.","Organic letters","2004","6","20","3613","3615","10.1021/ol0484714","","","0.71073","MoKα","","0.0648","0.0513","","","0.1318","0.1418","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507006","9.5718","0.0009","6.7804","0.0006","19.5091","0.0018","90","","99.319","0.002","90","","1249.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 Cl2 O3 -","- C12 H14 Cl2 O3 -","- C48 H56 Cl8 O12 -","4","2","","Kim, Tae Woo; Kool, Eric T.","A set of nonpolar thymidine nucleoside analogues with gradually increasing size.","Organic letters","2004","6","22","3949","3952","10.1021/ol048487u","","","0.71073","MoKα","","0.0419","0.0345","","","0.0722","0.0742","","","","","","0.964","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507007","36.82","0.003","29.693","0.003","38.2","0.003","90","","113.646","0.002","90","","38257","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H81 Br N8 O9 -","- C87.885 H36.5 Br0.9 N8 O8.7575 -","- C1406.16 H584 Br14.4 N128 O140.12 -","16","2","","Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo","Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene.","Organic letters","2004","6","22","3893","3896","10.1021/ol048539f","","","0.71073","MoKα","","0.4691","0.2233","","","0.5004","0.5895","","","","","","1.296","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507008","8.7139","0.0008","12.3265","0.0012","19.2851","0.0019","90","","101.066","0.002","90","","2032.9","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MAGYT03","","","- C24 H26 O3 S -","- C24 H26 O3 S -","- C96 H104 O12 S4 -","4","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.1278","0.0671","","","0.1427","0.1654","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507009","9.1625","0.0006","9.4824","0.0007","11.9168","0.0008","74.035","0.001","74.343","0.001","71.973","0.001","927.03","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT04","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.0758","0.0591","","","0.1519","0.1625","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507010","8.3304","0.0002","9.7389","0.0003","11.381","0.0003","75.956","0.001","88.214","0.001","83.302","0.001","889.61","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MAGYT05","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C42 H40 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.058","0.0554","","","0.1447","0.1468","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507011","14.065","0.004","13.737","0.004","21.407","0.006","90","","97.789","0.004","90","","4098","2","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 F6 P2 Rh Sb -","- C44 H38 Cl2 F6 P2 Rh Sb -","- C176 H152 Cl8 F24 P8 Rh4 Sb4 -","4","1","","Mikami, Koichi; Kataoka, Shohei; Yusa, Yukinori; Aikawa, Kohsuke","Racemic but tropos (chirally flexible) BIPHEP ligands for Rh(I)-complexes: highly enantioselective ene-type cyclization of 1,6-enynes.","Organic letters","2004","6","21","3699","3701","10.1021/ol048604l","","","0.7107","MoKα","","","0.062","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507012","6.2915","0.001","16.082","0.003","30.679","0.005","90","","90","","90","","3104.1","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C140 H216 O8 -","4","1","","Chen, Shui-Ling; Hu, Qi-Ying; Loh, Teck-Peng","Highly efficient chemical kinetic resolution of bishomoallylic alcohols: synthesis of (R)-sulcatol.","Organic letters","2004","6","19","3365","3367","10.1021/ol048608q","","","0.71073","MoKα","","0.1117","0.083","","","0.1702","0.1836","","","","","","1.102","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507013","7.8878","0.0011","26.234","0.004","8.5049","0.0012","90","","98.916","0.003","90","","1738.6","0.4","190","2","190","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0422","0.0411","","","0.0999","0.1008","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507014","8.7254","0.0006","11.6057","0.0008","14.7488","0.001","95.048","0.001","103.587","0.001","92.874","0.001","1442.23","0.17","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N3 O4 -","- C37 H29 N3 O4 -","- C74 H58 N6 O8 -","2","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0733","0.0462","","","0.0872","0.0938","","","","","","0.968","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507015","15.6207","0.0014","8.2864","0.0007","25.983","0.002","90","","97.171","0.002","90","","3336.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 N2 O6 -","- C42 H32 N2 O6 -","- C168 H128 N8 O24 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0746","0.0482","","","0.0982","0.108","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507016","8.5498","0.0005","14.413","0.001","14.731","0.002","89.934","0.004","90.007","0.006","82.093","0.002","1798","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cu I N Si -","- C12.8 H15.2 Cu0.8 I0.8 N0.8 Si0.8 -","- C64 H76 Cu4 I4 N4 Si4 -","5","2.5","","Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi","Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.","Organic letters","2004","6","21","3695","3698","10.1021/ol048620i","","","0.7107","MoKα","","","0.041","","","","0.068","","","","","","2.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507017","6.7316","0.0003","6.8747","0.0004","7.3778","0.0004","97.952","0.002","111.418","0.002","109.334","0.002","286.57","0.03","100","","","","","","","","","","Eschenmoser group","4","P -1","-P 1","2","","","","- C5 H4 N4 O2 -","- C5 H4 N4 O2 -","- C10 H8 N8 O4 -","2","1","","Han, Bo; Jaun, Bernhard; Krishnamurthy, Ramanarayanan; Eschenmoser, Albert","Mannich-type C-nucleosidations in the 5,8-diaza-7,9-dicarba-purine family.","Organic letters","2004","6","21","3691","3694","10.1021/ol048649m","","","0.71073","MoKα","","0.0669","0.0527","","","0.154","0.168","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507018","8.5098","0.0002","11.748","0.0002","12.9896","0.0004","76.8314","0.001","86.725","0.001","68.9497","0.001","1179.64","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","1","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0813","0.0534","","","0.1455","0.1622","","","","","","1.069","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507019","11.223","0.0001","17.554","0.0002","22.035","0.0003","91.115","0.0006","99.432","0.0006","95.104","0.0005","4262.85","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 S2 Si2 -","- C48 H50 S2 Si2 -","- C192 H200 S8 Si8 -","4","2","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1675","0.1183","","","0.3257","0.3475","","","","","","2.234","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507020","8.7865","0.0003","17.6967","0.0007","12.1065","0.0005","90","","90.4638","0.0018","90","","1882.4","0.13","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 S2 Si2 -","- C40 H50 S2 Si2 -","- C80 H100 S4 Si4 -","2","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1011","0.0452","","","0.086","0.1009","","","","","","1.389","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507021","8.6921","0.0002","17.7256","0.0004","13.3778","0.0003","90","","100.094","0.001","90","","2029.25","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 S2 Si2 -","- C44 H52 S2 Si2 -","- C88 H104 S4 Si4 -","2","1","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0958","0.0552","","","0.1131","0.1294","","","","","","1.015","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507022","9.095","0.005","9.85","0.005","24.523","0.005","90","0.005","92.51","0.005","90","0.005","2194.8","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-sila-2-indenyl)benzene","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","1","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.71069","MoKα","","0.0583","0.0451","","","0.1092","0.1162","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507023","6.75","0.004","16.542","0.01","20.635","0.012","90","","90","","90","","2304","2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","0.5","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.7107","MoKα","","0.0638","0.0574","","","0.1533","0.1597","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507024","10.713","0.001","12.332","0.002","15.377","0.003","82.115","0.012","82.148","0.012","62.851","0.008","1784.3","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Cl2 N3 S3 -","- C43 H29 Cl2 N3 S3 -","- C86 H58 Cl4 N6 S6 -","2","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.078","","","","0.173","","","","","","0.926","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507025","27.6","0.03","9.129","0.008","15.39","0.01","90","","94.647","0.013","90","","3865","6","113.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H27 F6 N3 P S3 -","- C42 H27 F6 N3 P S3 -","- C168 H108 F24 N12 P4 S12 -","4","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.087","","","","0.234","","","","","","0.934","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507026","21.64","0.003","5.7416","0.0007","9.5059","0.0012","90","","92.236","0.002","90","","1180.2","0.3","206","2","206","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C48 H60 N4 O8 S4 -","4","1","","Dong, Chune; Alper, Howard","Highly regioselective synthesis of tetrahydro-2H-1,3-thiazin-2-ones via rhodium-catalyzed carbonylation of N-alkylisothiazolidines.","Organic letters","2004","6","20","3489","3492","10.1021/ol048706b","","","0.71073","MoKα","","0.0957","0.0609","","","0.1262","0.1377","","","","","","1.073","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507027","9.2256","0.0004","16.5536","0.0008","21.0141","0.001","90","","90","","90","","3209.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Fe N2 O3 P -","- C37 H35 Fe N2 O3 P -","- C148 H140 Fe4 N8 O12 P4 -","4","1","","Hou, Xue-Long; Sun, Na","Construction of chiral quaternary carbon centers by Pd-catalyzed asymmetric allylic substitution with P,N-1,1'-ferrocene ligands.","Organic letters","2004","6","24","4399","4401","10.1021/ol048729q","","","0.71073","MoKα","","0.0995","0.0362","","","0.0482","0.0539","","","","","","0.645","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507028","14.1031","0.0014","14.1003","0.0011","7.1912","0.0007","90","","104.698","0.008","90","","1383.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N O -","- C17 H12 F3 N O -","- C68 H48 F12 N4 O4 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.0541","0.0406","","","0.1028","0.1089","","","","","","1.057","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507029","7.588","0.0008","21.2436","0.0017","7.9723","0.0009","90","","92.095","0.009","90","","1284.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.047","0.0342","","","0.0856","0.0908","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507030","8.3974","0.0015","9.0952","0.0013","10.0046","0.0015","95.733","0.017","111.551","0.018","97.026","0.019","696.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.076","0.039","","","0.0831","0.093","","","","","","0.849","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507031","9.8136","0.001","37.446","0.004","15.032","0.0016","90","","90.095","0.002","90","","5524","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","4","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.1334","0.0852","","","0.1495","0.1701","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507032","17.5841","0.0015","9.7852","0.0008","18.2955","0.0015","90","","110.924","0.001","90","","2940.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Br2 N O2 S -","- C34 H27 Br2 N O2 S -","- C136 H108 Br8 N4 O8 S4 -","4","1","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.0611","0.0457","","","0.125","0.1357","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507033","10.9208","0.0019","19.911","0.004","7.9921","0.0014","90","","90","","90","","1737.8","0.6","206","2","206","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sauer, Effiette L. O.; Barriault, Louis","Studies toward the total synthesis of Wiedemannic acid.","Organic letters","2004","6","19","3329","3332","10.1021/ol0487635","","","0.71073","MoKα","","0.0887","0.0646","","","0.1373","0.1455","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507034","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Scott, Mark E.; Han, Wooseok; Lautens, Mark","A highly diastereoselective MgI2-mediated ring expansion of methylenecyclopropanes.","Organic letters","2004","6","19","3309","3312","10.1021/ol048769u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507035","13.408","0.001","15.869","0.001","9.591","0.001","90","","90","","90","","2040.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","(20E,1S,4R,7S,10S,13R,16S)-4,13-dibenzyl-7,8,16,17- di(propane-1,3-diyl)-2,5,8,11,14,17-hexaaza- bicyclo[8.8.4]docos-20-ene-3,6,9,12,15,18-hexaone","","- C36 H52 N6 O11 -","- C36 H52 N6 O11 -","- C72 H104 N12 O22 -","2","0.5","","Giovannoni, Jérôme; Didierjean, Claude; Durand, Philippe; Marraud, Michel; Aubry, André; Renaut, Patrice; Martinez, Jean; Amblard, Muriel","Synthesis and structure of symmetrical bicyclic hexapeptides bridged by metathesis reaction.","Organic letters","2004","6","20","3449","3452","10.1021/ol0487940","","x-ray","1.5418","CuKα","","0.0615","0.0589","","","0.1676","0.1731","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507036","13.815","0.004","30.518","0.009","11.346","0.004","90","","109.457","0.006","90","","4510","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N O7 -","- C55 H57 N O7 -","- C220 H228 N4 O28 -","4","1","","Bu, Jian-Hua; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","New fluorescence-quenching process through resumption of PET process induced by complexation of alkali metal ion.","Organic letters","2004","6","19","3301","3303","10.1021/ol0487985","","","0.71073","MoKα","","0.2026","0.0794","","","0.1723","0.2152","","","","","","1.026","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507037","10.057","0.003","5.0142","0.0014","14.802","0.004","90","","102.739","0.006","90","","728.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C34 H30 Br2 O2 -","2","1","","Li, Ming; Yan, Xiao-Xia; Hong, Wei; Zhu, Xia-Zhen; Cao, Bo-Xun; Sun, Jie; Hou, Xue-Long","Palladium-catalyzed enantioselective ring opening of oxabicyclic alkenes with organozinc halides.","Organic letters","2004","6","16","2833","2835","10.1021/ol048816i","","","0.71073","MoKα","","0.1153","0.0676","","","0.1446","0.1676","","","","","","0.928","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507038","4.776","0.001","13.918","0.003","14.7","0.003","90","","90","","90","","977.1","0.4","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C10 H4 S4 -","- C10 H4 S4 -","- C40 H16 S16 -","4","0.5","","Nenajdenko, Valentine G.; Sumerin, Viktor V.; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S.","A new route to annulated oligothiophenes.","Organic letters","2004","6","20","3437","3439","10.1021/ol048835s","","","0.71073","MoKα","","0.035","0.027","","","0.0671","0.0686","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507039","9.62","0.002","13.402","0.002","15.351","0.003","106.18","0.02","96.31","0.02","98.8","0.02","1854","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N6 O6 -","- C42 H42 N6 O6 -","- C84 H84 N12 O12 -","2","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","1.5418","CuKα","","0.0684","0.0611","","","0.1695","0.1769","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507040","33.03","0.001","33.03","0.001","56.6","0.003","90","","90","","120","","53477","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C118 H117 Cl N16 O18 -","- C118 H117 Cl N16 O18 -","- C2124 H2106 Cl18 N288 O324 -","18","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","0.71073","MoKα","","0.2166","0.1258","","","0.3308","0.4137","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507041","11.5732","0.0007","13.1817","0.0008","13.4093","0.0008","90","","94.826","0.001","90","","2038.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O3 Sn -","- C17 H24 F3 N O3 Sn -","- C68 H96 F12 N4 O12 Sn4 -","4","1","","Schulz, Mark J.; Coats, Steven J.; Hlasta, Dennis J.","Microwave-assisted preparation of aryltetrazoleboronate esters.","Organic letters","2004","6","19","3265","3268","10.1021/ol048896q","","","0.71073","MoKα","","0.0316","0.0288","","","0.0805","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507042","9.7408","0.0004","17.4668","0.0007","25.7256","0.0012","90","","90","","90","","4377","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4:15,16-dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1(21),3,15,18(22),19-pentaen-22-ol","","- C26 H28 O5 -","- C26 H28 O5 -","- C208 H224 O40 -","8","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2851","0.067","","","0.0983","0.1496","","","","","","0.936","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507043","15.8459","0.0002","16.8743","0.0003","19.5577","0.0004","71.975","0.001","75.676","0.001","72.658","0.001","4676.92","0.14","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 aniline solvate","","- C115 H112.5 N4.5 O12 -","- C115 H102 N4.5 O12 -","- C230 H204 N9 O24 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2074","0.0681","","","0.1462","0.185","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507044","12.3043","0.0003","12.9833","0.0003","15.1589","0.0004","78.598","0.001","71.58","0.001","64.698","0.001","2071.61","0.09","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 ethylenediamine/dichloromethane inclusion complex","","- C47 H50 Cl2 N2 O6 -","- C47 H50 Cl2 N2 O6 -","- C94 H100 Cl4 N4 O12 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.1354","0.0511","","","0.1088","0.1321","","","","","","0.9","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507045","9.2697","0.0003","12.5253","0.0003","12.7887","0.0004","98.471","0.001","107.044","0.001","110.474","0.001","1277.17","0.07","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 phenylisopropylamine inclusion complex","","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","1","0.5","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.111","0.0737","","","0.1951","0.2205","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507046","5.8657","0.0002","13.2154","0.0004","30.0592","0.001","90","","90","","90","","2330.12","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:15,16-Dibenzo-5,14-dioxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C28 H32 O3 -","- C28 H32 O3 -","- C112 H128 O12 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.1755","0.0627","","","0.12","0.1505","","","","","","0.901","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507047","11.4843","0.0002","23.5263","0.0003","8.0456","0.0001","90","","90","","90","","2173.79","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,4:15,16-Dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.073","0.0528","","","0.1377","0.1497","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507048","18.0398","0.0005","8.829","0.0005","25.0282","0.0002","90","","107.302","0.003","90","","3805.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]-dotriaconta-1,3,9,11,16,18,24,26-octaene-31,32-dione acetonitrile dichloromethane solvate","","- C91.5 H86 Cl3 N O12 -","- C91.5 H83 Cl3 N O12 -","- C183 H166 Cl6 N2 O24 -","2","0.25","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.2822","0.1016","","","0.2066","0.2711","","","","","","0.948","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507049","14.167","0.003","6.0636","0.0011","15.534","0.003","90","","101.632","0.008","90","","1307","0.4","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-(2'-Methylphenyl)ethanol (1S,2R)-2-amino-1,2-diphenylethanol benzoic acid","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C60 H66 N2 O8 -","2","1","","Kobayashi, Yuka; Kodama, Koichi; Saigo, Kazuhiko","Supramolecular architecture consisting of an enantiopure amine and an achiral carboxylic acid: application to the enantioseparation of racemic alcohols.","Organic letters","2004","6","17","2941","2944","10.1021/ol048948b","","","0.7107","MoKα","","","0.062","","","","0.109","","","","","","0.967","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507050","10.471","0.002","9.614","0.002","22.286","0.005","90","","96.47","0.02","90","","2229.2","0.8","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C96 H80 N8 O36 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0626","0.0365","","","0.0836","0.0892","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507051","21.029","0.005","13.441","0.003","8.726","0.002","90","","94.38","0.02","90","","2459.2","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0931","0.0386","","","0.0666","0.0757","","","","","","0.81","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507052","14.663","0.003","10.387","0.001","16.994","0.003","90","","110.84","0.01","90","","2418.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0802","0.0389","","","0.0791","0.0877","","","","","","0.829","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507053","5.2929","0.0009","12.414","0.002","24.582","0.004","90","","94.917","0.003","90","","1609.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C56 H56 N8 O20 S8 -","4","1","","Sanchez, Sylvie; Bateson, John H.; O'Hanlon, Peter J; Gallagher, Timothy","S-alkyl dithioformates as 1,3-dipolarophiles. Generation of C(2)-unsubstituted penems.","Organic letters","2004","6","16","2781","2783","10.1021/ol048991z","","","0.71073","MoKα","","0.1516","0.0551","","","0.094","0.1172","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507054","16.099","","18.769","","16.86","","90","","91.67","","90","","5092.29","","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 O12 -","- C51 H71 O12 -","- C204 H284 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Martino, Marco; Gavuzzo, Enrico; Neri, Placido","Oxygenation of calixarene phenol rings.","Organic letters","2004","6","18","3027","3030","10.1021/ol048992r","","","1.54178","CuKα","","0.083","0.083","","0.089","0.089","","","","4.234","4.234","4.234","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507055","11.856","0.0003","24.0874","0.0006","24.6255","0.0007","90","","90","","90","","7032.6","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C284 H288 Cl8 N8 P8 Ru4 Si8 -","4","1","","Hu, Aiguo; Ngo, Helen L.; Lin, Wenbin","4,4'-Disubstituted BINAPs for highly enantioselective Ru-catalyzed asymmetric hydrogenation of ketones.","Organic letters","2004","6","17","2937","2940","10.1021/ol048993j","","","0.71073","MoKα","","0.0692","0.0615","","","0.1763","0.1835","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507056","12.75","0.003","12.54","0.002","33.75","0.007","90","","99.36","0.03","90","","5324.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","calixarene","","","- C53 H66 Cl3 N3 O6 -","- C53 H66 Cl3 N3 O6 -","- C212 H264 Cl12 N12 O24 -","4","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Kushnir, Oleg V.; Tsymbal, Ivan F.; Lipkowski, Janusz; Shivanyuk, Alexander; Kalchenko, Vitaly I.","Selective mono-O-acylation of C2V-symmetrical calix[4]arenediols with acylisocyanates.","Organic letters","2004","6","16","2769","2772","10.1021/ol049030n","","","0.71073","MoKα","","0.1338","0.0839","","","0.2227","0.2916","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507057","11.134","0.0005","6.498","0.0003","10.429","0.0005","90","","90","","90","","754.52","0.06","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo-oxide","","- C7 H8 O S2 -","- C7 H8 O S2 -","- C28 H32 O4 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0281","0.0279","","","0.0793","0.0796","","","","","","1.193","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507058","19.794","0.002","6.216","0.0007","12.889","0.0013","90","","90","","90","","1585.9","0.3","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo, 8-exo-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C56 H64 O16 S16 -","8","2","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0773","0.069","","","0.1801","0.1868","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507059","6.8235","0.0008","10.803","0.002","11.2552","0.0014","90","","107.058","0.009","90","","793.2","0.2","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","7,8-Dithiabicyclo[4.2.1]nona-2,4-diene 7,7-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0357","0.0355","","","0.097","0.097","","","","","","1.142","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507060","25.122","0.008","7.078","0.002","7.922","0.003","90","","90","","90","","1408.6","0.8","298","","","","","","","","","","Local laboratory","4","P n m a","-P 2ac 2n","62","","8-Thiabicyclo[3.2.1]octa-2,6-diene 8,8-dioxide","","- C7 H8 O2 S2 -","- C7 H5 O2 S -","- C56 H40 O16 S8 -","8","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0993","0.0934","","","0.244","0.2494","","","","","","1.154","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507061","14.0191","0.0002","9.9445","0.0001","18.9747","0.0003","90","","102.571","0.0013","90","","2581.9","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 N4 O8 -","- C60 H62 N4 O8 -","- C120 H124 N8 O16 -","2","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0611","0.0443","","","0.1184","0.1299","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507062","15.0209","0.0002","17.1924","0.0002","17.7209","0.0003","68.0524","0.0007","86.0962","0.0007","89.2137","0.0007","4234.49","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H169.93 Cl4 N4 Pd4.04 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","1","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0918","0.0506","","","0.117","0.1277","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507063","8.8599","0.0009","20.656","0.002","9.0612","0.0009","90","","114.216","0.002","90","","1512.4","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Wolckenhauer, Scott A.; Rychnovsky, Scott D.","Generation and utility of tertiary alpha-aminoorganolithium reagents.","Organic letters","2004","6","16","2745","2748","10.1021/ol049039p","","","0.71073","MoKα","","0.0633","0.0422","","","0.0958","0.1098","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507064","10.733","0.001","6.3666","0.0005","24.617","0.002","90","","94.813","0.003","90","","1676.2","0.2","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O3 Si -","- C15 H23 N O3 Si -","- C60 H92 N4 O12 Si4 -","4","1","","Suga, Seiji; Kageyama, Yasuhisa; Babu, Govindarajulu; Itami, Kenichiro; Yoshida, Jun-ichi","Cationic carbohydroxylation of alkenes and alkynes using the cation pool method.","Organic letters","2004","6","16","2709","2711","10.1021/ol049049q","","","0.7107","MoKα","","","0.046","","","","0.016","","","","","","9.488","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507065","8.6888","0.0012","16.996","0.002","43.583","0.006","90","","90","","90","","6436.1","1.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72.1 H84.4 N6 O6.1 -","- C72.1 H78 N6 O6.1 -","- C288.4 H312 N24 O24.4 -","4","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1372","0.0603","","","0.144","0.1575","","","","","","0.832","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507066","15.5481","0.0017","26.735","0.003","27.74","0.003","90","","90","","90","","11531","2","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46.5 H69 Cl3 N6 O14.5 Zn3 -","- C46.5 H69 Cl3.005 N6 O14.5 Zn3 -","- C372 H552 Cl24.04 N48 O116 Zn24 -","8","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1586","0.0857","","","0.1911","0.2239","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507067","10.9757","0.0013","15.4466","0.0018","13.6421","0.0013","90","","99.547","0.002","90","","2280.8","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.2607","0.0659","","","0.1331","0.1837","","","","","","0.771","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507068","8.8406","0.001","9.5462","0.0011","16.604","0.002","88.872","0.002","74.665","0.002","65.16","0.002","1219.7","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O5 -","- C30 H28 O5 -","- C60 H56 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1964","0.0578","","","0.1096","0.1516","","","","","","0.807","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507069","11.246","0.0007","14.8004","0.0009","16.0461","0.001","109.146","0.0012","90.7286","0.0012","109.001","0.0011","2364.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H66.5 Na O5 -","- C49.5 H66.5 Na O5 -","- C99 H133 Na2 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1299","0.0938","","","0.2611","0.298","","","","","","1.029","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507070","11.2747","0.0002","12.9814","0.0002","16.4661","0.0004","79.582","0.001","85.451","0.001","85.545","0.001","2357.87","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","resorcinarene","","","- C52 H72 O12 -","- C52 H72 O12 -","- C104 H144 O24 -","2","1","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0632","0.0521","","","0.1349","0.1433","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507071","16.3988","0.0004","17.0717","0.0004","22.1524","0.0005","97.988","0.001","109.672","0.001","96.773","0.001","5692.1","0.2","173","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H88 O12 -","- C60 H83.5 O12 -","- C240 H334 O48 -","4","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1935","0.0918","","","0.178","0.2202","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507072","18.0215","0.0002","24.0218","0.0003","36.5073","0.0004","90","","90","","90","","15804.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C494 H532 Br32 Cl92 O128 -","8","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1125","0.0785","","","0.2057","0.2279","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507073","17.9079","0.0004","16.969","0.0004","22.4574","0.0003","90","","103.24","0.001","90","","6642.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.1 H72 Cl O25.1 -","- C65.11 H72 Cl O25.11 -","- C260.44 H288 Cl4 O100.44 -","4","0.5","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0975","0.0633","","","0.1745","0.1975","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507074","20.959","0.002","9.5785","0.0009","10.3711","0.001","90","","90","","90","","2082.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H28 N4 O5 -","- C17 H28 N4 O5 -","- C68 H112 N16 O20 -","4","1","","Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun","Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.","Organic letters","2004","6","13","2269","2272","10.1021/ol0491890","","","0.71073","MoKα","","0.15","0.0467","","","0.0616","0.0759","","","","","","0.693","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507075","8.2921","0.0017","11.639","0.002","12.066","0.002","64.65","0.03","88.22","0.03","74.29","0.03","1008.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N5 O6 -","- C19 H21 N5 O6 -","- C38 H42 N10 O12 -","2","1","","Mase, Nobuyuki; Thayumanavan, Rajeswari; Tanaka, Fujie; Barbas, 3rd, Carlos F","Direct asymmetric organocatalytic Michael reactions of alpha,alpha-disubstituted aldehydes with beta-nitrostyrenes for the synthesis of quaternary carbon-containing products.","Organic letters","2004","6","15","2527","2530","10.1021/ol049196o","","","0.71073","MoKα","","0.1614","0.074","","","0.1795","0.2328","","","","","","0.989","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507076","28.606","0.011","5.033","0.002","13.201","0.005","90","","111.107","0.006","90","","1773.1","1.2","180","2","180","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Double-bent [5]phenylene","","","- C30 H14 -","- C30 H14 -","- C120 H56 -","4","0.5","","Bong, Dennis T.-Y.; Chan, Eugene W. L.; Diercks, Rainer; Dosa, Peter I.; Haley, Michael M.; Matzger, Adam J.; Miljanić, Ognjen S; Vollhardt, K Peter C; Bond, Andrew D.; Teat, Simon J.; Stanger, Amnon","Syntheses of syn and anti doublebent [5]phenylene.","Organic letters","2004","6","13","2249","2252","10.1021/ol049225v","","","0.69","synchrotron","","0.0835","0.0567","","","0.1319","0.146","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507077","9.058","0.0018","9.751","0.002","10.809","0.002","76.41","0.03","86.49","0.03","80.15","0.03","914.1","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S2 -","- C18 H17 N O5 S2 -","- C36 H34 N2 O10 S4 -","2","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0554","0.0477","","","0.145","0.1496","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507078","11.785","0.002","6.113","0.0012","25.017","0.005","90","","101.95","0.03","90","","1763.2","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N3 O3 S -","- C18 H15 N3 O3 S0.957 -","- C72 H60 N12 O12 S3.828 -","4","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0681","0.0546","","","0.1574","0.1638","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507079","12.8996","0.0003","12.9357","0.0001","22.1831","0.0003","105.044","0.001","92.7318","0.0017","117.366","0.0013","3113.94","0.1","173","","173","","","","","","","","crystallized from diethyl ether/pentane","8","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-tert-butyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","- C62 H52 B F24 Ir N O2 P -","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0429","","","","0.0462","","","","","","1.0325","","","","has coordinates","189985","2020-10-21","18:00:00",""
"1507080","12.7425","0.0001","12.992","0.0001","23.0228","0.0002","87.9035","0.0005","74.6505","0.0005","61.9161","0.0005","3225.32","0.05","173","","173","","","","","","","","crystallized from dichloromethane/pentane","9","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-isopropyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","- C61.5 H50.5 B Cl1.5 F24 Ir N O2 P -","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0312","","","","0.0355","","","","","","1.0578","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507081","21.1948","0.0005","13.666","0.0002","22.8714","0.0004","90","","108.989","0.0017","90","","6264.2","0.2","193","","193","","","","","","","","crystallised from diethyl ether/pentane","8","P 1 21 1","P 2yb","4","","(-)-[(eta4-1,5-cyclooctadiene)-{(4S)-2-[(2-(diphenylphosphino)- phenyl]-4,5-dihydro-4-isopropyl-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C64 H48 B F24 Ir N O P -","- C64 H48 B F24 Ir N O P -","- C256 H192 B4 F96 Ir4 N4 O4 P4 -","4","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0594","","","","0.0678","","","","","","1.0441","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507082","9.718","0.003","25.585","0.008","11.268","0.004","90","","113.919","0.007","90","","2561","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H74 N2 O7 -","- C57 H74 N2 O7 -","- C114 H148 N4 O14 -","2","1","","Cheng, Xu; Hou, Guo-Hua; Xie, Jian-Hua; Zhou, Qi-Lin","Synthesis and optical resolution of 9,9'-spirobifluorene-1,1'-diol.","Organic letters","2004","6","14","2381","2383","10.1021/ol0492546","","","0.71073","MoKα","","0.2024","0.0687","","","0.0785","0.1083","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507083","10.9347","0.0014","5.099","0.003","13.547","0.002","90","","109.07","0.012","90","","713.9","0.4","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.123","0.0496","","","0.0987","0.1292","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507084","5.7296","0.0012","11.8879","0.0019","5.0674","0.0008","100.472","0.013","92.263","0.016","83.228","0.015","336.98","0.1","293","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C17 H16 N2 O -","1","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.0338","0.0312","","","0.0829","0.0887","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507085","9.0453","0.0007","9.5125","0.0008","35.549","0.003","90","","90","","90","","3058.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C31.8 H31 Br N2 O7 -","- C127.2 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1458","0.0629","","","0.1517","0.1777","","","","","","0.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507086","8.9635","0.0009","10.2834","0.0011","32.786","0.004","90","","90","","90","","3022.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C32 H31 Br N2 O7 -","- C128 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1077","0.0469","","","0.0813","0.0928","","","","","","0.797","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507087","9.9862","0.0014","15.134","0.003","17.31","0.004","102.56","0.03","94.34","0.02","107.62","0.02","2405.4","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H62 I2 O5 -","- C53 H62 I2 O5 -","- C106 H124 I4 O10 -","2","1","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.0848","0.0651","","","0.1958","0.2089","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507088","8.541","0.001","21.607","0.005","34.169","0.008","90","","95.17","0.02","90","","6280","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 N2 O5 S2 -","- C75 H78 N2 O5 S2 -","- C300 H312 N8 O20 S8 -","4","0.5","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.1212","0.0564","","","0.1321","0.1576","","","","","","0.933","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507089","5.8532","0.0004","14.5436","0.001","19.3274","0.0014","90","","90","","90","","1645.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-methanol","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Therkelsen, Frans D.; Rottländer, Mario; Thorup, Niels; Pedersen, Erik Bjerregaard","4-metalated condensed pyrimidines: their preparation and reaction with aldehydes under Barbier-type conditions.","Organic letters","2004","6","12","1991","1994","10.1021/ol049432v","","","0.71073","MoKα","","0.0387","0.0367","","","0.0973","0.0985","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507090","13.224","0.001","10.135","0.001","18.076","0.001","90","","108.44","0.01","90","","2298.3","0.3","93.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","2","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0607","","","","0.0606","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507091","7.407","0.001","7.833","0.001","30.59","0.002","90","","90","","90","","1774.8","0.3","133.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0419","","","","0.1155","","","","","","1.337","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507092","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Takenaka, Kazuhiro; Uozumi, Yasuhiro","Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition.","Organic letters","2004","6","11","1833","1835","10.1021/ol0494515","","","0.7107","MoKα","","","0.023","","","","0.06","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507093","7.202","0.004","19.885","0.01","17.54","0.009","90","","93.671","0.01","90","","2507","2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glyco-amino-acid","","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C98 H124 N4 O28 -","2","1","","Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S.","Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars.","Organic letters","2004","6","11","1777","1779","10.1021/ol049467v","","","0.71073","MoKα","","0.0873","0.0523","","","0.1089","0.1273","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507094","11.188","0.002","25.291","0.002","29.152","0.005","90","","90","","90","","8249","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H124 N2 O36 -","- C70.988 H124 N2 O35.994 -","- C283.952 H496 N8 O143.976 -","4","1","","Mieusset, Jean-Luc; Krois, Daniel; Pacar, Mirjana; Brecker, Lothar; Giester, Gerald; Brinker, Udo H.","Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.","Organic letters","2004","6","12","1967","1970","10.1021/ol049478o","","","0.71073","MoKα","","0.0689","0.0517","","","0.1241","0.1366","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507095","10.646","0.004","18.82","0.01","40.113","0.015","90","","90","","90","","8037","6","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H53 N3 O4 S -","- C42 H53 N3 O4 S -","- C336 H424 N24 O32 S8 -","8","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1238","0.0873","","","0.1992","0.2206","","","","","","1.093","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507096","25.021","0.004","9.4409","0.0016","17.902","0.003","90","","99.367","0.003","90","","4172.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 O4 S2 -","- C44 H56 N4 O4 S2 -","- C176 H224 N16 O16 S8 -","4","0.5","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1279","0.0983","","","0.2502","0.2745","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507097","19.464","0.004","24.295","0.005","17.955","0.003","90","","94.981","0.004","90","","8458","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H113 N7 O10 S3 -","- C87.5 H108.5 N7 O9 S3 -","- C350 H434 N28 O36 S12 -","4","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1539","0.0949","","","0.2497","0.2836","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507098","11.785","0.004","12.738","0.004","14.103","0.004","90","","110.099","0.004","90","","1988.2","1.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0779","0.0498","","","0.1254","0.1408","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507099","10.895","0.003","10.97","0.003","12.255","0.003","93.396","0.005","96.415","0.004","113.477","0.004","1326.4","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N7 O3 -","- C29 H31 N7 O3 -","- C58 H62 N14 O6 -","2","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0874","0.0385","","","0.0806","0.0926","","","","","","0.882","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507100","9.6537","0.0019","10.664","0.002","15.994","0.003","94.77","0.03","97.1","0.03","90.01","0.03","1628.2","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2082","0.1287","","","0.3349","0.3785","","","","","","1.229","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507101","12.081","0.002","8.9358","0.0018","11.019","0.002","90","","113.24","0.03","90","","1093","0.4","293","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.1316","0.0525","","","0.1076","0.1325","","","","","","0.974","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507102","22.1999","0.0019","5.9517","0.0006","16.3776","0.0019","90","","93.251","0.005","90","","2160.4","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C96 H160 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0863","0.0641","","","0.1539","0.1683","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507103","10.8507","0.0002","14.8374","0.0003","14.967","0.0003","90","","91.428","0.001","90","","2408.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C96 H192 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0584","0.0459","","","0.1068","0.1135","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507104","7.6129","0.0005","18.6167","0.0015","21.6505","0.0016","90","","93.835","0.004","90","","3061.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2361","0.1343","","","0.3323","0.3783","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507105","9.561","0.0003","10.435","0.0003","21.045","0.0008","90","","95.727","0.0013","90","","2089.16","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 O4 Si2 -","- C48 H58 O4 Si2 -","- C96 H116 O8 Si4 -","2","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0957","0.0544","","","0.1237","0.1402","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507106","9.555","0.0002","9.909","0.0003","11.76","0.0004","73.458","0.0012","83.933","0.0012","73.332","0.0012","1022.16","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0621","0.0422","","","0.1115","0.121","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507107","7.617","0.001","7.765","0.001","17.539","0.001","93.79","0.01","101.85","0.01","93.84","0.01","1009.6","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.126","0.0605","","","0.127","0.155","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507108","7.9233","0.0006","12.9262","0.0009","18.1699","0.0013","99.297","0.001","92.86","0.001","98.46","0.001","1811.3","0.2","130","0.2","130","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 B F20 Si -","- C38 H23 B F20 Si -","- C76 H46 B2 F40 Si2 -","2","1","","Hassall, Kathryn S.; White, Jonathan M.","Solution and X-ray structure of triethylsilylmethyl-substituted tropylium cation.","Organic letters","2004","6","11","1737","1739","10.1021/ol049613x","","","0.71073","MoKα","","0.0634","0.0443","","","0.0896","0.0963","","","","","","0.931","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507109","5.3875","0.0013","10.514","0.003","13.349","0.003","78.065","0.004","83.763","0.005","79.02","0.004","724.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Li, Gong-Yong; Che, Chi-Ming","Highly selective intra- and intermolecular coupling reactions of diazo compounds to form cis-alkenes using a ruthenium porphyrin catalyst.","Organic letters","2004","6","10","1621","1623","10.1021/ol049626a","","","0.71073","MoKα","","0.1612","0.0655","","","0.1465","0.1795","","","","","","0.802","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507110","10.6401","0.0015","15.19","0.002","11.1047","0.0015","90","","112.679","0.002","90","","1656","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 F2 N O5.5 -","- C15 H26 F2 N O5.5 -","- C60 H104 F8 N4 O22 -","4","2","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0324","0.0307","","","0.0684","0.0695","","","","","","1.002","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507111","6.9296","0.001","10.4369","0.0014","12.3706","0.0017","104.018","0.002","103.538","0.002","96.314","0.002","830.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26 F2 N2 O5 -","- C15 H26 F2 N2 O5 -","- C30 H52 F4 N4 O10 -","2","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0499","0.0417","","","0.102","0.1066","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507112","8.9703","0.0007","11.8127","0.001","10.8941","0.0009","90","","111.22","0.001","90","","1076.11","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F2 O4 -","- C10 H16 F2 O4 -","- C40 H64 F8 O16 -","4","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0357","0.0327","","","0.0832","0.0853","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507113","11.2061","0.0002","11.3867","0.0002","18.0052","0.0003","72.655","0.001","79.218","0.001","84.164","0.001","2151.7","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F2 N2 O2 -","- C15 H16 F2 N2 O2 -","- C90 H96 F12 N12 O12 -","6","3","","Fustero, Santos; Piera, Julio; Sanz-Cervera, Juan F; Catalán, Silvia; Ramírez de Arellano, Carmen","A versatile synthesis of fluorinated uracils in solution and on solid-phase.","Organic letters","2004","6","9","1417","1420","10.1021/ol049668z","","","0.71073","MoKα","","0.1062","0.063","","","0.1825","0.2055","","","","","","1.095","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507114","5.9234","0.001","10.559","0.0018","11.2497","0.0019","67.095","0.003","85.57","0.003","79.756","0.003","637.78","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tetrabromobutatriene","","","- C28 H16 Br4 N4 -","- C14 H8 Br2 N2 -","- C28 H16 Br4 N4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.0634","0.0558","","","0.133","0.1378","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507115","8.6234","0.001","12.866","0.0015","13.3868","0.0016","71.469","0.002","74.489","0.002","71.885","0.002","1314.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Br4 N2 O2 -","- C27 H20 Br4 N2 O2 -","- C54 H40 Br8 N4 O4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.1098","0.0969","","","0.2294","0.2455","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507116","6.1556","0.0006","10.6385","0.0011","12.5323","0.0013","96.315","0.002","98.777","0.002","99.736","0.002","791.6","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N4 O -","- C44 H30 N4 O -","- C44 H30 N4 O -","1","0.5","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.0989","0.0676","","","0.1869","0.2015","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507117","6.6176","0.0017","24.138","0.006","22.081","0.006","90","","97.14","0.007","90","","3499.8","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H34 N4 O2 -","- C47.5 H34 N4 O2 -","- C190 H136 N16 O8 -","4","1","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.3068","0.0582","","","0.0695","0.0925","","","","","","0.517","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507118","22.939","0.003","7.421","0.0008","23.556","0.003","90","","116.912","0.002","90","","3575.7","0.8","130","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O5 -","- C19 H19 O6 -","- C152 H152 O48 -","8","1","","Hilli, Ferdows; White, Jonathan M.; Rizzacasa, Mark A.","Formal total synthesis of (-)-apicularen A via transannular conjugate addition.","Organic letters","2004","6","8","1289","1292","10.1021/ol0497943","","","","MoKα","","0.1759","0.1061","","","0.3016","0.346","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507119","14.8745","0.0004","6.4555","0.0002","15.485","0.0006","90","","104.52","0.0011","90","","1439.42","0.08","180","","180","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O4 -","- C13 H26 O4 -","- C52 H104 O16 -","4","2","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A","Highly stereoselective intermolecular oxy-michael addition reaction to alpha,beta-unsaturated malonate esters.","Organic letters","2004","6","9","1357","1360","10.1021/ol049820x","","","0.71073","MoKα","","0.0725","0.0431","","0.0445","0.043","0.043","","","","","","1.1157","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507120","9.21","0.002","14.639","0.003","17.498","0.004","90","","90","","90","","2359.2","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Stierle, Donald B.; Stierle, Andrea A.; Hobbs, J. David; Stokken, Janalee; Clardy, Jon","Berkeleydione and berkeleytrione, new bioactive metabolites from an acid mine organism.","Organic letters","2004","6","6","1049","1052","10.1021/ol049852k","","","0.71073","MoKα","","0.0565","0.0449","","","0.1055","0.1121","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507121","7.0752","0.0006","11.9826","0.0012","9.9718","0.0008","90","","93.814","0.01","90","","843.53","0.13","173","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0418","0.0378","","","0.1023","0.1053","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507122","8.732","0.0005","13.9621","0.0013","21.7439","0.0014","90","","90","","90","","2651","0.3","173","","173","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N5 O7 -","- C23 H35 N5 O7 -","- C92 H140 N20 O28 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0794","0.0743","","","0.1988","0.2022","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507123","7.8615","0.0009","6.9727","0.0005","8.5838","0.0009","90","","91.877","0.013","90","","470.28","0.08","293","","173","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0393","0.0347","","","0.0825","0.0846","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507124","11.3701","0.0012","12.0463","0.0013","14.099","0.0016","69.719","0.012","70.868","0.013","63.879","0.012","1590.8","0.4","173","","173","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C60 H78 N6 O24 -","6","3","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.1439","0.0663","","","0.1454","0.1734","","","","","","0.818","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507125","11.9505","0.0008","9.4792","0.0008","15.5098","0.001","90","","102.832","0.008","90","","1713.1","0.2","293","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C60 H96 N8 O20 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0449","0.0367","","","0.097","0.101","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507126","10.5733","0.001","8.6107","0.0008","17.3519","0.0016","90","","107.435","0.002","90","","1507.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Ho0 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.","Organic letters","2004","6","6","1041","1044","10.1021/ol049873e","","","","MoKα","","0.0592","0.0478","","","0.104","0.1087","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507127","8.7539","0.0013","14.491","0.002","13.0722","0.0019","90","","95.806","0.003","90","","1649.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Ng, Danny; Yang, Zhe; Garcia-Garibay, Miguel A","Total synthesis of (+/-)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone.","Organic letters","2004","6","4","645","647","10.1021/ol0499250","","","0.71073","MoKα","","0.0481","0.0352","","","0.0907","0.0975","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507128","10.926","0.002","13.142","0.003","19.484","0.004","89.77","0.03","87.76","0.03","72.31","0.03","2663.3","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H61 Cl F3 N5 O9 S -","- C49 H61 Cl F3 N5 O9 S -","- C98 H122 Cl2 F6 N10 O18 S2 -","2","1","","Oliva, Ana I.; Simón, Luis; Muñiz, Francisco M; Sanz, Francisca; Morán, Joaquín R","Aminopyridine-benzoxanthene enantioselective receptor for sulfonylamino acids.","Organic letters","2004","6","7","1155","1157","10.1021/ol049933g","","","1.5418","CuKα","","0.2371","0.1399","","0.3148","0.2315","","","","1.24","1.281","1.281","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507129","14.771","0.0008","6.763","0.0004","18.517","0.002","90","","97.923","0.002","90","","1832.1","0.2","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C38 H32 Br3 N O7 -","- C38 H32 Br3 N O7 -","- C76 H64 Br6 N2 O14 -","2","1","","Fujita, Tomoya; Nagasawa, Hideko; Uto, Yoshihiro; Hashimoto, Toshihiro; Asakawa, Yoshinori; Hori, Hitoshi","Synthesis of the new mannosidase inhibitors, diversity-oriented 5-substituted swainsonine analogues, via stereoselective Mannich reaction.","Organic letters","2004","6","5","827","830","10.1021/ol049947m","","","0.71073","MoKα","","0.0896","0.058","","","0.1577","0.1826","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507130","11.595","0.001","16.922","0.002","19.919","0.003","90","","106.12","0.01","90","","3754.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 B2 Cu F8 N7 O2 -","- C39 H38 B2 Cu F8 N7 O2 -","- C156 H152 B8 Cu4 F32 N28 O8 -","4","1","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0667","0.0515","","0.1367","0.1252","","","","1.026","1.045","1.045","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507131","9.2514","0.0001","7.3897","0.0001","17.753","0.0003","90","","100.55","0.0005","90","","1193.17","0.03","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C60 H52 N12 -","2","0.5","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0613","0.046","","0.1297","0.1193","","","","1.031","1.076","1.076","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507132","10.337","0.004","10.796","0.004","26.783","0.01","90.044","0.008","98.388","0.009","111.731","0.007","2741.9","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H50 O2 -","- C84 H50 O2 -","- C168 H100 O4 -","2","1","","Harrington, Laura E.; Britten, James F.; McGlinchey, Michael J.","Dimerization of 9-phenylethynylfluorene to di-indeno-naphthacene and dispiro-[fluorene-dihydronaphthacene-fluorene]: an X-ray crystallographic and NMR study.","Organic letters","2004","6","5","787","790","10.1021/ol049967o","","","0.71073","MoKα","","0.2649","0.0794","","","0.091","0.1336","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1508976","13.9491","","13.9491","","13.9491","","90","","90","","90","","2714.18","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver europium tetrathiogermanate (0.5/1.75/1)","","- Ag0.5 Eu1.75 Ge S4 -","- Ag0.5025 Eu1.755 Ge S4 -","- Ag8.04 Eu28.08 Ge16 S64 -","16","0.333333","","Kanatzidis, M.G.; Iyer, R.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508980","14.0291","","14.0291","","14.0291","","90","","90","","90","","2761.15","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver lead tetrathiogermanate (0.5/1.75/1)","","- Ag0.5 Ge Pb1.75 S4 -","- Ag0.5025 Ge Pb1.755 S4 -","- Ag8.04 Ge16 Pb28.08 S64 -","16","0.333333","","Iyer, R.G.; Aitken, J.A.; Kanatzidis, M.G.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508981","14.5949","","14.5949","","14.5949","","90","","90","","90","","3108.88","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver lead tetraselenogermanate (0.5/1.75/1)","","- Ag0.5 Ge Pb1.75 Se4 -","- Ag0.5025 Ge Pb1.755 Se4 -","- Ag8.04 Ge16 Pb28.08 Se64 -","16","0.333333","","Kanatzidis, M.G.; Iyer, R.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509047","2.9658","","2.9658","","4.7842","","90","","90","","120","","36.444","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver tin (0.8/0.2)","","- Ag0.8 Sn0.2 -","- Ag0.8 Sn0.2 -","- Ag1.6 Sn0.4 -","2","0.0833333","","King, H.W.; Massalski, T.B.","Lattice spacing relationships and the electronic structure of h.c.p. zeta-phases based on silver","Philosophical Magazine, Serie 8(1956-)","1961","6","","669","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509072","6.344","","6.344","","6.344","","90","","90","","90","","255.323","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Lithium aluminium silver (0.22/1.04/1.75)","","- Ag0.22 Al1.04 Li1.75 -","- Ag0.218 Al1.04 Li1.743 -","- Ag0.872 Al4.16 Li6.972 -","4","0.0416667","","Belin, C.; Lacroix-Orio, L.; Tillard, M.","Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2","Solid State Sciences","2004","6","","1429","1437","10.1016/j.solidstatesciences.2004.07.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509117","7.14","","7.14","","7.14","","90","","90","","90","","363.994","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lithium silver sulfate(VI) (1.6/0.4/1) - HT","","- Ag0.4 Li1.6 O4 S -","- Ag0.4 Li1.6 O3.99998 S -","- Ag1.6 Li6.4 O15.9999 S4 -","4","0.0208333","","Andersen, N.H.; Nilsson, L.; Kjems, J.K.","The structure of the solid electrolyte Li1.6Ag0.4SO4 at 565 C","Solid State Ionics","1982","6","","209","214","10.1016/0167-2738(82)90041-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509122","2.9867","","2.9867","","4.8253","","90","","90","","120","","37.277","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver cadmium (0.49/9.51) - HT","","- Ag0.495 Cd0.505 -","- Ag0.495 Cd0.505 -","- Ag0.99 Cd1.01 -","2","0.0833333","","Massalski, T.B.; King, H.W.","Lattice spacing relationships and the electronic structure of hcp zeta-phases based on silver","Philosophical Magazine, Serie 8(1956-)","1961","6","","669","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509176","6.31","","6.31","","6.31","","90","","90","","90","","251.24","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag Cd Sb -","- Ag Cd Sb -","- Ag4 Cd4 Sb4 -","4","0.0416667","","Kotsyumakha, M.P.; Belotskii, D.P.; Makhova, M.K.; Galichanskii, V.G.","The systems Cd Sb - Cu (Ag, Au) and Cd Sb - Ge (Sn, Pb)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1593","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509208","6.2963","","6.2963","","6.2963","","90","","90","","90","","249.607","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Au Zn2 -","- Ag Au Zn2 -","- Ag4 Au4 Zn8 -","4","0.0208333","","Liu Yihuan; Hsu Chen-Chia","An investigation of Ag-Au-Zn alloys with 50 at.% Zn","Scientia Sinica","1957","6","","1013","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509569","3.468","","3.468","","6.603","","90","","90","","90","","79.414","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ag Zr -","- Ag Zr -","- Ag2 Zr2 -","2","0.125","","Karlsson, N.","An X-ray study of the phases in the silver-zirconium system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1952","6","","1424","1430","10.3891/acta.chem.scand.06-1424","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509580","2.9896","","2.9896","","4.8413","","90","","90","","120","","37.473","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ag11 Hg9)0.1","","- Ag1.1 Hg0.9 -","- Ag1.11 Hg0.89 -","- Ag1.11 Hg0.89 -","1","0.0416667","","King, H.W.; Massalski, T.B.","Lattice spacing relationships and the electronic structure of hcp zeta phases based on silver","Philosophical Magazine, Serie 6 (1901-1925)","1961","6","","669","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509611","2.9616","","2.9616","","4.799","","90","","90","","120","","36.453","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ag17 Sb3)0.1","","- Ag1.7 Sb0.3 -","- Ag1.7 Sb0.3 -","- Ag1.7 Sb0.3 -","1","0.0416667","","King, H.W.; Massalski, T.B.","Lattice spacing relationships and the electronic structure of H.C.P. zeta phase based on silver","Philosophical Magazine, Serie 6 (1901-1925)","1961","6","","669","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509966","24.09","","6.34","","24.581","","90","","110.87","","90","","3507.96","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ag7 (P3 S11)","","- Ag7 P3 S11 -","- Ag7 P3 S11 -","- Ag56 P24 S88 -","8","1","","Brinkmann, C.; Schmedt auf der Guenne, J.; Wilmer, D.; Pfitzner, A.; Vogel, M.; Rau, F.; Hoffbauer, W.; Eckert, H.","Re-entrant phase transition of the crystalline ion conductor Ag7 P3 S11","Solid State Sciences","2004","6","","1077","1088","10.1016/j.solidstatesciences.2004.04.020","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509977","6.3155","","6.3155","","6.3155","","90","","90","","90","","251.897","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Li4 Al4 Ag8","","- Ag8 Al4 Li4 -","- Ag8 Al4 Li4 -","- Ag8 Al4 Li4 -","1","0.0104167","","Tillard, M.; Lacroix-Orio, L.; Belin, C.","Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2","Solid State Sciences","2004","6","","1429","1437","10.1016/j.solidstatesciences.2004.07.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510159","7.563","","7.563","","4.1271","","90","","90","","120","","204.439","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Gd Au Mg","","- Au Gd Mg -","- Au Gd Mg -","- Au3 Gd3 Mg3 -","3","0.25","","Poettgen, R.; Kmiec, R.; Fickenscher, T.; Hoffmann, R.D.; Latka, K.; Pacyna, A.W.","Magnetism and 155Gd Moessbauer spectroscopy of Gd Au Mg","Solid State Sciences","2004","6","","301","309","10.1016/j.solidstatesciences.2004.01.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510549","7.747","","7.747","","7.747","","90","","90","","90","","464.944","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Au5 Ca -","- Au5 Ca -","- Au20 Ca4 -","4","0.0416667","","Hamilton, D.C.; Raub, C.J.","A new Au Be5-type phase - Ca Au5","Journal of the Less-Common Metals","1964","6","","486","488","10.1016/0022-5088(64)90094-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510612","6.77","","12.22","","7.38","","90","","90","","90","","610.543","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Au Se Br","","- Au Br Se -","- Au Br Se -","- Au8 Br8 Se8 -","8","1","","Rosenstein, G.; Wunderlich, H.; Mootz, D.; Rabenau, A.","The crystal structure of Au Se Br","Journal of Solid State Chemistry","1973","6","","583","586","10.1016/S0022-4596(73)80019-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510854","3.29","","3.29","","3.835","","90","","90","","120","","35.949","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Y B2","","- B2 Y -","- B2 Y -","- B2 Y -","1","0.0416667","","Grishina, L.P.; Telyukova, T.M.; Manelis, R.M.","Structure and properties of yttrium diboride","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1035","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510869","5.874","","10.403","","8.359","","90","","90.17","","90","","510.793","","","","","","","","","","","","","2","I 1 m 1","I -2y","8","","Na2 B29","","- B29 Na2 -","- B29 Na2 -","- B58 Na4 -","2","0.5","","Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M.","""Na B15"": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy","Chemistry - A European Journal","2000","6","","2531","2536","10.1002/1521-3765(20000717)6:14<2531::AID-CHEM2531>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511182","4.126","","4.126","","4.126","","90","","90","","90","","70.241","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ho Pd3 B","","- B Ho Pd3 -","- B Ho Pd3 -","- B Ho Pd3 -","1","0.0208333","","Vijayaraghavan, R.; Malik, S.K.; Dhar, S.K.","Structural and magnetic investigations of some new boron containing rare earth intermetallic compounds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511207","4.229","","4.229","","4.229","","90","","90","","90","","75.633","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La Pd3 B","","- B La Pd3 -","- B La Pd3 -","- B La Pd3 -","1","0.0208333","","Malik, S.K.; Vijayaraghavan, R.; Dhar, S.K.","Structural and magnetic investigations on some new boron containing rare earth intermetallic compopunds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511296","4.194","","4.194","","4.194","","90","","90","","90","","73.771","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pd3 Pr B","","- B Pd3 Pr -","- B Pd3 Pr -","- B Pd3 Pr -","1","0.0208333","","Dhar, S.K.; Malik, S.K.; Vijayaraghavan, R.","Structural and magnetic investigations of some new boron containing rare earth intermetallic compounds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511297","4.156","","4.156","","4.156","","90","","90","","90","","71.784","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pd3 Sm B","","- B Pd3 Sm -","- B Pd3 Sm -","- B Pd3 Sm -","1","0.0208333","","Malik, S.K.; Dhar, S.K.; Vijayaraghavan, R.","Structural and magnetic investigations of some new boron containing rare earth intermetallic compounds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511299","4.138","","4.138","","4.138","","90","","90","","90","","70.855","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pd3 Tb B","","- B Pd3 Tb -","- B Pd3 Tb -","- B Pd3 Tb -","1","0.0208333","","Dhar, S.K.; Malik, S.K.; Vijayaraghavan, R.","Structural and magnetic investigations of some new boron containing rare earth intermetallic compounds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511390","5.2033","","5.2033","","6.3498","","90","","90","","120","","148.884","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mo3.46 B12","","- B12 Mo3.46 -","- B12 Mo3.46 -","- B12 Mo3.46 -","1","0.0416667","","Lundstroem, T.; Rosenberg, I.","The crystal structure of the molybdenum boride Mo1-x B3","Journal of Solid State Chemistry","1973","6","","299","305","10.1016/0022-4596(73)90194-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511529","11.397","","11.255","","6.293","","90","","90","","90","","807.223","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Ca2 (B5 O9 Br)","","- B5 Br Ca2 O9 -","- B5 Br Ca2 O9 -","- B20 Br4 Ca8 O36 -","4","1","","Fouassier, C.; Lloyd, D.J.; Levasseur, A.","Structure cristalline du bromoborate Ca2 B5 O9 Br","Journal of Solid State Chemistry","1973","6","","179","186","10.1016/0022-4596(73)90179-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513308","9.86","0.002","15.874","0.003","20.79","0.004","81.5","0.03","81.42","0.03","76.87","0.03","3111.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H41 N3 O4 Si -","- C31.5 H41 N3 O4 Si -","- C126 H164 N12 O16 Si4 -","4","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative Rearrangement of Imidazoles with Dimethyldioxirane","Organic Letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0924","0.0564","","0.1881","0.1584","","","","1.135","1.247","1.247","","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513339","8.441","0.002","10.983","0.003","13.892","0.004","90.769","0.004","90.334","0.004","94.472","0.004","1283.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12263b","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","","Niu, Dawen; Hoye, Thomas R.","The aromatic ene reaction","Nature Chemistry","2013","6","1","34","","10.1038/nchem.1797","","","0.71073","MoKα","","0.1348","0.0607","","","0.1152","0.1469","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513737","22.486","0.0007","16.5586","0.0005","28.6689","0.0011","90","","90","","90","","10674.5","0.6","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H48 N8 O9 S4 Zn2 -","- C57 H48 N8 O9 S4 Zn2 -","- C456 H384 N64 O72 S32 Zn16 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1322","0.0851","","","0.224","0.2581","","","","","","1.079","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513738","7.1289","0.0009","7.1436","0.001","13.037","0.002","82.538","0.004","83.524","0.004","61.968","0.004","580.05","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0694","0.0435","","","0.0951","0.1063","","","","","","1.01","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513739","7.5968","0.0002","8.3252","0.0002","11.0399","0.0003","97.196","0.002","108.876","0.002","110.229","0.002","597.4","0.03","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C26 H22 N6 O4 S2 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0675","0.0528","","","0.1341","0.1432","","","","","","0.991","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513740","8.805","0.0008","18.3583","0.0016","9.8145","0.0008","90","","92.016","0.005","90","","1585.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0935","0.0427","","","0.0899","0.11","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513741","12.1889","0.0005","8.9564","0.0004","20.1062","0.0009","90","","90","","90","","2194.97","0.17","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.052","0.0382","","","0.0942","0.1022","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513742","12.0704","0.0006","8.6513","0.0004","14.245","0.0007","90","","107.286","0.001","90","","1420.34","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0443","0.0343","","","0.0868","0.093","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513743","12.37","0.004","12.679","0.004","13.471","0.004","62.131","0.007","86.789","0.009","84.702","0.008","1859.6","1","90","0.2","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Cu1.5 N6 O6 S3 -","- C42 H33 Cu1.5 N6 O6 S3 -","- C84 H66 Cu3 N12 O12 S6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1338","0.0902","","","0.2456","0.3037","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513744","15.7028","0.0018","25.796","0.003","24.222","0.003","90","","99.532","0.003","90","","9676","2","90","0.1","90","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Fe N7 O7 S3 -","- C43.986 H37.992 Fe N6.998 O7 S2.998 -","- C351.888 H303.936 Fe8 N55.984 O56 S23.984 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0874","0.0675","","","0.178","0.1876","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513770","23.0127","0.0011","9.31","0.0005","19.0897","0.0009","90","","126.337","0.001","90","","3294.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H17 Au F P -","- C19.5 H17 Au F P -","- C156 H136 Au8 F8 P8 -","8","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0123","0.0122","","","0.0322","0.0322","","","","","","1.213","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513771","8.8394","0.0008","16.1038","0.0014","22.1064","0.0019","90","","100.248","0.004","90","","3096.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Au2 Cl4 N P2 -","- C25 H23 Au2 Cl4 N P2 -","- C100 H92 Au8 Cl16 N4 P8 -","4","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0652","0.0426","","","0.0915","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513772","16.1721","0.0008","10.6985","0.0006","18.0543","0.001","90","","98.385","0.002","90","","3090.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Au2 F2 P2 -","- C37 H30 Au2 F2 P2 -","- C148 H120 Au8 F8 P8 -","4","0.5","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0124","0.0117","","","0.0283","0.0287","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513773","13.442","0.0003","8.1038","0.0002","20.1572","0.0005","90","","104.261","0.001","90","","2128.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl N2 O3 S -","- C22 H31 Cl N2 O3 S -","- C88 H124 Cl4 N8 O12 S4 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0315","0.0276","","","0.0715","0.0735","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513774","20.4107","0.0007","8.6349","0.0003","16.7557","0.0006","90","","90","","90","","2953.1","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C128 H216 N8 O16 -","8","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0239","","","0.0617","0.0617","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513775","9.7778","0.0006","8.0904","0.0005","18.01","0.0011","90","","94.851","0.002","90","","1419.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.1082","0.1081","","","0.2422","0.2422","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513776","7.867","0.0003","9.1892","0.0004","10.2943","0.0004","110.964","0.001","109.591","0.001","90.081","0.001","648.44","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0314","0.0313","","","0.0767","0.0768","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513777","7.238","0.004","11.592","0.006","20.28","0.011","90","","90","","90","","1701.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0486","0.0446","","","0.1039","0.1055","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513778","9.717","0.005","7.555","0.004","23.041","0.012","90","","99.168","0.008","90","","1669.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0504","0.0393","","","0.0911","0.0981","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513779","15.7732","0.0006","8.3002","0.0003","15.3015","0.0006","90","","111.867","0.002","90","","1859.15","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0765","0.0744","","","0.1857","0.1868","","","","","","1.147","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513780","12.5683","0.0004","17.2","0.0006","9.5705","0.0003","90","","91.062","0.001","90","","2068.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Br N2 O2 -","- C22 H31 Br N2 O2 -","- C88 H124 Br4 N8 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0234","","","0.0597","0.06","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513781","8.1628","0.0003","11.2261","0.0004","18.4027","0.0006","90.626","0.001","100.074","0.001","93.553","0.001","1656.76","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0345","0.0341","","","0.0842","0.0844","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513782","8.5052","0.0003","15.5856","0.0006","19.9392","0.0008","101.084","0.001","100.283","0.002","90.24","0.001","2550.12","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C120 H162 N6 O12 -","6","3","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0519","0.0502","","","0.159","0.1611","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513783","9.3311","0.0004","10.7524","0.0005","10.8992","0.0006","116.238","0.002","94.799","0.002","96.792","0.002","962.57","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N3 O5 S -","- C20 H27 N3 O5 S -","- C40 H54 N6 O10 S2 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.032","0.0303","","","0.0822","0.0834","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513784","8.6602","0.0003","11.241","0.0004","12.9622","0.0005","90","","94.253","0.001","90","","1258.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0333","0.0331","","","0.0788","0.0789","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513785","8.3047","0.0009","7.7059","0.0006","25.706","0.003","90","","98.62","0.005","90","","1626.5","0.3","93","","93","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","0.71075","MoKα","","","0.0399","","","","0.1072","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513786","8.3426","0.0004","8.7981","0.0004","27.0612","0.0012","90","","94.54","0.002","90","","1980.03","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","1.54187","CuKα","","0.1517","0.073","","","0.1833","0.2598","","","","","","0.924","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513787","11.0525","0.0017","27.518","0.004","11.4121","0.0017","90","","94.477","0.003","90","","3460.3","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C138 H138 N18 O36 S6 -","6","3","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.039","0.0377","","","0.0993","0.1009","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513788","7.704","0.002","12.588","0.003","26.614","0.007","90","","90","","90","","2581","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O6 S -","- C28 H25 N3 O6 S -","- C112 H100 N12 O24 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0463","0.0451","","","0.1223","0.1235","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513789","10.901","0.002","11.15","0.002","18.652","0.004","90","","90","","90","","2267.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S -","- C22 H23 N3 O8 S -","- C88 H92 N12 O32 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0357","0.0344","","","0.0873","0.0884","","","","","","1.118","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513790","11.1674","0.0003","10.4372","0.0003","16.4146","0.0012","90","","90","","90","","1913.23","0.16","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H16 F6 N3 P Ru -","- C17 H16 F6 N3 P Ru -","- C68 H64 F24 N12 P4 Ru4 -","4","1","","Li, Le; Herzon, Seth B.","Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.","Nature chemistry","2014","6","1","22","27","10.1038/nchem.1799","","","0.71075","MoKα","","0.0221","0.0212","","","0.0482","0.0485","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514150","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H30 Cu3 O24 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0451","0.0318","","0.0847","0.0808","0.0847","","","","","","0.9395","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514151","18.695","0.003","18.695","0.003","6.9489","0.0009","90","","90","","120","","2103.3","0.5","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34.5 H36 Cu3 O22.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.116","0.073","","0.1452","0.0797","0.0797","","","","","","1.0888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514152","18.7034","0.0003","18.7034","0.0003","6.878","0.0001","90","","90","","120","","2083.69","0.06","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33.5 H32 Cu3 O21.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.049","0.0322","","0.0823","0.0762","0.0823","","","","","","0.9536","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514153","18.6631","0.0014","18.6631","0.0014","6.9006","0.0005","90","","90","","120","","2081.5","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C35 H38 Cu3 O23 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.062","0.0407","","0.0742","0.0467","0.0467","","","","","","1.1519","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514154","18.5495","0.0013","18.5495","0.0013","6.8063","0.0005","90","","90","","120","","2028.2","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H50 Cu3 O26 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.0912","0.0673","","0.1138","0.0925","0.0925","","","","","","1.2169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514155","18.577","0.002","18.577","0.002","6.8406","0.0009","90","","90","","120","","2044.4","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33 H32 Cu3 O22 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1221","0.0678","","0.2159","0.1562","0.2159","","","","","","0.9858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514156","18.459","0.002","18.459","0.002","6.7489","0.0009","90","","90","","120","","1991.5","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C36 H40 Cu3 O23 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1441","0.0819","","0.2566","0.2222","0.2566","","","","","","1.0066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514157","18.623","0.002","18.623","0.002","6.8973","0.0007","90","","90","","120","","2071.6","0.4","298","","298","","","","0.1","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H37 Cu3 O27.5 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1365","0.063","","0.1262","0.0715","0.0715","","","","","","1.1183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514158","18.5488","0.0013","18.5488","0.0013","6.9375","0.0004","90","","90","","120","","2067.1","0.2","298","","298","","","","0.3","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C37 H32.5 Cu3 N3.5 O20 -","- C31.998 H25.002 Cu3 N0.999 O20.001 -","- C63.996 H50.004 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0835","0.0558","","0.0994","0.0654","0.0654","","","","","","0.9979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514159","18.5877","0.0005","18.5877","0.0005","6.874","0.0002","90","","90","","120","","2056.8","0.1","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H31 Cu3 N2.5 O21 -","- C31.998 H24 Cu3 N0.999 O20.001 -","- C63.996 H48 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0798","0.0574","","0.1599","0.1529","0.1599","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514160","18.626","0.003","18.626","0.003","6.8687","0.0015","90","","90","","120","","2063.7","0.7","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C33 H35 Cu3 N O21.5 -","- C30.999 H29.001 Cu3 N0.999 O20.001 -","- C61.998 H58.002 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1","0.0619","","0.1534","0.1356","0.1534","","","","","","0.9335","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514161","18.577","0.003","18.577","0.003","6.841","0.001","90","","90","","120","","2044.6","0.6","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H32 Cu3 N O22 -","- C31.998 H28.996 Cu3 N0.999 O20.001 -","- C63.996 H57.992 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0863","0.0618","","0.1497","0.1361","0.1497","","","","","","0.8787","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514162","18.542","0.0012","18.542","0.0012","6.8114","0.0005","90","","90","","120","","2028.1","0.2","300","","300","","","","0.7","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H40 Cu3 O25 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.184","0.0939","","0.1799","0.1018","0.1018","","","","","","1.0948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514163","18.2591","0.0016","18.2591","0.0016","6.6274","0.0006","90","","90","","120","","1913.5","0.3","300","","300","","","","0.2","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C42 H48 Cu3 O27 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1949","0.1102","","0.2535","0.1332","0.1332","","","","","","1.1122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514164","17.991","0.003","17.991","0.003","6.5371","0.0011","90","","90","","120","","1832.4","0.5","300","","300","","","","3","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34 H32 Cu3 O23 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1868","0.1204","","0.2319","0.1342","0.1342","","","","","","1.1803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514165","26.315","0.003","26.315","0.003","26.315","0.003","90","","90","","90","","18223","4","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H26 Cu3 O22 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0397","0.0354","","0.0896","0.0879","0.0896","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514166","26.37","0.003","26.37","0.003","26.37","0.003","90","","90","","90","","18337","4","298","","298","","","","0.2","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H38 Cu3 O28 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0764","0.051","","0.0869","0.0556","0.0556","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514329","8.117","0.003","20.123","0.008","20.541","0.008","90","","90","","90","","3355","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl2 O Pd S2 -","- C15 H16 Cl2 O Pd S2 -","- C120 H128 Cl16 O8 Pd8 S16 -","8","1","","Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar","Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.","Nanoscale","2014","6","9","4588","4597","10.1039/c3nr06586c","","","0.71073","MoKα","","0.0547","0.0426","","","0.1124","0.1191","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514339","23.38","0.003","6.969","0.0007","19.937","0.003","90","","110.851","0.015","90","","3035.7","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2.11 H2.39 N0.42 O0.7 -","- C2.10526 H2.38596 N0.421053 O0.701754 -","- C120 H136 N24 O40 -","57","14.25","","Subhasri, Annamalai; Anbuselvan, Chinnadurai","Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+","Analytical Methods","2014","6","15","5596","","10.1039/C4AY00653D","","","0.71073","MoKα","","0.0538","0.0387","","","0.0803","0.0906","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514751","12.9199","0.0009","15.8918","0.0008","20.2181","0.0011","90","","95.307","0.002","90","","4133.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 F12 N7 O0 P2 -","- C39 H41 F12 N7 P2 -","- C156 H164 F48 N28 P8 -","4","1","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.1126","0.0727","","","0.1815","0.2048","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514753","17.9559","0.0007","18.8882","0.0007","17.9394","0.0007","90","","90","","90","","6084.2","0.4","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H34 Ag F6 N5 P -","- C30 H34 Ag F6 N5 P -","- C240 H272 Ag8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0504","0.0474","","","0.1359","0.1423","","","","","","1.132","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514758","18.7883","0.001","17.8671","0.0008","18.1775","0.0007","90","","90","","90","","6102","0.5","150","2","150","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C30 H35 Au F6 N5 O0 P -","- C30 H35 Au F6 N5 P -","- C240 H280 Au8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0616","0.0547","","","0.1377","0.1432","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514760","8.66","0.0005","19.8775","0.001","11.7276","0.0005","90","","130.999","0.003","90","","1523.62","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 F12 N4 P2 -","- C28 H34 F12 N4 P2 -","- C56 H68 F24 N8 P4 -","2","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0683","0.0535","","","0.1428","0.1537","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514855","21.2598","0.0004","21.2598","0.0004","21.2598","0.0004","90","","90","","90","","9609","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Co2 K7 O49 W11 -","- Co1.96 K7.03 O49 W11.04 -","- Co15.68 K56.24 O392 W88.32 -","8","0.0416667","","Song, Fangyuan; Ding, Yong; Ma, Baochun; Wang, Changming; Wang, Qiang; Du, Xiaoqiang; Fu, Shao; Song, Jie","K7[CoIIICoII(H2O)W11O39]: a molecular mixed-valence Keggin polyoxometalate catalyst of high stability and efficiency for visible light-driven water oxidation","Energy & Environmental Science","2013","6","4","1170","","10.1039/c3ee24433d","","","0.71073","MoKα","","0.033","0.0284","","","0.0975","0.1008","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515904","8.9629","0.001","9.0475","0.0011","10.4647","0.0012","111.391","0.002","90.22","0.002","91.569","0.002","789.76","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3a in manuscript","4-(2-pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole","","- C20 H13 N3 O S -","- C20 H13 N3 O S -","- C40 H26 N6 O2 S2 -","2","1","","Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton","On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores.","Molecular bioSystems","2010","6","6","967","975","10.1039/b919155k","","","0.71073","MoKα","","0.0511","0.0418","","","0.1062","0.1121","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515905","7.491","0.0001","16.4275","0.0003","21.0326","0.0003","107.378","0.001","96.119","0.001","97.804","0.001","2417.4","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3b in manuscript","4-(3-pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole","","- C20 H13 N3 O S -","- C20 H13 N3 O S -","- C120 H78 N18 O6 S6 -","6","3","","Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton","On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores.","Molecular bioSystems","2010","6","6","967","975","10.1039/b919155k","","","0.71073","MoKα","","0.0974","0.0506","","","0.1201","0.144","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515930","18.241","0.003","18.241","0.003","35.422","0.007","90","","90","","90","","11786","4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H136 Br4 Cu4 N24 O23 -","- C96 H124 Br4 Cu4 N24 O23 -","- C384 H496 Br16 Cu16 N96 O92 -","4","0.25","","Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.","Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli","Soft Matter","2010","6","15","3541","","10.1039/c0sm00313a","","","0.71073","MoKα","","0.1354","0.0971","","","0.2266","0.2489","","","","","","1.128","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515931","8.215","0.0004","8.5279","0.0004","42.049","0.002","90","","92.813","0.001","90","","2942.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuBr2 1-1","","","- C48.8 H73.6 Br4 Cu2 N12 O12 -","- C48.8 H71.2 Br4 Cu2 N12 O12 -","- C97.6 H142.4 Br8 Cu4 N24 O24 -","2","0.5","","Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.","Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli","Soft Matter","2010","6","15","3541","","10.1039/c0sm00313a","","","0.71073","MoKα","","0.0714","0.0611","","","0.1262","0.1291","","","","","","1.322","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515932","10.1039","0.0003","7.5996","0.0002","19.6507","0.0005","90","","101.655","0.0019","90","","1477.78","0.07","293","","293","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O4 S -","- C30 H51 N O4 S -","- C60 H102 N2 O8 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.9524","","","","","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515933","9.9056","0.0003","7.6387","0.0003","19.5268","0.0006","90","","104.788","0.002","90","","1428.57","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O4 S -","- C30 H51 N O4 S -","- C60 H102 N2 O8 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.077","0.0568","","","0.104","0.1134","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515934","10.1765","0.0004","7.5262","0.0003","19.5268","0.0008","90","","102.747","0.002","90","","1458.71","0.1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O5 S -","- C30 H51 N O5 S -","- C60 H102 N2 O10 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.1282","0.0719","","","0.109","0.1297","","","","","","1.068","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515935","10.2484","0.0003","7.5897","0.0002","19.3681","0.0005","90","","105.323","0.002","90","","1452.94","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H51 N O6 S -","- C30 H51 N O6 S -","- C60 H102 N2 O12 S2 -","2","1","","Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina","Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition","Soft Matter","2010","6","16","3789","","10.1039/b925795k","","","0.71073","MoKα","","0.0763","0.0553","","","0.1025","0.1117","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515936","18.473","0.002","14.611","0.002","8.4322","0.0012","90","","103.972","0.004","90","","2208.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","0.5","","Xu, Yun-Xiang; Wang, Gui-Tao; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Controllable self-assemblies of micro/nano-tubes and vesicles from arylamides and their applications as templates to fabricate Pt micro/nano-tubes and hollow Pt nanospheres","Soft Matter","2010","6","6","1246","","10.1039/b917576h","","","0.71073","MoKα","","0.1027","0.0822","","","0.2481","0.264","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515937","9.872","0.005","4.921","0.003","16.859","0.009","90","","96.518","0.009","90","","813.7","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2NaG","(2Z)-[(2-{[(naphthalen-1-yloxy)acetyl]amino}propanoyl) imino]ethanoic acid","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C34 H36 N4 O10 -","2","1","","Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M.","The delicate balance between gelation and crystallisation: structural and computational investigations","Soft Matter","2010","6","17","4144","","10.1039/c0sm00409j","","","0.71073","MoKα","","0.1748","0.09","","","0.1911","0.2337","","","","","","0.865","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515938","9.917","0.001","11.1123","0.0011","28.247","0.003","90","","90","","90","","3112.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DA201109","2-[({[(naphthalen-1-yloxy)acetyl]amino}acetyl)amino]propanoic acid","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","2","","Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M.","The delicate balance between gelation and crystallisation: structural and computational investigations","Soft Matter","2010","6","17","4144","","10.1039/c0sm00409j","","","0.71073","MoKα","","0.0402","0.0346","","","0.074","0.0767","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1516035","15.9929","0.0008","21.5942","0.0012","21.8042","0.0011","66.888","0.003","74.051","0.003","73.462","0.003","6524.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Au24(SR)20","","","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","1","0.5","","Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao","Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster.","Nanoscale","2014","6","12","6458","6462","10.1039/c4nr01350f","","","1.54178","CuKα","","0.0916","0.0545","","","0.1578","0.1944","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516039","12.158","0.002","16.063","0.003","18.733","0.003","64.59","0.02","83.11","0.02","74.52","0.02","3184.6","1.1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H78 Au3 Cu2 N -","- C70 H78 Au3 Cu2 N -","- C140 H156 Au6 Cu4 N2 -","2","1","","Yip, Sung-Kong; Chan, Chui-Ling; Lam, Wai Han; Cheung, Kung-Kai; Yam, Vivian Wing-Wah","Synthesis, structure and luminescence studies of heterometallic gold(I)-copper(I) and -silver(I) alkynyl clusters/aggregates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2007","6","4","365","371","10.1039/b612334a","","","","","","","0.045","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516040","13.0556","0.0011","12.7471","0.0011","18.9654","0.0016","90","","109.859","0.001","90","","2968.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cr N10 O7 Yb -","- C18 H34 Cr N10 O7 Yb -","- C72 H136 Cr4 N40 O28 Yb4 -","4","1","","Lazarides, Theodore; Davies, Graham M.; Adams, Harry; Sabatini, Cristiana; Barigelletti, Francesco; Barbieri, Andrea; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D.","Ligand-field excited states of hexacyanochromate and hexacyanocobaltate as sensitisers for near-infrared luminescence from Nd(iii) and Yb(iii) in cyanide-bridged d-f assemblies.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2007","6","11","1152","1157","10.1039/b708683k","","","0.71073","MoKα","","0.0414","0.0293","","","0.0654","0.0693","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516041","9.5027","0.0006","8.2756","0.0005","17.7737","0.0011","90","","98.642","0.001","90","","1381.86","0.15","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Bis(2-tbutylphynylethynyl) anthracene","Bis(2-tbutylphynylethynyl) anthracene","","- C38 H34 -","- C38 H34 -","- C76 H68 -","2","0.5","","Beeby, Andrew; Findlay, Karen S.; Goeta, Andrés E; Porrès, Laurent; Rutter, Simon R.; Thompson, Amber L.","Engineering a twist in 9,10-diethynylanthracenes by steric interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2007","6","9","982","986","10.1039/b707750e","","","0.71073","MoKα","","0.0959","0.0538","","","0.1121","0.1262","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1517156","9.1575","0.0004","9.1575","0.0004","17.92","0.0015","90","","90","","120","","1301.44","0.14","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C57 H69 N3 O9 S3 -","3","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.0391","0.0344","","","0.0759","0.0779","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517157","5.4679","0.0009","8.3878","0.0013","45.772","0.007","90","","90","","90","","2099.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.1553","0.0671","","","0.1479","0.1932","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517158","32.114","0.002","8.7757","0.0003","22.7056","0.0007","90","","118.4","0.001","90","","5628.8","0.4","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 O2.5 P2 -","- C33 H29 O2.5 P2 -","- C264 H232 O20 P16 -","8","1","","Milton, Marilyn Daisy; Onodera, Gen; Nishibayashi, Yoshiaki; Uemura, Sakae","Double phosphinylation of propargylic alcohols: a novel synthetic route to 1,2-bis(diphenylphosphino)ethane derivatives.","Organic letters","2004","6","22","3993","3995","10.1021/ol048347k","","","0.7107","MoKα","","","0.058","","","","0.183","","","","","","1.439","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517159","9.0468","0.0018","9.605","0.0019","10.503","0.002","76.2","0.03","80.02","0.03","65.93","0.03","806.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Chowdari, Naidu S.; Suri, Jeff T.; Barbas, 3rd, Carlos F","Asymmetric synthesis of quaternary alpha- and beta-amino acids and beta-lactams via proline-catalyzed mannich reactions with branched aldehyde donors.","Organic letters","2004","6","15","2507","2510","10.1021/ol049248+","","","0.71073","MoKα","","0.0757","0.0573","","","0.1426","0.154","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517160","21.56","0.004","31.285","0.006","27.132","0.005","90","","97.14","0.03","90","","18159","6","253","2","253","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42.5 H53.5 Cl3 N4 O0.25 Pd S2 -","- C42.5 H52 Cl3 N4 O0.25 Pd S2 -","- C680 H832 Cl48 N64 O4 Pd16 S32 -","16","4","","Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong","Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides.","Organic letters","2004","6","10","1577","1580","10.1021/ol049697+","","","0.71073","MoKα","","0.1884","0.0806","","","0.2247","0.2675","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517162","13.3697","0.0014","8.2751","0.0009","13.404","0.0015","90","","111.977","0.002","90","","1375.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C56 H56 I4 N4 O4 -","4","1","","Tang, Yu; Li, Chaozhong","Facile 5-endo amidyl radical cyclization promoted by vinylic iodine substitution.","Organic letters","2004","6","19","3229","3231","10.1021/ol049052+","","","0.71073","MoKα","","0.0668","0.0488","","","0.1222","0.1308","","","","","","0.944","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517223","31.07","0.006","41.338","0.008","48.828","0.01","90","","97.22","0.03","90","","62216","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C1440 H1704 Br96 Cd96 N96 Nd32 O576 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.211","0.0953","","","0.2139","0.2475","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517224","25.51","0.005","42.22","0.008","44.45","0.009","66.84","0.03","87.11","0.03","77.59","0.03","42956","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C1100 H1278 Br80 Cd88 Cl62 N80 Nd24 O380 -","2","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.2329","0.0971","","","0.2265","0.2468","","","","","","1.073","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1517225","25.508","0.005","42.215","0.008","43.977","0.009","66.85","0.03","86.45","0.03","77.32","0.03","42465","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","1","0.5","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.214","0.092","","","0.1949","0.2554","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517226","30.073","0.006","41.754","0.008","48.731","0.01","90","","96.21","0.03","90","","60831","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C1440 H1704 Br96 Cd96 N96 O576 Yb32 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.1869","0.0923","","","0.2092","0.2294","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517271","27.3936","0.0007","39.1227","0.001","41.964","0.003","90","","107.152","0.008","90","","42973","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C371 H328 B16 Co8 F64 N72 O26 -","- C371 H315 B8 Co8 F32 N72 O26 -","- C1484 H1260 B32 Co32 F128 N288 O104 -","4","0.5","","Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D.","pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules","Chem. Sci.","2015","6","1","625","","10.1039/C4SC02090A","","","0.71075","MoKα","","0.226","0.163","","","0.4367","0.4692","","","","","","1.437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517300","21.628","0.005","6.8734","0.0011","21.792","0.005","90","","115.39","0.03","90","","2926.6","1.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C120 H136 N24 O32 -","8","1","","Subhasri, Annamalai; Anbuselvan, Chinnadurai","Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+","Analytical Methods","2014","6","15","5596","","10.1039/C4AY00653D","","","0.71073","MoKα","","0.1012","0.0548","","","0.1076","0.1339","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517344","7.9513","0.0004","10.1551","0.0005","11.4377","0.0005","103.368","0.001","96.21","0.001","100.246","0.001","873.38","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl Cu N3 O2 -","- C17 H22 Cl Cu N3 O2 -","- C34 H44 Cl2 Cu2 N6 O4 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0534","0.0515","","","0.1601","0.1622","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517345","10.9272","0.001","11.816","0.0011","18.887","0.002","73.759","0.001","81.897","0.001","72.621","0.001","2230","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","1","0.5","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0586","0.0478","","","0.1168","0.1233","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517346","17.2957","0.0012","6.6675","0.0005","18.3318","0.0009","90","","119.727","0.005","90","","1835.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N4 O4 -","- C20 H20 Cu N4 O4 -","- C80 H80 Cu4 N16 O16 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0713","0.0414","","","0.1044","0.1199","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517347","11.893","0.009","21.582","0.009","12.732","0.005","90","","92.466","0.009","90","","3265","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl2 Cu2 N6 O12 -","- C25 H34 Cl2 Cu2 N6 O12 -","- C100 H136 Cl8 Cu8 N24 O48 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71069","MoKα","","0.17","0.0626","","","0.1175","0.1479","","","","","","1.004","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517348","7.629","0.003","13.448","0.004","17.723","0.005","110.693","0.004","97.801","0.004","94.246","0.004","1670.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl2 Cu2 N6 O11 -","- C31 H32 Cl2 Cu2 N6 O11 -","- C62 H64 Cl4 Cu4 N12 O22 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0874","0.0721","","","0.2024","0.2123","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517349","15.8661","0.0005","15.9224","0.0005","26.4434","0.0009","76.076","0.001","87.396","0.001","68.366","0.001","6020.3","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H125 Cu8 N31 O43 -","- C89 H87 Cu8 N31 O39 -","- C178 H174 Cu16 N62 O78 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71073","MoKα","","0.0652","0.0445","","","0.1316","0.14","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517414","27.1414","0.0005","27.1414","0.0005","7.5825","0.0004","90","","90","","90","","5585.7","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H18 Cl N5 O2.25 Ru -","- C27 H19 Cl N5 O2.25 Ru -","- C216 H152 Cl8 N40 O18 Ru8 -","8","1","","Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong","Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.","Metallomics : integrated biometal science","2014","6","12","2204","2212","10.1039/c4mt00158c","","","0.71073","MoKα","","0.0856","0.065","","","0.1963","0.2121","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517459","12.731","0.002","15.301","0.003","13.247","0.002","90","","109.038","0.003","90","","2439.3","0.7","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","compound 4a","","","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C92 H88 Cl4 F12 N2 O14 P6 Ru2 S4 -","2","1","","Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter","Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis","Chem. Sci.","2015","6","1","693","","10.1039/C4SC02087A","","","0.71073","MoKα","","0.0838","0.0571","","","0.1098","0.1212","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517514","13.8831","0.0007","9.8745","0.0005","9.719","0.0006","90","","94.232","0.005","90","","1328.73","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tc(benzol)2]PF6","","","- C12 H12 F6 P Tc -","- C12 H12 F6 P Tc -","- C48 H48 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0527","0.0317","","","0.0757","0.0904","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517515","7.7559","0.0008","11.003","0.0008","8.9353","0.0008","90","","98.474","0.009","90","","754.2","0.12","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(toluene)2]PF6","","","- C14 H16 F6 P Tc -","- C14 H16 F6 P Tc -","- C28 H32 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0609","0.0408","","","0.0876","0.0981","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517516","9.2697","0.0005","13.0695","0.0016","15.815","0.006","90","","90","","90","","1916","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tc(mesitylene)2]PF6","","","- C18 H24 F6 P Tc -","- C18 H24 F6 P Tc -","- C72 H96 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0372","0.0336","","","0.0615","0.0642","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517517","8.7563","0.0006","12.1899","0.0011","9.5187","0.0015","90","","108.089","0.01","90","","965.8","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(teralin)2]PF6","","","- C20 H24 F6 P Tc -","- C20 H24 F6 P Tc -","- C40 H48 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0455","0.0378","","","0.0986","0.1065","","","","","","1.083","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517518","8.8724","0.0003","23.5963","0.0007","9.6318","0.0003","90","","96.888","0.003","90","","2001.92","0.11","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H49 Al Cl7 N7 O7 Tc -","- C21 H49 Al Cl7 N7 O7 Tc -","- C42 H98 Al2 Cl14 N14 O14 Tc2 -","2","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0341","0.0305","","","0.0651","0.0674","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517671","15.5436","0.0006","8.7069","0.0003","12.5382","0.0003","90","","92.769","0.001","90","","1694.9","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R.","Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck–Suzuki reaction","Chem. Sci.","2015","6","1","390","","10.1039/C4SC02547D","","","0.71073","MoKα","","0.0782","0.0423","","","0.0945","0.1012","","","","","","0.906","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517679","7.9704","0.0006","9.6387","0.0007","26.395","0.002","90","","98.556","0.004","90","","2005.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B2 F8 N4 -","- C18 H18 B2 F8 N4 -","- C72 H72 B8 F32 N16 -","4","1","","Jo, Hyun Hwa; Edupuganti, Ramakrishna; You, Lei; Dalby, Kevin N.; Anslyn, Eric V.","Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","158","164","10.1039/C4SC02495H","","","0.71073","MoKα","","0.0746","0.0482","","","0.1119","0.1281","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517680","13.528","0.003","20.05","0.004","18.26","0.004","90","","107.1","0.03","90","","4733.8","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C156 H144 Ag12 F36 N48 O38 S12 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.710747","MoKα","","0.0599","0.0529","","","0.1083","0.1131","","","","","","1.095","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517681","10.57","0.002","21.277","0.004","23.103","0.005","90","","90","","90","","5195.8","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Ag5 F9 N12 O10 S4 -","- C40 H36 Ag5 F9 N12 O10 S4 -","- C160 H144 Ag20 F36 N48 O40 S16 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1517","0.1363","","","0.3604","0.3768","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517682","23.725","0.005","19.387","0.004","18.732","0.004","90","","90.71","0.03","90","","8615","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Ag5 F9 N24 O9 S4 -","- C75 H72 Ag5 F9 N24 O9 S4 -","- C300 H288 Ag20 F36 N96 O36 S16 -","4","0.5","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1356","0.1143","","","0.206","0.2169","","","","","","1.236","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517683","12.772","0.003","35.464","0.007","25.664","0.005","90","","90","","90","","11624","4","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C320 H288 Ag48 F84 N96 O128 S36 -","8","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1315","0.1258","","","0.3468","0.3558","","","","","","1.154","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517789","13.7149","0.0012","15.9855","0.0013","20.8687","0.0017","103.455","0.001","105.879","0.001","93.251","0.002","4244.3","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H54 O6 -","- C51 H54 O6 -","- C204 H216 O24 -","4","2","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.1063","0.0557","","","0.1635","0.2363","","","","","","0.972","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517790","11.5532","0.0019","30.664","0.005","7.71","0.0013","90","","90.771","0.003","90","","2731.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 O8 -","- C68 H72 O8 -","- C136 H144 O16 -","2","0.5","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.0795","0.055","","","0.1501","0.1635","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517834","11.641","0.0008","8.7512","0.0006","14.7356","0.001","90","","92.598","0.001","90","","1499.61","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.0544","0.0453","","","0.1115","0.1191","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517835","22.782","0.002","7.5608","0.0008","26.996","0.003","90","","102.942","0.001","90","","4531.9","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20.5 Cl N6.5 O7 Zn -","- C19 H20.5 Cl N6.5 O7 Zn -","- C152 H164 Cl8 N52 O56 Zn8 -","8","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.1222","0.0678","","","0.1595","0.1888","","","","","","1.023","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517851","21.073","0.006","7.448","0.002","23.393","0.006","90","","90","","90","","3671.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.0782","0.0454","","","0.1009","0.1156","","","","","","0.992","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517852","16.833","0.002","19.112","0.002","30.84","0.004","90","","101.398","0.001","90","","9726","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111 H92 Co4 N16 O16 -","- C111 H92 Co4 N16 O16 -","- C444 H368 Co16 N64 O64 -","4","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.059","0.0551","","","0.1732","0.1774","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517853","18.4101","0.0007","17.6277","0.0007","30.4003","0.0012","90","","106.78","0.002","90","","9445.7","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H158 B2 Co8 F8 N24 Na4 O34 -","- C179 H137 B2 Co8 F8 N21 Na4 O34 -","- C358 H274 B4 Co16 F16 N42 Na8 O68 -","2","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.71073","MoKα","","0.1048","0.0895","","","0.263","0.2755","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517854","14.4228","0.0002","14.8678","0.0005","15.4212","0.0009","112.831","0.003","96.488","0.004","108.933","0.002","2772.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H87 N O7 S U -","- C62 H87 N O7 S U -","- C124 H174 N2 O14 S2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0261","0.0189","","","0.045","0.0492","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517855","16.827","0.001","17.007","0.001","19.804","0.002","88.022","0.003","80.746","0.003","82.903","0.003","5550.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H83 N O5 Se U -","- C64 H83 N O5 Se U -","- C256 H332 N4 O20 Se4 U4 -","4","2","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0463","0.0354","","","0.0813","0.0867","","","","","","1.047","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517856","11.2439","0.0015","12.9994","0.0017","18.636","0.003","102.273","0.004","101.519","0.004","100.806","0.004","2531.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H77 N O5 Te U -","- C58 H77 N O5 Te U -","- C116 H154 N2 O10 Te2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0215","0.0205","","","0.0514","0.0518","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517857","11.1756","0.0016","16.817","0.002","28.662","0.004","85.233","0.005","87.451","0.005","88.366","0.005","5361.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124.5 H154.5 N2 O6 S2 U2 -","- C124.5 H154.5 N2 O6 S2 U2 -","- C249 H309 N4 O12 S4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0321","0.0257","","","0.0608","0.0629","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517858","11.217","0.002","16.815","0.003","28.68","0.003","85.324","0.009","87.434","0.009","88.412","0.016","5384.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H156 N2 O6 Se2 U2 -","- C126 H156 N2 O6 Se2 U2 -","- C252 H312 N4 O12 Se4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0489","0.0335","","","0.0656","0.0701","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517859","16.773","0.0006","16.923","0.0016","25.039","0.003","105.196","0.006","102.968","0.007","101.507","0.007","6426.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H179.5 N2 O6.35 Te2 U2 -","- C150 H179.5 N2 O6.35 Te2 U2 -","- C300 H359 N4 O12.7 Te4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.055","0.036","","","0.075","0.0839","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517870","11.7956","0.0012","12.394","0.0012","13.9527","0.0014","85.713","0.005","81.671","0.006","80.615","0.005","1988.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Cl N Rh -","- C21 H26 Cl N Rh -","- C84 H104 Cl4 N4 Rh4 -","4","2","","Hyster, Todd K.; Dalton, Derek M.; Rovis, Tomislav","Ligand Design for Rh(III)-Catalyzed C-H Activation: An Unsymmetrical Cyclopentadienyl Enables a Regioselective Synthesis of Dihydroisoquinolones.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","254","258","10.1039/C4SC02590C","","","0.71073","MoKα","","0.1003","0.0519","","","0.1073","0.1324","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517871","11.733","0.0002","12.1852","0.0002","13.1641","0.0002","85.129","0.001","80.243","0.001","74.103","0.002","1782.43","0.05","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C58 H34 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0223","0.017","","","0.0307","0.0311","","","","","","0.897","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517872","11.9982","0.0002","13.3448","0.0002","14.1016","0.0002","65.329","0.001","78.072","0.001","66.415","0.002","1878.24","0.06","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C58 H34 As10 Cl4 F24 Fe2 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0272","0.02","","","0.0394","0.04","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517873","11.4347","0.0001","23.4865","0.0002","15.1315","0.0001","90","","90","","90","","4063.73","0.06","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 Fe P5 -","- C9 H13 Fe P5 -","- C108 H156 Fe12 P60 -","12","1.5","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.0225","0.0213","","","0.0541","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517874","18.7588","0.0008","6.5778","0.0003","14.1509","0.0006","90","","90","","90","","1746.1","0.13","123","1","123","1","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.051","0.0427","","","0.091","0.0929","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517875","9.0507","0.0001","25.602","0.0003","10.1648","0.0002","90","","115.783","0.002","90","","2120.87","0.06","123","1","123","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Fe P5 -","- C17 H29 Fe P5 -","- C68 H116 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0283","0.023","","","0.0609","0.0618","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517876","12.0744","0.0002","12.2486","0.0002","14.5238","0.0003","69.244","0.002","82.395","0.002","65.44","0.002","1826.58","0.07","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H21 F12 Fe Hg3 P5 -","- C31 H21 F12 Fe Hg3 P5 -","- C62 H42 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.023","0.0178","","","0.0344","0.0349","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517877","12.3145","0.0003","26.4751","0.0006","14.4338","0.0003","90","","107.168","0.002","90","","4496.14","0.18","123","1","123","1","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C146 H128 Cl12 F48 Fe4 Hg12 P20 -","4","2","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0295","0.0237","","","0.0384","0.0387","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517878","48.2155","0.0011","14.138","0.0002","22.3159","0.0005","90","","109.887","0.002","90","","14304.9","0.5","123","1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H53 As15 F12 Fe3 Hg3 -","- C55 H53 As15 F12 Fe3 Hg3 -","- C440 H424 As120 F96 Fe24 Hg24 -","8","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0369","0.0267","","","0.053","0.0561","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517879","9.2776","0.0002","9.7199","0.0002","12.7689","0.0002","103.463","0.001","100.8","0.002","97.447","0.002","1081.75","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C19 H2 Cl2 F12 Hg3 -","- C19 H2 Cl2 F12 Hg3 -","- C38 H4 Cl4 F24 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0382","0.0243","","","0.047","0.0485","","","","","","0.945","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517880","11.6373","0.0004","11.8015","0.0003","15.7005","0.0005","89.754","0.002","68.252","0.003","66.286","0.003","1806.94","0.12","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C56 H30 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0549","0.0353","","","0.0529","0.0548","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517881","9.0486","0.0005","12.7853","0.0007","14.6892","0.0008","84.024","0.002","74.906","0.002","69.739","0.002","1539.05","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F18 Li2 O2 -","- C26 H24 F18 Li2 O2 -","- C52 H48 F36 Li4 O4 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0557","0.0495","","","","0.1391","","","","","","1.0614","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517882","9.1239","0.0003","24.4308","0.0008","12.5042","0.0006","90","","97.114","0.001","90","","2765.78","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 B F18 -","- C28 H17 B F18 -","- C112 H68 B4 F72 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0593","0.0543","","","","0.1489","","","","","","1.0564","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517883","8.8391","0.0003","34.0268","0.0011","9.5807","0.0003","90","","100.72","0.001","90","","2831.26","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B N -","- C36 H36 B N -","- C144 H144 B4 N4 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.046","","","","0.1265","","","","","","1.0575","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517884","23.5023","0.0011","23.5023","0.0011","25.182","0.0012","90","","90","","90","","13909.5","1.1","100","","100","","","","","","","","","5","I 41","I 4bw","80","","","","- C36 H18 B F18 N -","- C36 H18 B F18 N -","- C576 H288 B16 F288 N16 -","16","2","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0852","0.0628","","","","0.1952","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517885","15.56","0.0011","8.7136","0.0006","35.624","0.003","90","","90","","90","","4830","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C192 H72 B8 F144 -","8","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","","0.71073","MoKα","","0.072","0.0479","","","0.1162","0.1297","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517889","5.7962","0.0003","29.2094","0.0014","15.6928","0.0008","90","","97.272","0.003","90","","2635.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","HM-II-156A-needles","tostediazene","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C120 H120 N12 O18 -","6","3","","Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D.","Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","170","173","10.1039/C4SC02494J","","","1.54178","CuKα","","0.0448","0.0431","","","0.111","0.1126","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517951","30.5162","0.0006","30.5162","0.0006","71.022","0.002","90","","90","","120","","57278","2","298","","298","","","","","","","","","6","R -3","-R 3","148","","","","- C252 H276 Co4 F36 N48 P6 -","- C252 H276 Co4 F36 N48 P6 -","- C1512 H1656 Co24 F216 N288 P36 -","6","","","Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J.","Non-equilibrium cobalt(iii) “click” capsules","Chem. Sci.","2015","6","1","756","","10.1039/C4SC03036B","","x-ray","0.6889","","","0.1352","0.1218","","","0.3268","0.3455","","","","","","1.553","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517963","26.585","0.0003","24.926","0.0003","15.939","0.0003","90","","90","","90","","10562.1","0.3","293","2","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- F0.5 O32.5 Si16 -","- F0.5 O32.5 Si16 -","- F4 O260 Si128 -","8","0.5","","Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino","ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels","Chem. Sci.","2015","6","1","480","","10.1039/C4SC02577F","","","0.0197","Electron200kV","","0.3174","0.2892","","","0.5607","0.6068","","","","","","3.133","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517964","17.435","0.004","15.662","0.003","24.139","0.005","90","","90","","90","","6592","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl3(PPh3)ClPPh3","","","- C36 H30 Cl4 Ni P2 -","- C36 H30 Cl4 Ni P2 -","- C288 H240 Cl32 Ni8 P16 -","8","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0527","0.0327","","","0.0649","0.072","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517965","13.338","0.003","14.376","0.003","8.7454","0.0017","90","","102.53","0.03","90","","1637","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl2P(PPh3)3","","","- C18 H15 Cl2 P -","- C18 H15 Cl2 P -","- C72 H60 Cl8 P4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.033","0.0272","","","0.0677","0.071","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517966","11.255","0.002","9.1501","0.0018","18.658","0.004","90","","93.04","0.03","90","","1918.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ClPPh3OTf","","","- C19 H15 Cl F3 O3 P S -","- C19 H15 Cl F3 O3 P S -","- C76 H60 Cl4 F12 O12 P4 S4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0425","0.0323","","","0.0697","0.0737","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517967","10.1261","0.0008","23.4579","0.0018","17.8192","0.0014","90","","106.355","0.0012","90","","4061.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl4(PPh2(THF)2)2","","","- C40 H48 Cl4 Ni O4 P2 -","- C40 H48 Cl4 Ni O4 P2 -","- C160 H192 Cl16 Ni4 O16 P8 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0789","0.0593","","","0.1234","0.1315","","","","","","1.118","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517970","7.0801","0.0004","10.0993","0.0007","10.1771","0.0007","97.689","0.005","99.69","0.005","92.96","0.005","708.82","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Br2 N O -","- C12 H12 Au Br2 N O -","- C24 H24 Au2 Br4 N2 O2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","","0.71073","MoKα","","0.0714","0.0658","","","0.1853","0.1941","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517971","15.9554","0.0003","11.7205","0.0002","16.839","0.0004","90","","90","","90","","3148.98","0.11","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Au Br N -","- C18 H15 Au Br N -","- C144 H120 Au8 Br8 N8 -","8","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.0704","0.0677","","","0.167","0.1723","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517972","7.8572","0.0003","8.2744","0.0004","15.3789","0.0005","93.413","0.003","103.381","0.003","113.776","0.004","876.93","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Au Cl2 N -","- C18 H16 Au Cl2 N -","- C36 H32 Au2 Cl4 N2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.041","0.0393","","","0.0976","0.1002","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517979","6.8436","0.0004","26.8023","0.0014","8.3932","0.0005","90","","90.9","0.0013","90","","1539.33","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-((1-(naphthalen-2-yl)ethyl)carbamoyl)picolinic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0268","0.0255","","","0.0664","0.0673","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517980","6.8507","0.0004","26.777","0.0017","8.4103","0.0005","90","","90.84","0.002","90","","1542.63","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0338","0.0321","","","0.0857","0.087","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517981","5.4249","0.0002","16.5948","0.0006","11.417","0.0004","90","","98.277","0.002","90","","1017.11","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.0307","0.0306","","","0.0806","0.0808","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517982","5.4288","0.0002","16.6067","0.0006","11.4114","0.0004","90","","98.2867","0.0018","90","","1018.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.031","0.0309","","","0.0762","0.0763","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517983","26.0015","0.0012","26.4029","0.0011","30.8305","0.0011","90","","90","","90","","21165.6","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C57 H49.5 Eu N6 O11.5 -","- C57 H49.5 Eu N6 O11.5 -","- C912 H792 Eu16 N96 O184 -","16","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.1512","0.0834","","","0.2161","0.2618","","","","","","1.009","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517989","16.3383","0.0013","9.6603","0.0013","13.6431","0.0012","90","","113.262","0.007","90","","1978.3","0.4","296","2","296","2","","","","","","","-","4","C 1 2/c 1","-C 2yc","15","","(E)-4-((2-hydroxyethylimino) methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","1","","Annaraj, B.; Neelakantan, M. A.","Water-soluble pyridine-based colorimetric chemosensor for naked eye detection of silver ions: design, synthesis, spectral and theoretical investigation","Anal. Methods","2014","6","24","9610","","10.1039/C4AY01592D","","","0.71073","MoKα","","0.0605","0.0432","","","0.1242","0.1483","","","","","","0.879","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517990","53.108","0.011","21.244","0.004","26.197","0.005","90","","98.53","0.03","90","","29229","10","95","0.2","95","0.2","","","","","","","","3","C 1 2 1","C 2y","5","C60_in_[4]CA","","","- C197.82 H137.82 Cl5.46 -","- C197.819 H137.819 Cl5.4585 -","- C1582.56 H1102.56 Cl43.668 -","8","2","","Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki","Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures","Chem. Sci.","2015","6","2","909","","10.1039/C4SC02812K","","","0.96","synchrotron","","0.1605","0.142","","","0.3558","0.3849","","","","","","1.5","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518019","25.2527","0.0004","13.9068","0.0002","24.7327","0.0005","90","","90","","90","","8685.7","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H66 Al Cl5 P2 Pb Pt -","- C36 H66 Al Cl5 P2 Pb Pt -","- C288 H528 Al8 Cl40 P16 Pb8 Pt8 -","8","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0444","0.038","","","0.08","0.0821","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518020","10.5092","0.0006","15.3892","0.001","20.0776","0.0012","109.785","0.002","90.439","0.002","90.796","0.002","3054.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","1","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0275","0.0209","","","0.0435","0.0454","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518021","13.381","0.004","13.612","0.004","13.987","0.003","92.698","0.01","111.864","0.013","101.984","0.01","2291","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H66 Al Cl4 I P2 Pb Pt -","- C36 H66 Al Cl4 I P2 Pb Pt -","- C72 H132 Al2 Cl8 I2 P4 Pb2 Pt2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0575","0.0507","","","0.1397","0.1442","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518022","20.719","0.002","10.6901","0.0009","23.859","0.002","90","","111.311","0.004","90","","4923.1","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C144 H264 Al8 Cl32 P8 Pb4 Pt4 -","4","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0265","0.0213","","","0.0417","0.0431","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518023","13.9687","0.0007","14.2448","0.0007","21.1628","0.0015","96.439","0.002","101.9","0.002","114.878","0.002","3643.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H132 Br2 P4 Pt2 Sn -","- C72 H132 Br2 P4 Pt2 Sn -","- C144 H264 Br4 P8 Pt4 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0612","0.0347","","","0.0659","0.0719","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518024","11.5394","0.0006","12.469","0.0007","17.7","0.001","105.191","0.002","100.053","0.002","107.994","0.002","2245.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 Al Br5 P2 Pt Sn -","- C36 H66 Al Br5 P2 Pt Sn -","- C72 H132 Al2 Br10 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0805","0.0824","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518025","13.5049","0.0008","15.4437","0.0009","15.6528","0.0008","82.203","0.002","78.913","0.002","85.651","0.002","3169.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 B Br Cl8 P2 Pt Sn -","- C60 H78 B Br Cl8 P2 Pt Sn -","- C120 H156 B2 Br2 Cl16 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0477","0.0369","","","0.0805","0.0876","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518026","13.2989","0.0018","22.907","0.003","16.964","0.004","90","","99.008","0.007","90","","5104.1","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al2 Br8 P2 Pt Sn -","- C36 H66 Al2 Br8 P2 Pt Sn -","- C144 H264 Al8 Br32 P8 Pt4 Sn4 -","4","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0367","0.0285","","","0.0669","0.0693","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518027","15.687","0.003","20.715","0.004","21.567","0.003","75.297","0.009","82.231","0.008","78.538","0.011","6617","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H110 Br3 N O P2 Pt Sn -","- C56 H110 Br3 N O P2 Pt Sn -","- C224 H440 Br12 N4 O4 P8 Pt4 Sn4 -","4","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0307","0.0235","","","0.0545","0.0568","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518028","12.26","0.0008","12.5792","0.0008","15.8788","0.0011","75.171","0.001","71.664","0.001","67.768","0.001","2125.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C72 H99 Cl2 F24 Fe2 Li4 N2 O12 -","2","1","","Pascualini, M. E.; Di Russo, N. V.; Thuijs, A. E.; Ozarowski, A.; Stoian, S. A.; Abboud, K. A.; Christou, G.; Veige, A. S.","A high-spin square-planar Fe(ii) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution","Chem. Sci.","2015","6","1","608","","10.1039/C4SC02634A","","","0.71073","MoKα","","0.0954","0.08","","","0.2091","0.2251","","","","","","1.043","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518029","16.751","0.005","16.92","0.005","17.211","0.005","73.79","0.004","77.398","0.004","62.104","0.003","4118","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H95 Au25 N Se19 -","- C119 H90 Au25 N Se18 -","- C119 H90 Au25 N Se18 -","1","0.5","","Song, Yongbo; Zhong, Juan; Yang, Sha; Wang, Shuxin; Cao, Tiantian; Zhang, Jun; Li, Peng; Hu, Daqiao; Pei, Yong; Zhu, Manzhou","Crystal structure of Au25(SePh)18 nanoclusters and insights into their electronic, optical and catalytic properties.","Nanoscale","2014","6","22","13977","13985","10.1039/c4nr04631e","","","0.71073","MoKα","","0.1233","0.0656","","","0.1897","0.2208","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518079","8.5406","0.0018","8.5891","0.0018","14.093","0.003","84.9","0.005","84.781","0.005","88.091","0.005","1025.1","0.4","293","2","143","2","","","","","","","","4","P -1","-P 1","2","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","","- C12 As2 F21 Se2 -","- C12 As2 F21 Se2 -","- C24 As4 F42 Se4 -","2","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0421","0.0264","","","0.06","0.066","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518080","15.695","0.003","15.264","0.002","16.274","0.002","90","","93.45","0.01","90","","3891.7","1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 S2 -","- C48 H50 S2 -","- C192 H200 S8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.101","0.0609","","","0.1446","0.1663","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518081","16.17","0.003","15.837","0.003","17.339","0.004","90","","92.97","0.03","90","","4434.3","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 F6 S2 Sb -","- C48 H50 F6 S2 Sb -","- C192 H200 F24 S8 Sb4 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","x-ray","0.71073","MoKα","K-L~3~","0.1171","0.0543","","","0.098","0.1195","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518082","19.147","0.006","15.238","0.005","16.653","0.009","90","","90.08","0.03","90","","4859","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Cl2 F6 Sb Se2 -","- C49 H52 Cl2 F6 Sb Se2 -","- C196 H208 Cl8 F24 Sb4 Se8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.1373","0.0705","","","0.1553","0.1879","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518083","19.854","0.005","14.726","0.003","17.178","0.009","90","","92.07","0.04","90","","5019","3","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H55 F6 N Sb Te2 -","- C51 H55 F6 N Sb Te2 -","- C204 H220 F24 N4 Sb4 Te8 -","4","0.5","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0814","0.0523","","","0.1188","0.1346","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518084","12.029","0.004","12.276","0.006","14.44","0.007","90","","97.662","0.014","90","","2113.3","1.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 F21 S2 Sb2 -","- C12 F21 S2 Sb2 -","- C48 F84 S8 Sb8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.082","0.0469","","","0.116","0.1395","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518097","11.6106","0.0003","17.2668","0.0006","18.6161","0.0004","113.198","0.002","95.475","0.002","105.211","0.001","3226","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C120 H156 Cl4 Ir2 N4 O13 P4 S4 -","2","1","","Oldenhof, Sander; Lutz, Martin; de Bruin, Bas; Ivar van der Vlugt, Jarl; Reek, Joost N. H.","Dehydrogenation of formic acid by Ir–bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand","Chem. Sci.","2015","6","2","1027","","10.1039/C4SC02555E","","","0.71073","MoKα","","0.0293","0.0273","","","0.0777","0.0788","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518098","12.1231","0.001","12.9429","0.0011","17.2915","0.0014","95.734","0.002","108.021","0.002","113.144","0.0019","2295","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C120 H100 N4 O16 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0698","0.0464","","","0.1113","0.1258","","","","","","1.006","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518099","12.6166","0.0015","16.35","0.002","16.738","0.002","87.227","0.002","75.478","0.003","67.501","0.003","3083.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H20 Cl F10 N -","- C38.5 H20 Cl F10 N -","- C154 H80 Cl4 F40 N4 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0809","0.0485","","","0.0984","0.1135","","","","","","1.013","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518123","11.3662","0.0002","12.5415","0.0003","32.7762","0.0008","90","","91.676","0.002","90","","4670.22","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Zhu, Min; Zhou, Shiming; Yao, Chuanhao; Liao, Lingwen; Wu, Zhikun","Reduction-resistant and reduction-catalytic double-crown nickel nanoclusters.","Nanoscale","2014","6","23","14195","14199","10.1039/c4nr04981k","","","1.54184","CuKα","","0.1052","0.0922","","","0.2378","0.2468","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518139","24.415","0.003","24.415","0.003","15.337","0.004","90","","90","","90","","9142","3","296","2","296","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- C40 H60 Cu3 K N8 O54 Ru Si W11 -","- C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04 -","- C160 H128 Cu12 K4 N32 O215.96 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.1156","0.0509","","","0.1256","0.1708","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518140","17.8663","0.0012","22.1923","0.0015","22.2835","0.0015","90","","90","","90","","8835.3","1","296","2","296","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C40 H58 Cu2 K N8 O52 Ru Si W11 -","- C40 H32 Cu2 K N8 O52 Ru0.96 Si W11.04 -","- C160 H128 Cu8 K4 N32 O208 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.0971","0.0753","","","0.1918","0.2042","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518141","11.6434","0.0003","10.03245","0.00018","20.857","0.0004","90","","103.161","0.002","90","","2372.35","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-4-methyl-4-phenyl-4,5-dihydrooxazole","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Brachet, E.; Ghosh, T.; Ghosh, I.; König, B.","Visible light C–H amidation of heteroarenes with benzoyl azides","Chem. Sci.","2015","6","2","987","","10.1039/C4SC02365J","","x-ray","1.54184","CuKα","","0.0412","0.0366","","","0.0975","0.1027","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518142","8.3156","0.0003","9.9732","0.0004","14.574","0.0005","90","","102.762","0.002","90","","1178.81","0.08","93.1","","93.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0467","","","","0.1212","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518143","8.3745","0.0004","10.0838","0.0005","14.5833","0.0007","90","","103.496","0.003","90","","1197.51","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N2 O4 -","- C13 H9 N2 O4 -","- C52 H36 N8 O16 -","4","2","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0834","","","","0.21","","","","","","0.706","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518144","7.24677","0.00014","14.8112","0.0003","11.0943","0.0002","90","","99.3083","0.0012","90","","1175.11","0.04","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0414","","","","0.1031","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518145","7.1667","0.0004","5.2718","0.0003","15.7374","0.0009","90","","101.26","0.003","90","","583.14","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0354","","","","0.1047","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518146","7.1322","0.0004","5.2282","0.0003","15.7662","0.0009","90","","101.237","0.003","90","","576.63","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0501","","","","0.1089","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518147","6.56098","0.00012","13.5445","0.0003","13.6122","0.0003","90","","90","","90","","1209.65","0.04","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0271","","","","0.0692","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518148","16.026","0.003","8.7017","0.0015","17.485","0.003","90","","115.469","0.006","90","","2201.4","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H40 B4 N4 O6 -","- C12 H40 B4 N4 O6 -","- C48 H160 B16 N16 O24 -","4","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0752","0.0568","","","0.1214","0.1302","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518149","6.9419","0.0007","8.8077","0.0008","12.4471","0.0012","91.79","0.003","103.761","0.003","111.731","0.003","680.64","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H26 B4 N4 O2 -","- C4 H26 B4 N4 O2 -","- C8 H52 B8 N8 O4 -","2","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0862","0.0637","","","0.1605","0.1753","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518154","14.5572","0.0008","13.9044","0.0008","24.0822","0.0014","90","","90","","90","","4874.5","0.5","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C22 H22.5 B Cl Cr F4 N4.5 O3 -","- C22 H17 B Cl Cr F4 N4.5 O3 -","- C176 H136 B8 Cl8 Cr8 F32 N36 O24 -","8","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0629","0.0502","","","0.1267","0.1357","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518155","9.683","0.004","22.83","0.008","11.317","0.004","90","","104.712","0.004","90","","2419.7","1.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 B2 Cr F8 N5 O2 -","- C21 H20 B2 Cr F8 N5 O2 -","- C84 H80 B8 Cr4 F32 N20 O8 -","4","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)–oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0732","0.0527","","","0.115","0.1233","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518167","12.1595","0.0008","12.7622","0.0008","22.2587","0.0014","100.93","0.0008","104.448","0.0008","95.5814","0.0008","3246.1","0.4","138","2","138","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Si6 Th -","- C51 H99 K N2 O6 Si6 Th -","- C102 H198 K2 N4 O12 Si12 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0361","0.0287","","","0.0594","0.0621","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518168","17.1884","0.0016","18.0161","0.0016","22.654","0.002","90","","99.6558","0.0011","90","","6915.8","1.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H103 K O8 Si6 Th -","- C53 H103 K O8 Si6 Th -","- C212 H412 K4 O32 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0511","0.0384","","","0.0921","0.0976","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518169","17.547","0.001","13.6955","0.0008","19.1293","0.0011","90","","112.595","0.0007","90","","4244.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H63 Si6 Th -","- C33 H63 Si6 Th -","- C132 H252 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0275","0.0208","","","0.0455","0.0478","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518170","20.2007","0.0016","8.1694","0.0006","19.9544","0.0015","90","","91.3531","0.0009","90","","3292.1","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Si4 Th -","- C30 H50 Si4 Th -","- C120 H200 Si16 Th4 -","4","0.5","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.027","0.0261","","","0.0584","0.0586","","","","","","1.399","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518200","7.8497","0.0005","10.7861","0.0008","14.7876","0.001","109.56","0.003","91.8983","0.0018","111.312","0.003","1081.87","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","1","","Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki","Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light","Chem. Sci.","2015","6","2","973","","10.1039/C4SC01993H","","","0.71075","MoKα","","","0.0503","","","","0.1454","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518209","9.1445","0.0019","7.8648","0.0016","15.71","0.003","90","","106.294","0.005","90","","1084.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Au Cl2 F N -","- C11 H7 Au Cl2 F N -","- C44 H28 Au4 Cl8 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0413","0.032","","","0.0882","0.0934","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518210","14.8527","0.0013","16.3867","0.0014","17.62","0.0015","90.156","0.001","91.414","0.001","114.256","0.001","3908.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Au F2 N -","- C24 H18 Au F2 N -","- C192 H144 Au8 F16 N8 -","8","4","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0406","0.0313","","","0.0748","0.079","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518211","9.334","0.0011","11.4331","0.0013","12.8416","0.0017","73.407","0.004","81.938","0.004","73.869","0.003","1258.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Au Cl2 F6 N -","- C27 H20 Au Cl2 F6 N -","- C54 H40 Au2 Cl4 F12 N2 -","2","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0752","0.0674","","","0.1648","0.1752","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518212","11.1263","0.0003","14.1527","0.0004","26.2319","0.0007","90","","90","","90","","4130.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Au N3 O4 -","- C24 H18 Au N3 O4 -","- C192 H144 Au8 N24 O32 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0382","0.0303","","","0.0573","0.0598","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518213","35.5669","0.0009","35.5669","0.0009","7.2973","0.0002","90","","90","","90","","9231.1","0.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H20 Au N S2 -","- C27.9952 H19.997 Au N S1.9994 -","- C447.923 H319.952 Au16 N16 S31.9904 -","16","","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0349","0.0326","","","0.0639","0.0646","","","","","","1.399","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518214","7.5722","0.0007","16.2301","0.0014","16.7076","0.0018","90","","93.349","0.004","90","","2049.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Au N -","- C26 H24 Au N -","- C104 H96 Au4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0863","0.0693","","","0.1635","0.175","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518215","19.4071","0.0009","15.6565","0.0007","19.6251","0.0009","90","","112.078","0.001","90","","5525.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au N O2 -","- C30 H32 Au N O2 -","- C240 H256 Au8 N8 O16 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0488","0.0382","","","0.0784","0.0841","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518216","9.4066","0.001","13.227","0.0014","13.1786","0.0014","90","","110.251","0.002","90","","1538.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Au Cl F N -","- C18 H14 Au Cl F N -","- C72 H56 Au4 Cl4 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0376","0.0304","","","0.0719","0.075","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518217","10.34","0.002","18.881","0.004","9.579","0.002","90","","110.408","0.003","90","","1752.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Au Cl N -","- C22 H17 Au Cl N -","- C88 H68 Au4 Cl4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0423","0.0311","","","0.0753","0.0812","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518218","22.3204","0.0012","11.4097","0.0005","7.0554","0.0003","90","","90","","90","","1796.79","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20.62 H17.23 Au Cl1.23 N O -","- C20.617 H17.234 Au Cl1.234 N O -","- C82.468 H68.936 Au4 Cl4.936 N4 O4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0336","0.0281","","","0.0623","0.0655","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518219","6.8071","0.0006","21.415","0.002","10.9248","0.001","90","","102.159","0.003","90","","1556.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br2 N2 O2 S2 -","- C34 H30 Br2 N2 O2 S2 -","- C68 H60 Br4 N4 O4 S4 -","2","0.5","","Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd","Electrochemical polymerization of 1,3,4,6-tetraarylpyrrolo[3,2-b]pyrrole-2,5-dione (isoDPP) derivatives","Polym. Chem.","2015","6","6","1005","","10.1039/C4PY01315H","","","0.71073","MoKα","","0.0741","0.0453","","","0.1102","0.1309","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518232","13.07527","0.00008","16.18867","0.0001","19.01027","0.00012","90","","100.1","0.0006","90","","3961.57","0.04","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F6 O4 -","- C48 H30 F6 O4 -","- C192 H120 F24 O16 -","4","0.5","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","1.5418","CuKα","","0.0506","0.0492","","0.0656","0.0647","0.0645","","","","","","0.9834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518233","12.5119","0.0017","12.6648","0.0017","14.9565","0.0019","70.805","0.005","66.621","0.005","67.665","0.005","1967.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H28 Cl2 F6 O2 -","- C47 H28 Cl2 F6 O2 -","- C94 H56 Cl4 F12 O4 -","2","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.1842","0.0672","","","0.1536","0.1983","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518234","12.8182","0.0016","35.815","0.005","9.7626","0.0014","90","","92.841","0.006","90","","4476.3","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H25 Cl3 F12 O2 -","- C49 H25 Cl3 F12 O2 -","- C196 H100 Cl12 F48 O8 -","4","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.2077","0.0829","","","0.1877","0.2414","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518239","19.23","0.002","43.035","0.005","10.2776","0.0012","90","","90","","90","","8505.4","1.7","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H44 Cl6 Fe N4 -","- C42 H44 Cl6 Fe N4 -","- C336 H352 Cl48 Fe8 N32 -","8","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0355","0.0349","","","0.0921","0.0926","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518240","10.777","0.006","19.521","0.011","18.542","0.012","90","","103.339","0.012","90","","3796","4","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Fe N2 Si2 -","- C35 H54 Fe N2 Si2 -","- C140 H216 Fe4 N8 Si8 -","4","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0485","0.0462","","","0.1261","0.1287","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518241","7.6475","0.0008","12.4439","0.0012","15.3186","0.0015","102.743","0.002","95.406","0.002","101.351","0.002","1379.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","neikm03","","","- C6 H18 Cl2 Fe P2 -","- C6 H18 Cl2 Fe P2 -","- C24 H72 Cl8 Fe4 P8 -","4","2","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0563","0.0338","","","0.0767","0.087","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518242","13.919","0.006","19.144","0.009","28.616","0.011","90","","90","","90","","7625","6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H86 Cl6 N6 O8 Rh2 -","- C81 H86 Cl6 N6 O8 Rh2 -","- C324 H344 Cl24 N24 O32 Rh8 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0514","0.0358","","","0.0643","0.0682","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518243","13.1445","0.0005","13.6427","0.0006","22.5166","0.0008","90","","90","","90","","4037.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C156 H160 Cl8 F24 N16 O8 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0349","0.0287","","","0.056","0.0579","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518244","5.4571","0.0002","15.3289","0.0006","17.4084","0.0009","90","","90","","90","","1456.24","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0343","0.0291","","","0.0646","0.0666","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518245","10.1905","0.0005","11.5731","0.0006","17.4203","0.0008","90","","97.5045","0.0016","90","","2036.88","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","w234b","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0498","0.0381","","","0.1004","0.1143","","","","","","1.122","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518246","17.7761","0.0006","22.9437","0.0008","13.1111","0.0004","90","","90","","90","","5347.4","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C204 H208 Cl16 F24 N16 O12 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0422","0.0348","","","0.0849","0.0889","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518247","38.9286","0.0014","13.3583","0.0005","17.0015","0.0007","90","","111.479","0.0012","90","","8227.1","0.5","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl2 Ir N4 O3 -","- C47 H45 Cl1.999 Ir N4 O3 -","- C376 H360 Cl15.992 Ir8 N32 O24 -","8","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0462","0.0296","","","0.0587","0.0636","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518248","14.224","0.003","21.737","0.003","31.247","0.002","90","","90.83","0.01","90","","9660","3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 2","","","- C98 H110 B Cl2 F20 N6 Nb2 -","- C98 H110 B Cl2 F20 N6 Nb2 -","- C392 H440 B4 Cl8 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0658","0.0514","","","0.1321","0.1422","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518249","18.1669","0.0005","17.1279","0.0005","19.7092","0.0005","90","","90.559","0.001","90","","6132.4","0.3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 3","","","- C65 H66 B F20 N3 Nb O2 -","- C65 H66 B F20 N3 Nb O2 -","- C260 H264 B4 F80 N12 Nb4 O8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0458","0.0363","","","0.0946","0.1014","","","","","","1.03","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518250","20.744","0.002","20.888","0.002","22.683","0.003","90","","90.709","0.002","90","","9827.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 4","","","- C95 H110 B Cl9 F20 N6 Nb2 -","- C95 H110 B Cl8 F20 N6 Nb2 -","- C380 H440 B4 Cl32 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0288","0.0257","","","0.062","0.0646","","","","","","1.058","","","","has coordinates,has disorder","209529","2020-10-21","18:00:00",""
"1518251","15.2666","0.0006","16.9177","0.0006","25.577","0.001","90","","97.658","0.002","90","","6547","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","Complex 6","","","- C61 H60 B Cl0 F20 N4 Nb -","- C61 H60 B F20 N4 Nb -","- C244 H240 B4 F80 N16 Nb4 -","4","2","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0569","0.0428","","","0.093","0.1007","","","","","","0.984","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518252","24.287","0.003","8.1945","0.0005","20.396","0.0018","90","","120.269","0.013","90","","3505.8","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B2 Cl6 Fe N8 O6 -","- C24 H28 B2 Cl6 Fe N8 O6 -","- C96 H112 B8 Cl24 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.0735","0.061","","","0.1593","0.1741","","","","","","0.796","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518253","10.435","0.007","12.522","0.006","14.568","0.008","110.05","0.02","98.25","0.03","92.93","0.04","1759.4","1.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H44 B2 Fe N8 O9 -","- C31 H44 B2 Fe N8 O9 -","- C62 H88 B4 Fe2 N16 O18 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.1129","0.0741","","","0.1923","0.2164","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518254","77.1812","0.0001","77.1812","0.0001","77.1812","0.0001","90","","90","","90","","459764","1","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C8640 H10464 B944 F704 Fe384 N3072 O2352 Pd192 -","32","0.333333","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0829","0.081","","","0.2584","0.2646","","","","","","1.3","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518255","24.07","0.005","25.09","0.005","26.26","0.005","111.25","0.03","101.84","0.03","110.6","0.03","12790","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C386 H460 B24 Fe12 N118 O106 Pd6 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0593","0.0557","","","0.16","0.169","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518256","37.76","0.02","37.914","0.015","49.64","0.03","109.87","0.03","111.57","0.04","90.72","0.04","61382","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C1814 H1907 B135 F36 Fe48 N403 O334 Pd24 -","4","2","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.2907","0.167","","","0.3795","0.4645","","","","","","1.394","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1518257","26.3697","0.0006","37.7311","0.0009","41.401","0.0016","113.826","0.003","96.68","0.002","90.021","0.002","37375","2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C700 H800 B48 Fe24 N210 O198 Pd12 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.15","0.1105","","","0.3243","0.3519","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518275","7.0592","0.0002","9.6718","0.0003","18.5618","0.0006","90","","91.179","0.002","90","","1267.04","0.07","228","2","228","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0408","0.0383","","","0.1005","0.1025","","","","","","1.082","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518276","6.7037","0.0001","10.0938","0.0002","9.5452","0.0002","90","","108.132","0.001","90","","613.81","0.02","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0341","0.0324","","","0.0785","0.0796","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518277","7.7539","0.0003","8.4364","0.0003","22.2865","0.0006","90","","90","","90","","1457.87","0.09","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl2 F O4 S -","- C12 H11 Cl2 F O4 S -","- C48 H44 Cl8 F4 O16 S4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0507","0.0417","","","0.0979","0.1036","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518278","11.5572","0.0006","15.5085","0.0008","20.8957","0.001","90","","94.733","0.005","90","","3732.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide","","- C20 H20 N2 O3 S -","- C20 H20 N2 O3 S -","- C160 H160 N16 O24 S8 -","8","1","","Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu","Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles","Chem. Sci.","2015","6","2","1265","","10.1039/C4SC02596B","","","0.71073","MoKα","","0.0562","0.045","","","0.1283","0.1399","","","","","","0.704","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518279","7.58","0.0001","13.2149","0.0001","18.5282","0.0001","90","","90","","90","","1855.95","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido","Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides","Chem. Sci.","2015","6","2","1252","","10.1039/C4SC02612H","","","1.54178","CuKα","","0.0402","0.0354","","","0.0789","0.0822","","","","","","1.095","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518280","7.6482","0.0012","7.4766","0.0011","10.4304","0.0016","90","","102.535","0.006","90","","582.22","0.15","173","2","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-dipropargyloxymethyl-1,4-dioxane-2,5-dione","","- C12 H12 O6 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Zhang, Quanxuan; Ren, Hong; Baker, Gregory L.","Synthesis and click chemistry of a new class of biodegradable polylactide towards tunable thermo-responsive biomaterials.","Polymer chemistry","2015","6","8","1275","1285","10.1039/C4PY01425A","","","1.54178","CuKα","","0.0397","0.0342","","","0.0825","0.0991","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518308","13.811","0.003","18.252","0.004","20.803","0.004","84.81","0.03","82.76","0.03","72.33","0.03","4949","2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H64 F24 N14 P4 Ru2 -","- C90 H64 F24 N14 P4 Ru2 -","- C180 H128 F48 N28 P8 Ru4 -","2","1","","Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian","Tuning of resistive memory switching in electropolymerized metallopolymeric films","Chem. Sci.","2015","6","2","1308","","10.1039/C4SC03345K","","","0.71073","MoKα","","0.1588","0.1354","","","0.3591","0.3829","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518338","27.5079","0.0016","16.0629","0.0009","14.4082","0.001","90","","108.033","0.004","90","","6053.6","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H54 F18 N15 P3 Ru3 S9 -","- C36 H54 F18 N15 P3 Ru3 S9 -","- C144 H216 F72 N60 P12 Ru12 S36 -","4","1","","Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.","Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry","Chem. Sci.","2015","6","2","1334","","10.1039/C4SC02799J","","","0.71073","MoKα","","0.0719","0.0565","","","0.147","0.1629","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518339","7.3807","0.0012","11.755","0.002","15.94","0.003","102.912","0.005","92.025","0.005","100.595","0.005","1320.8","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C60 H48 Au4 N4 O8 -","4","2","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0867","","","","0.2496","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518340","6.0552","0.0005","7.0297","0.0006","15.9689","0.0014","96.315","0.003","93.979","0.003","90.279","0.003","673.93","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C30 H24 Au2 N2 O4 -","2","1","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0542","","","","0.133","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518342","9.7143","0.0001","22.5934","0.0001","12.6641","0.0001","90","","106.703","0.001","90","","2662.23","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dibenzyl-6-(3-(2-bromophenyl)-3-oxo-1-phenylpropyl)piperazine-2,3,5-trione","","- C33 H27 Br N2 O4 -","- C33 H27 Br N2 O4 -","- C132 H108 Br4 N8 O16 -","4","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0187","0.0185","","","0.0475","0.0477","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518343","12.1648","0.0001","12.4912","0.0001","17.107","0.0002","90","","90","","90","","2599.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dibenzyl-6-(3-oxo-1,3-diphenylpropyl)piperazine-2,3,5-trione","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0249","0.0243","","","0.0623","0.0629","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518344","6.25441","0.00012","12.592","0.0002","13.61853","0.00018","100.755","0.0012","92.7028","0.0013","95.0674","0.0014","1047.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","1,4-dibenzyl-6-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)piperazine-2,3,5-trione","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C48 H52 N4 O10 -","2","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0314","0.0302","","","0.0778","0.0785","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518345","12.14306","0.00017","6.28576","0.00007","13.0165","0.0002","90","","108.566","0.0017","90","","941.82","0.02","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0304","0.0281","","","0.069","0.0706","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518346","12.2545","0.0003","11.5949","0.0003","9.7196","0.0002","90","","90","","90","","1381.06","0.06","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 Cr2 O8 P2 -","- C8 H4 Cr2 O8 P2 -","- C32 H16 Cr8 O32 P8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54178","CuKα","","0.025","0.0233","","","0.0645","0.0654","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518347","12.4977","0.0012","12.0462","0.0014","10.1185","0.0009","90","","90","","90","","1523.3","0.3","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 O8 P2 W2 -","- C8 H4 O8 P2 W2 -","- C32 H16 O32 P8 W8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.0275","0.0229","","","0.0541","0.0558","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518348","6.9134","0.0009","7.3239","0.001","8.761","0.001","111.796","0.012","92.15","0.01","115.204","0.014","362.43","0.11","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54184","CuKα","","0.0436","0.0386","","","0.1004","0.1036","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518352","11.70071","0.00013","11.70071","0.00013","11.70071","0.00013","90","","90","","90","","1601.9","0.03","120.05","0.1","120.05","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0311","0.029","","","0.0697","0.0723","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518353","11.74713","0.00009","11.74713","0.00009","11.74713","0.00009","90","","90","","90","","1621.05","0.02","302.5","0.7","302.5","0.7","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0299","0.0298","","","0.0748","0.0748","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518354","11.78842","0.00018","11.78842","0.00018","11.78842","0.00018","90","","90","","90","","1638.2","0.04","400","0.14","400","0.14","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0746","0.0739","","","0.1765","0.1774","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518355","13.6052","0.0006","19.6523","0.0009","14.3113","0.0007","90","","105.559","0.0005","90","","3686.2","0.3","88","2","88","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H44 K N2 O13 Rh -","- C32 H44 K N2 O13 Rh -","- C128 H176 K4 N8 O52 Rh4 -","4","1","","Murphy, Stephen K.; Bruch, Achim; Dong, Vy M.","Mechanistic insights into hydroacylation with non-chelating aldehydes","Chemical Science","2015","6","1","174","180","10.1039/c4sc02026j","","","0.71073","MoKα","","0.0267","0.0258","","","0.065","0.0658","","","","","","1.067","","","","has coordinates,has disorder","274636","2022-04-22","15:52:32",""
"1518358","9.5147","0.001","8.7236","0.0009","12.2763","0.0013","90","","96.21","0.002","90","","1012.98","0.18","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Pd -","- C18 H32 N4 Pd -","- C36 H64 N8 Pd2 -","2","0.5","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0254","0.0211","","","0.0569","0.0598","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518359","9.5437","0.0006","12.6519","0.0008","14.7569","0.001","81.229","0.002","83.044","0.002","81.137","0.002","1731.26","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cl4 N6 Pd -","- C28 H50 Cl4 N6 Pd -","- C56 H100 Cl8 N12 Pd2 -","2","1","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0444","0.034","","","0.0732","0.0777","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518360","11.649","0.003","18.299","0.005","18.362","0.005","60.833","0.005","80.132","0.006","86.221","0.006","3366.6","1.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","ksk1621","","- C145 H149 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","1","0.5","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1782","0.1032","","","0.2453","0.2723","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518361","12.5824","0.001","16.3849","0.0012","18.0859","0.0011","89.08","0.003","89.123","0.003","70.854","0.002","3521.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","ksk1761","","- C74 H78 Cl6 Cs F N4 O8 -","- C74 H77 Cl6 Cs F N4 O8 -","- C148 H154 Cl12 Cs2 F2 N8 O16 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.0849","0.062","","","0.1307","0.1394","","","","","","1.258","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518362","16.284","0.003","21.681","0.004","24.254","0.005","65.823","0.004","87.933","0.005","77.172","0.005","7602","3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","ksk1622","","- C82 H92 N4 O12 -","- C80 H88 N4 O11 -","- C320 H352 N16 O44 -","4","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1204","0.0919","","","0.2481","0.2613","","","","","","1.189","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518363","18.865","0.003","17.828","0.003","20.315","0.004","90","","107.064","0.003","90","","6532","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ksk1635","","- C75 H71 Cl3 N4 O12 -","- C74.34 H74 Cl3 N4 O7.67 -","- C297.36 H296 Cl12 N16 O30.68 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.0909","0.0702","","","0.1924","0.2184","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518364","18.1082","0.0015","20.262","0.002","21.408","0.003","90","","105.284","0.003","90","","7577","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ksk1615","","- C81 H94 Cl6 F N5 O6 -","- C79.5 H91 Cl3 F N5 O6 -","- C318 H364 Cl12 F4 N20 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1056","0.0738","","","0.1694","0.1789","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518365","19.8344","0.0003","17.7442","0.0003","20.5845","0.0004","90","","109.128","0.002","90","","6844.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ksk1917","","- C78 H81 N7 O6 -","- C78 H80.32 N7 O6 -","- C312 H321.28 N28 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.102","0.0773","","","0.2082","0.2297","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518366","28.4416","0.0013","17.3237","0.0008","28.5922","0.0014","90","","90.135","0.003","90","","14087.7","1.1","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","ksk1818","","- C74 H77 Cl4 Cs N4 O7 -","- C72.5 H73.5 Cl Cs N4 O7 -","- C580 H588 Cl8 Cs8 N32 O56 -","8","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.3235","0.1786","","","0.3976","0.4448","","","","","","1.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518367","17.1643","0.0012","20.272","0.0015","20.1109","0.0015","90","","99.129","0.002","90","","6909","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","ksk1823","","- C74 H77 Cl3 Cs F N4 O7 -","- C73 H75.12 Cs F N4 O7 -","- C292 H300.48 Cs4 F4 N16 O28 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.1028","0.074","","","0.1865","0.2053","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518368","17.7069","0.0004","19.2391","0.0003","27.8205","0.0006","71.903","0.002","75.381","0.002","69.249","0.002","8315.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","ksk1928","","- C163 H193 Cl6 F2 N10 O15 -","- C161 H173.53 Cl2 F2 N10 O14.53 -","- C322 H347.06 Cl4 F4 N20 O29.06 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.1159","0.0914","","","0.2854","0.3199","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518371","33.067","0.004","14.8252","0.0015","17.1809","0.0012","90","","121.19","0.01","90","","7205.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H4BINDI","H4BINDI","","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","1","0.125","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.7107","MoKα","","0.1476","0.1154","","","0.3613","0.3847","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518372","34.3413","0.0018","10.0447","0.0007","17.7382","0.0017","90","","96.234","0.006","90","","6082.6","0.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Mg-NDI","Mg-NDI","","- C69 H35 Mg4 N7 O30 -","- C69 H35 Mg4 N7 O30 -","- C138 H70 Mg8 N14 O60 -","2","0.5","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.71073","MoKα","","0.1637","0.1057","","","0.2679","0.2975","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518407","9.827","0.0006","16.9659","0.0008","21.6298","0.0013","69.273","0.005","81.505","0.005","87.976","0.005","3335.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H86 N6 O3 -","- C73 H82 N6 O2 -","- C146 H164 N12 O4 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","x-ray","0.6889","Synchrotron","","0.1002","0.0756","","","0.1865","0.2097","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518408","15.4721","0.0005","16.3717","0.0005","19.0278","0.0006","92.068","0.002","110.731","0.003","99.28","0.003","4426","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H92 Cl18 N6 O3 -","- C83 H89 Cl9 N6 O3 -","- C166 H178 Cl18 N12 O6 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","","1.54184","CuKα","","0.1406","0.122","","","0.3579","0.3846","","","","","","1.579","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518409","5.9763","0.0005","11.5786","0.0008","29.273","0.003","90","","90","","90","","2025.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","TPP","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.0528","0.0392","","","0.0894","0.0976","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518410","10.6571","0.0009","11.1264","0.0009","13.1685","0.0009","88","0.006","76.566","0.007","74.575","0.007","1463.4","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","TPP-2P","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1821","0.0694","","","0.1548","0.2161","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518411","11.1806","0.0008","11.4458","0.0007","12.861","0.0009","101.527","0.006","91.283","0.006","99.274","0.006","1589.02","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","TPP-2PM","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1027","0.0565","","","0.1377","0.1674","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518412","9.768","0.0011","12.3063","0.0014","12.4687","0.0014","68.542","0.011","70.492","0.01","88.089","0.009","1308.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TPP-4M","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1215","0.0894","","","0.2711","0.2907","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518432","10.336","0.002","14.852","0.003","4.924","0.001","90","","90","","90","","755.9","0.3","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0718","0.0642","","","0.1304","0.1331","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518433","10.26","0.002","14.837","0.003","4.8169","0.001","90","","90","","90","","733.3","0.3","295","2","295","2","","","880000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0571","0.0477","","","0.0928","0.0957","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518434","10.22","0.002","14.832","0.003","4.7689","0.001","90","","90","","90","","722.9","0.3","295","2","295","2","","","1120000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0728","0.0626","","","0.145","0.1538","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518435","10.218","0.002","14.823","0.003","4.7439","0.0009","90","","90","","90","","718.5","0.2","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0694","0.0616","","","0.1305","0.1346","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518436","10.181","0.002","14.808","0.003","4.693","0.0009","90","","90","","90","","707.5","0.2","295","2","295","2","","","1800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0689","0.0612","","","0.1396","0.1428","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518437","10.11","0.002","14.808","0.003","4.5801","0.0009","90","","90","","90","","685.7","0.2","295","2","295","2","","","2600000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0595","0.0393","","","0.0688","0.072","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518438","10.06","0.002","14.798","0.003","4.537","0.0009","90","","90","","90","","675.4","0.2","295","2","295","2","","","3210000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0758","0.0541","","","0.099","0.1026","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518439","10.05","0.002","14.807","0.003","4.4206","0.0009","90","","90","","90","","657.8","0.2","295","2","295","2","","","4000000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0761","0.0543","","","0.1016","0.1075","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518440","10.04","0.002","14.796","0.003","4.3879","0.0009","90","","90","","90","","651.8","0.2","295","2","295","2","","","4200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0548","0.0389","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518441","10.056","0.002","14.779","0.003","4.275","0.0009","90","","90","","90","","635.3","0.2","295","2","295","2","","","5150000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0843","0.0576","","","0.1034","0.1107","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518442","10.059","0.002","14.776","0.003","4.261","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5230000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0826","0.0614","","","0.1223","0.1314","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518443","10.063","0.002","14.787","0.003","4.256","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5330000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0866","0.0561","","","0.0949","0.104","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518444","9.714","0.011","14.99","0.02","4.262","0.019","90","","90","","90","","621","3","295","2","295","2","","","5540000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0887","0.0674","","","0.1408","0.1489","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518445","9.73","0.0019","14.987","0.003","4.234","0.0008","90","","90","","90","","617.4","0.2","295","2","295","2","","","5800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0709","0.0538","","","0.0989","0.1032","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518446","9.694","0.0019","14.931","0.003","4.2234","0.0008","90","","90","","90","","611.3","0.2","295","2","295","2","","","6200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0615","0.0523","","","0.1001","0.1023","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518447","9.9998","0.0006","20.6538","0.0012","31.3512","0.0018","90","","90","","90","","6475.1","0.7","15","2","15","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C67 F6 -","- C67 F6 -","- C536 F48 -","8","1","","San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.","A faux hawk fullerene with PCBM-like properties","Chem. Sci.","2015","6","3","1801","","10.1039/C4SC02970D","","","0.41328","synchrotron","","0.0865","0.0732","","","0.1576","0.1633","","","","","","1.215","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518448","14.166","0.007","13.519","0.007","25.901","0.013","90","","90","","90","","4960","4","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","bis(m6-h1:h5:h6:h6:h6:h6-Corannulene)- -(tetrahydrofuran-O,O)-bis(tetrahydrofuran-O,O,O)- -tetra-lithium-tetra-rubidium","","- C60 H60 Li4 O5 Rb4 -","- C60 H60 Li4 O5 Rb4 -","- C240 H240 Li16 O20 Rb16 -","4","0.25","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1516","0.0846","","","0.1934","0.2331","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518449","10.064","0.003","15.27","0.004","22.129","0.006","90.416","0.003","93.102","0.003","94.532","0.004","3384.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(m6-h5:h6:h6:h6:h6:h6-Corannulene)- -bis(diglyme)-bis(diglyme)- -tetra-lithium-tetra-rubidium- tetrahydrofuran solvate","","- C66 H80 Li3 O12.5 Rb5 -","- C66 H80 Li3 O12.5 Rb5 -","- C132 H160 Li6 O25 Rb10 -","2","1","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li–Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1703","0.0977","","","0.215","0.2399","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518450","23.1686","0.0013","9.677","0.0006","16.8001","0.001","90","","118.272","0.0016","90","","3317.3","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 N4 O19 Tm -","- C28 H46 N4 O19 Tm -","- C112 H184 N16 O76 Tm4 -","4","1","","Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David","Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes","Chem. Sci.","2015","6","3","1655","","10.1039/C4SC03429E","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1094","0.1175","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518452","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H.","Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1537","1547","10.1039/C4SC02402H","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518469","8.5794","0.0004","13.7444","0.001","13.7913","0.001","110.805","0.002","93.371","0.004","101.13","0.004","1477.17","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H10 Au B Cl10 N6 Pb -","- C21 H10 Au B Cl10 N6 Pb -","- C42 H20 Au2 B2 Cl20 N12 Pb2 -","2","1","","Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena","The gold(i)⋯lead(ii) interaction: a relativistic connection","Chem. Sci.","2015","6","3","2022","","10.1039/C4SC03680H","","","0.71073","MoKα","","0.0714","0.0371","","","0.0628","0.0707","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518476","9.539","0.002","10.408","0.002","11.253","0.003","115.767","0.003","97.422","0.003","91.945","0.003","992.6","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 F6 O6 Pd Sb -","- C14 H23 F6 O6 Pd Sb -","- C28 H46 F12 O12 Pd2 Sb2 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0934","0.053","","","0.0716","0.0799","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518477","18.89","0.005","16.805","0.004","13.196","0.003","90","","90","","90","","4189","1.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H22 F6 N O6 Pd Sb -","- C15 H22 F6 N O6 Pd Sb -","- C120 H176 F48 N8 O48 Pd8 Sb8 -","8","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0368","0.0293","","","0.0711","0.0768","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518478","16.758","0.003","16.947","0.004","9.5046","0.0019","90","","90","","90","","2699.3","1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 F6 O6 Pd Sb -","- C22 H35 F6 O6 Pd Sb -","- C88 H140 F24 O24 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification–insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0404","0.033","","","0.062","0.067","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518479","10.0271","0.0007","19.0026","0.0014","14.5138","0.001","90","","92.747","0.001","90","","2762.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 F6 N3 O10 Pd Sb -","- C17 H28 F6 N3 O10 Pd Sb -","- C68 H112 F24 N12 O40 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.03","0.0269","","","0.0677","0.0696","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518480","16.4284","0.0014","19.3745","0.0017","21.4447","0.0019","66.181","0.002","88.434","0.002","72.775","0.002","5930.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H86 Cl20 F24 O16 Pd4 Sb4 -","- C64 H84 Cl16 F24 O16 Pd4 Sb4 -","- C128 H168 Cl32 F48 O32 Pd8 Sb8 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0963","0.056","","","0.1355","0.1494","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518496","8.4386","0.0001","13.7676","0.0001","16.0276","0.0001","90","","100.27","0.001","90","","1832.24","0.03","123","2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 As4 Co2 -","- C34 H58 As4 Co2 -","- C68 H116 As8 Co4 -","2","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0915","0.0926","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518497","17.893","0.001","19.9249","0.0011","11.6299","0.0005","90","","107.903","0.005","90","","3945.5","0.4","123","2","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 As4 Cl2 Co2 -","- C35 H60 As4 Cl2 Co2 -","- C140 H240 As16 Cl8 Co8 -","4","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.049","0.0387","","","0.0948","0.0998","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518498","10.3921","0.0005","14.3707","0.0007","14.8262","0.0008","62.53","0.005","76.535","0.004","79.819","0.004","1904.35","0.19","123","2","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 As10 Co4 -","- C68 As10 Co4 -","- C68 As10 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0877","0.0796","","","0.2268","0.2345","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518499","13.7956","0.0008","14.0892","0.0008","15.0382","0.001","62.971","0.006","69.895","0.006","61.292","0.006","2254","0.3","123","2","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54184","CuKα","","0.1088","0.0787","","","0.1658","0.177","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518500","28.9202","0.0003","15.7899","0.0001","29.9375","0.0003","90","","112.752","0.001","90","","12607.1","0.2","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H87 As12 Co3 -","- C51 H87 As12 Co3 -","- C408 H696 As96 Co24 -","8","1","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0363","0.0271","","","0.0555","0.0589","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518501","23.3","0.002","7.0807","0.0007","11.6415","0.0013","90","","90","","90","","1920.6","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","[Se(IAd)]","","- C23 H32 N2 Se -","- C23 H32 N2 Se -","- C92 H128 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0257","0.0238","","","0.0562","0.0568","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518502","11.8147","0.0015","11.1443","0.0013","12.2088","0.0014","90","","108.21","0.003","90","","1527","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(ICy)]","","- C15 H24 N2 Se -","- C15 H24 N2 Se -","- C60 H96 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0393","0.033","","","0.0962","0.0998","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518503","14.4058","0.0013","7.4133","0.0007","25.023","0.003","90","","97.856","0.003","90","","2647.2","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Se(IDD)]","","- C27 H48 N2 Se -","- C27 H48 N2 Se -","- C108 H192 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0841","0.0704","","","0.2078","0.2216","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518504","8.3318","0.0011","7.4265","0.0009","13.6459","0.0019","90","","98.798","0.003","90","","834.42","0.19","173","","173","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","[Se(IMe)]","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C38 H40 N4 Se2 -","2","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0308","0.0277","","","0.0718","0.0736","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518505","16.043","0.002","7.3937","0.0009","16.055","0.002","90","","90","","90","","1904.4","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(IMes)]","","- C21 H24 N2 Se -","- C21 H24 N2 Se -","- C84 H96 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0791","0.0686","","","0.1823","0.1917","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518506","20.433","0.002","7.6327","0.0006","21.563","0.002","90","","106.66","0.003","90","","3221.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(IPent)]","","- C35 H52 N2 Se -","- C35 H52 N2 Se -","- C140 H208 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0608","0.0448","","","0.106","0.1139","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518507","17.366","0.003","9.4565","0.0013","21.295","0.003","90","","109.08","0.003","90","","3305","0.9","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Se(IPrCl)]","","- C27 H34 Cl2 N2 Se -","- C27 H34 Cl2 N2 Se -","- C108 H136 Cl8 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0662","0.0612","","","0.224","0.2293","","","","","","1.208","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518508","15.9194","0.0019","7.4418","0.0007","16.1915","0.0019","90","","90","","90","","1918.2","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(SIMes)]","","- C21 H26 N2 Se -","- C21 H26 N2 Se -","- C84 H104 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0295","0.0239","","","0.0688","0.0715","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518509","9.3746","0.0016","15.527","0.003","8.3524","0.0014","90","","90.357","0.005","90","","1215.7","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Se(Tr2)]","","- C11 H6 F5 N3 Se -","- C11 H6 F5 N3 Se -","- C44 H24 F20 N12 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0679","0.048","","","0.1104","0.1182","","","","","","0.958","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518510","7.8283","0.0013","7.9731","0.0014","18.447","0.003","97.93","0.006","94.637","0.005","90.042","0.005","1136.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr3)]","","- C11 H11 N3 O Se -","- C11 H11 N3 O Se -","- C44 H44 N12 O4 Se4 -","4","2","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.1583","0.1235","","","0.3333","0.3513","","","","","","1.165","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518511","8.5326","0.0019","10.637","0.003","11.589","0.003","107.558","0.004","101.546","0.004","107.498","0.003","906.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr4)]","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C42 H42 N6 O2 Se2 -","2","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0265","0.0241","","","0.0542","0.0546","","","","","","0.985","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518512","13.2692","0.0012","19.8926","0.0016","20.979","0.0019","90","","90","","90","","5537.6","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Se(Tr5)]","","- C30 H35 N3 O Se Si -","- C30 H35 N3 O Se Si -","- C240 H280 N24 O8 Se8 Si8 -","8","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0325","0.0248","","","0.0584","0.0616","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518526","4.00444","0.00019","11.1381","0.0006","12.202","0.0007","71.955","0.005","89.514","0.004","80.992","0.004","510.62","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(p-tolyl)acrylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","0.71073","MoKα","","0.0507","0.0412","","","0.1083","0.1126","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518527","14.93217","0.00016","14.22602","0.00015","15.93712","0.00017","90","","100.89","0.001","90","","3324.49","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O4 -","- C38 H48 N2 O4 -","- C152 H192 N8 O16 -","4","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0382","0.0335","","","0.0893","0.0935","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518528","8.5558","0.0005","11.887","0.0004","17.0071","0.0008","99.115","0.003","92.129","0.004","94.397","0.004","1700.67","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O4 Si4 -","- C30 H40 N2 O4 Si4 -","- C60 H80 N4 O8 Si8 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0889","0.0629","","","0.1706","0.1941","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518529","8.6514","0.0002","11.8373","0.0004","20.4256","0.0006","82.751","0.003","87.339","0.002","86.175","0.002","2068.9","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N2 O4 Si6 -","- C34 H52 N2 O4 Si6 -","- C68 H104 N4 O8 Si12 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0838","0.0643","","","0.1681","0.1887","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518530","18.9073","0.0016","20.7452","0.0006","21.091","0.002","67.38","0.02","77.21","0.02","65.257","0.013","6917.2","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C152.05 H75.74 Cl2.21 F40 N12 S8 -","- C152.047 H75.7412 Cl2.208 F40 N12 S8 -","- C304.094 H151.482 Cl4.416 F80 N24 S16 -","2","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0686","0.0639","","","0.1763","0.1805","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518531","49.998","0.016","12.402","0.003","35.242","0.011","90","","131.613","0.005","90","","16338","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87.05 H40.13 Cl3.96 F20 N6 S6 -","- C87.041 H40.096 Cl3.968 F20 N6 S6 -","- C696.328 H320.768 Cl31.744 F160 N48 S48 -","8","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0881","0.085","","","0.2267","0.2299","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518532","17.2734","0.0008","18.9028","0.0005","30.1289","0.0017","105","0.014","92.92","0.02","107.23","0.03","8989","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C95.3 H48 Cl2.3 F20 N6 O0.5 S8 -","- C95.3065 H48 Cl2.2995 F20 N6 O0.5 S8 -","- C381.226 H192 Cl9.198 F80 N24 O2 S32 -","4","2","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.1245","0.1104","","","0.3444","0.375","","","","","","1.073","","","","has coordinates,has disorder","278158","2022-09-26","15:28:11",""
"1518536","32.403","0.008","6.8959","0.0017","15.25","0.004","90","","97.03","0.004","90","","3382","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 F6 N O3 -","- C18 H11 F6 N O3 -","- C144 H88 F48 N8 O24 -","8","1","","Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan","Rh(iii)-catalyzed C–H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant","Chem. Sci.","2015","6","3","1923","","10.1039/C4SC03350G","","","0.71073","MoKα","","0.0717","0.0568","","","0.152","0.1668","","","","","","1.16","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518540","7.8956","0.0004","9.6557","0.0003","14.916","0.0006","77.311","0.003","81.835","0.004","86.214","0.003","1097.43","0.08","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N2 O8 S2 -","- C18 H33 N2 O8 S2 -","- C36 H66 N4 O16 S4 -","2","1","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0528","0.0433","","0.0511","0.0461","0.0461","","","","","","1.0815","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518541","19.4827","0.0005","7.7013","0.0002","30.1416","0.0007","90","","101.758","0.002","90","","4427.61","0.19","175","","175","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","- C144 H264 N16 O64 S16 -","4","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0885","0.0746","","0.083","0.0767","0.0767","","","","","","1.0486","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518542","9.7673","0.0003","9.8143","0.0003","10.2046","0.0004","94.88","0.003","96.822","0.003","95.184","0.003","962.76","0.06","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C28.7552 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","1","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0675","0.0586","","0.0698","0.0649","0.0649","","","","","","0.9213","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518543","9.9404","0.0003","15.744","0.0004","17.7587","0.0004","90","","100.059","0.001","90","","2736.54","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C116 H152 Mo4 O20 -","2","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0719","0.0506","","","0.1186","0.1319","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518544","9.8343","0.0002","11.252","0.0002","15.714","0.0003","107","0.001","105.165","0.001","90.114","0.001","1599.14","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","1","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0496","0.0378","","","0.0978","0.1038","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518545","11.8282","0.0014","12.449","0.0015","13.6005","0.0016","90","","90","","90","","2002.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 Cl Mo P3 -","- C14 H34 Cl Mo P3 -","- C56 H136 Cl4 Mo4 P12 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds","Chem. Sci.","2015","6","3","1859","","10.1039/C4SC03128H","","","0.71073","MoKα","","0.0926","0.055","","","0.0949","0.1069","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518548","14.6741","0.0009","15.8676","0.001","24.1918","0.0015","91.946","0.002","106.327","0.002","115.228","0.002","4812.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 -","- C44.7095 H22.262 Cl4 F14 N6 Na2 O7.218 -","- C178.838 H89.048 Cl16 F56 N24 Na8 O28.872 -","4","2","","Seifert, Sabine; Schmidt, David; Würthner, Frank","An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis","Chem. Sci.","2015","6","3","1663","","10.1039/C4SC03671A","","","1.54178","CuKα","","0.058","0.0485","","","0.1285","0.137","","","","","","1.016","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1518549","6.0103","0.0004","8.0802","0.0006","22.1231","0.0014","94.344","0.007","93.489","0.006","111.753","0.005","990.42","0.12","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki","Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl–aromatic π-stacked structure","Polym. Chem.","2015","6","11","1932","","10.1039/C4PY01711K","","","1.54187","CuKα","","","0.1069","","","","0.3079","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518550","9.6559","0.0003","9.9869","0.0003","18.8822","0.0005","84.288","0.006","81.394","0.006","73.131","0.005","1719.86","0.1","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki","Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl–aromatic π-stacked structure","Polym. Chem.","2015","6","11","1932","","10.1039/C4PY01711K","","","1.54187","CuKα","","","0.0522","","","","0.1585","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518587","18.6991","0.0013","16.4217","0.001","21.8753","0.0015","90","","90","","90","","6717.3","0.8","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C224 H368 Cl8 Co8 I8 N16 P16 Ti8 -","4","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0369","0.0246","","0.0573","0.0524","0.0573","","","","","","0.9674","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518588","9.0138","0.0007","18.8395","0.0013","21.5085","0.0016","90","","90.54","0.004","90","","3652.3","0.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Cl Co N2 P3 Ti -","- C31 H55 Cl Co N2 P3 Ti -","- C124 H220 Cl4 Co4 N8 P12 Ti4 -","4","1","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0835","0.0584","","0.182","0.1454","0.182","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518589","12.5912","0.0005","13.4571","0.0005","13.5956","0.0005","110.682","0.0017","94.623","0.002","117.15","0.0016","1835.07","0.13","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","1","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.042","0.0327","","0.089","0.0833","0.089","","","","","","0.9919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518590","3.5452","0.0004","14.0087","0.0015","14.249","0.0015","109.292","0.003","91.673","0.003","91.322","0.002","667.23","0.13","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","Au_B","","","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","0.71073","MoKα","","0.059","0.0473","","","0.1055","0.1165","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518591","3.5707","0.0003","10.3087","0.001","14.2742","0.0011","107.689","0.004","92.505","0.005","100.205","0.005","489.99","0.07","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","Au_G","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","1.54186","CuKα","","0.1134","0.1008","","","0.2546","0.2713","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518592","7.79058","0.00018","18.7202","0.0005","6.74157","0.00017","90","","103.167","0.0033","90","","957.35","0.04","293","","293","","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","Au_Y","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C36 H8 Au4 F16 N8 -","2","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.02738","","3.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518593","10.264","0.005","16.311","0.005","19.425","0.005","103.753","0.005","105.008","0.005","93.129","0.005","3027.6","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H51 Ir P2 -","- C30 H51 Ir P2 -","- C120 H204 Ir4 P8 -","4","2","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71069","MoKα","","0.0518","0.035","","","0.0824","0.0915","","","","","","1.222","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518594","17.003","0.0005","20.0591","0.0005","9.4403","0.0003","90","","102.986","0.003","90","","3137.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Ir O P2 -","- C31 H54 Ir O P2 -","- C124 H216 Ir4 O4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","","","0.1124","0.0572","","","0.0981","0.1144","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518595","11.4108","0.001","13.6574","0.0012","17.7933","0.0015","90","","104.097","0.008","90","","2689.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl Ir P2 -","- C24 H46 Cl Ir P2 -","- C96 H184 Cl4 Ir4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","MoKα","","0.0336","0.026","","","0.0694","0.0788","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518596","9.2062","0.0007","16.7452","0.0012","17.6319","0.0014","90","","101.286","0.003","90","","2665.6","0.4","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 F4 P2 -","- C34 H26 F4 P2 -","- C136 H104 F16 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1251","0.0602","","","0.1335","0.1615","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518597","21.0973","0.0018","8.3882","0.0007","6.3567","0.0005","90","","102.383","0.003","90","","1098.76","0.16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H22 F4 P2 -","- C25 H22 F4 P2 -","- C50 H44 F8 P4 -","2","0.5","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0318","0.0277","","","0.0639","0.066","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518598","8.4256","0.0012","21.123","0.003","13.804","0.002","90","","95.055","0.007","90","","2447.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H26 B F21 P2 -","- C58 H26 B F21 P2 -","- C116 H52 B2 F42 P4 -","2","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1033","0.048","","","0.0713","0.0852","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518599","18.8002","0.0009","17.1372","0.001","17.8001","0.0009","90","","102.564","0.002","90","","5597.6","0.5","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59.25 H28.5 B Cl2.5 F23 P2 -","- C58 H26 B F23 P2 -","- C232 H104 B4 F92 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0762","0.0458","","","0.1071","0.117","","","","","","0.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518604","11.9997","0.0004","12.0093","0.0004","16.8043","0.0005","90","","90","","90","","2421.63","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 Si -","- C23 H38 N2 O2 Si -","- C92 H152 N8 O8 Si4 -","4","1","","Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P.","Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2196","2201","10.1039/C4SC03991B","","","0.71073","MoKα","","0.0358","0.0339","","","0.108","0.1087","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518605","11.2159","0.0007","12.555","0.0008","18.1382","0.0012","70.206","0.003","85.323","0.003","67.45","0.002","2216.1","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","1","0.5","","Griepenburg, J. C.; Rapp, T. L.; Carroll, P. J.; Eberwine, J.; Dmochowski, I. J.","Ruthenium-Caged Antisense Morpholinos for Regulating Gene Expression in Zebrafish Embryos.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2342","2346","10.1039/C4SC03990D","","","0.71073","MoKα","","0.0292","0.0266","","","0.063","0.0655","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518609","19.6176","0.0012","7.5992","0.0005","25.2231","0.0015","90","","93.7263","0.0019","90","","3752.3","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 F6 N3 P S2 Se4 -","- C35 H28 F6 N3 P S2 Se4 -","- C140 H112 F24 N12 P4 S8 Se16 -","4","1","","Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R.","Extreme red shifted SERS nanotags","Chem. Sci.","2015","6","4","2302","","10.1039/C4SC03917C","","x-ray","0.71073","MoKα","","0.0911","0.0513","","","0.0967","0.1075","","","","","","1.087","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518610","9.6321","0.0001","11.0943","0.0001","14.7022","0.0001","67.862","0.001","79.883","0.001","69.219","0.001","1359","0.02","223","2","223","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C–H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0397","0.038","","","0.1009","0.1029","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518611","19.1157","0.0009","5.7556","0.0003","29.6669","0.0011","90","","108.002","0.003","90","","3104.2","0.3","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C–H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0792","0.0497","","","0.1229","0.1448","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518661","20.159","0.002","5.0166","0.0005","25.728","0.003","90","","109.164","0.004","90","","2457.7","0.5","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 S4 -","- C64 H48 S4 -","- C128 H96 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0948","0.0572","","","0.1149","0.1318","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518662","20.1","0.002","5.1652","0.0004","25.159","0.003","90","","109.501","0.006","90","","2462.2","0.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 S4 -","- C65 H50 S4 -","- C130 H100 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.71075","MoKα","","0.0457","0.0415","","","0.1033","0.106","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518663","7.6706","0.0011","17.4871","0.0015","20.506","0.003","90","","100.272","0.005","90","","2706.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Cl2 S4 -","- C68 H56 Cl2 S4 -","- C136 H112 Cl4 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0407","0.0376","","","0.1141","0.1202","","","","","","1.116","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518664","21.43","0.005","5.2798","0.0012","24.95","0.006","90","","111.599","0.005","90","","2624.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.1559","0.0801","","","0.2251","0.2686","","","","","","0.887","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518665","20.0834","0.0007","5.2324","0.0002","24.6005","0.0008","90","","109.019","0.0015","90","","2444.01","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.0821","0.0635","","","0.1681","0.1873","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518666","14.5029","0.0006","8.9034","0.0004","14.9927","0.0006","90","","97.26","0.001","90","","1920.41","0.14","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(dmpe)SbF][OTf]2","","- C8 H16 F7 O6 P2 S2 Sb -","- C8 H16 F7 O6 P2 S2 Sb -","- C32 H64 F28 O24 P8 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0269","0.0214","","","0.0473","0.049","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518667","11.4789","0.0003","11.9874","0.0003","26.0864","0.0007","91.82","0.001","97.564","0.001","112.074","0.001","3284.57","0.15","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","[(Me3P)3(nacnac)Sb4][OTf]3","","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C86 H142 F18 N6 O18 P6 S6 Sb8 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0565","0.0405","","","0.1047","0.1174","","","","","","1.173","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518668","23.986","0.016","21.83","0.014","22.193","0.015","90","","106.57","0.014","90","","11138","13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(Et3P)4Sb4][OTf]4","","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C232 H492 F96 N4 O96 P32 S32 Sb32 -","8","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine–antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0626","0.056","","","0.1447","0.1485","","","","","","1.225","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518669","12.3127","0.0004","17.4575","0.0006","17.0214","0.0006","90","","91.03","0.002","90","","3658.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(nacnac)Sb(OTf)2","","- C31 H41 F6 N2 O6 S2 Sb -","- C31 H41 F6 N2 O6 S2 Sb -","- C124 H164 F24 N8 O24 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0362","0.0271","","","0.0635","0.0684","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518670","10.2147","0.0007","8.6511","0.0006","11.0323","0.0007","90","","94.5503","0.0008","90","","971.83","0.11","173","2","173.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[FPMe3][OTf]","","- C4 H9 F4 O3 P S -","- C4 H9 F4 O3 P S -","- C16 H36 F16 O12 P4 S4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine–antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0869","0.0888","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518671","13.4271","0.0009","11.8532","0.0008","15.7504","0.0011","90","","110.993","0.001","90","","2340.4","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Et3PPEt3][OTf]2","","- C14 H30 F6 O6 P2 S2 -","- C14 H30 F6 O6 P2 S2 -","- C56 H120 F24 O24 P8 S8 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0538","0.0372","","","0.0875","0.0961","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518672","11.1445","0.0001","12.0548","0.0001","14.8726","0.0002","67.197","0.006","84.942","0.006","67.025","0.006","1691.09","0.12","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C54 H48 Cl10 F12 N10 O2 P4 Ru2 -","2","1","","Walden, Andrew G.; Miller, Alexander J. M.","Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide","Chem. Sci.","2015","6","4","2405","","10.1039/C5SC00032G","","","1.54178","CuKα","","0.0458","0.0383","","","0.0898","0.094","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518676","7.8451","0.0006","10.8055","0.001","41.681","0.003","90","","92.188","0.005","90","","3530.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C136 H200 N8 O16 Si8 -","8","2","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.1392","0.1006","","","0.2419","0.2672","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518677","9.4678","0.0014","22.465","0.003","8.4857","0.0014","90","","94.892","0.015","90","","1798.3","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O S -","- C19 H19 Cl2 N O S -","- C76 H76 Cl8 N4 O4 S4 -","4","1","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C–H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.0797","0.0646","","","0.1837","0.1993","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518680","9.5684","0.0003","16.352","0.0005","13.9609","0.0004","90","","95.255","0.003","90","","2175.18","0.11","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(o-Cy2PC6H4SO3)Ni(allyl)] (1c)","","- C21 H31 Ni O3 P S -","- C21 H31 Ni O3 P S -","- C84 H124 Ni4 O12 P4 S4 -","4","1","","Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle","Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts","Polym. Chem.","2015","6","14","2669","","10.1039/C5PY00010F","","","0.71073","MoKα","","0.0418","0.0332","","","0.0814","0.0859","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518681","24.5629","0.0003","15.6599","0.0002","11.5597","0.0001","90","","90","","90","","4446.47","0.09","291","2","291","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[(o-Cy2-PC6H4SO3B(C6F5)3)Ni(allyl)]","","- C46 H39 B F15 Ni O3 P S -","- C46 H39 B F15 Ni O3 P S -","- C184 H156 B4 F60 Ni4 O12 P4 S4 -","4","1","","Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle","Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts","Polym. Chem.","2015","6","14","2669","","10.1039/C5PY00010F","","","1.54184","CuKα","","0.0355","0.0332","","","0.0906","0.0937","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518714","6.9163","0.0014","23.66","0.004","11.8396","0.0019","90","","97.078","0.009","90","","1922.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-benzylammonium)ruthenium(II)","","- C14 H26 Cl3 N4 O P Ru -","- C14 H26 Cl3 N4 O P Ru -","- C56 H104 Cl12 N16 O4 P4 Ru4 -","4","1","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.1074","0.0548","","","0.1069","0.1242","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518715","10.5379","0.0005","12.8283","0.0006","13.7451","0.0007","100.766","0.002","97.279","0.002","91.491","0.002","1808.34","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-N-benzylacetamide)ruthenium(II)","","- C15 H23 Cl2 N4 O P Ru -","- C15 H23 Cl2 N4 O P Ru -","- C60 H92 Cl8 N16 O4 P4 Ru4 -","4","2","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.0236","0.0203","","","0.0483","0.0505","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518716","25.187","0.006","8.1556","0.0019","21.154","0.005","90","","99.308","0.003","90","","4288.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H55 Cl2 N5 O10 -","- C42 H55 Cl2 N5 O10 -","- C168 H220 Cl8 N20 O40 -","4","1","","Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.","Large ring-forming alkylations provide facile access to composite macrocycles","Chem. Sci.","2015","6","4","2219","","10.1039/C4SC03848G","","","0.71073","MoKα","","0.084","0.0682","","","0.1669","0.1758","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518727","24.05898","0.00014","12.60445","0.00006","17.26646","0.00009","90","","109.899","0.0006","90","","4923.42","0.05","120","1","120","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H53 F3 N4 O3 P2 S -","- C53 H53 F3 N4 O3 P2 S -","- C212 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","1.54184","CuKα","","0.0425","0.0418","","","0.1113","0.112","","","","","","1.034","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518728","11.53121","0.00012","15.09347","0.00018","16.48026","0.00017","91.4726","0.0009","100.955","0.0009","90.9436","0.0009","2814.45","0.05","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl Ir N4 P2 -","- C67 H72 Cl Ir N4 P2 -","- C134 H144 Cl2 Ir2 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.041","0.0357","","","0.073","0.0747","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518729","30.1754","0.0004","30.1754","0.0004","27.5094","0.0004","90","","90","","120","","21692.9","0.5","120","1","120","1","","","","","","","","7","R -3","-R 3","148","","","","- C54 H52 Cl Ir N4 O2 P2 -","- C47 H44 Cl Ir N4 O2 P2 -","- C846 H792 Cl18 Ir18 N72 O36 P36 -","18","","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0509","0.0361","","","0.0796","0.0839","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518730","13.28816","0.00019","15.4534","0.0002","18.6095","0.0002","66.4438","0.0013","87.7181","0.0011","64.8361","0.0015","3131.28","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H80 Cl2 Ir2 N4 P2 -","- C68 H76 Cl2 Ir2 N4 P2 -","- C136 H152 Cl4 Ir4 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.0761","0.0798","","","","","","1.111","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518731","12.88426","0.0001","13.46559","0.00009","30.9781","0.0002","90","","99.5872","0.0007","90","","5299.46","0.07","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H62 Au2 Cl3 Ir N4 P2 -","- C53 H56 Au2 Cl3 Ir N4 P2 -","- C212 H224 Au8 Cl12 Ir4 N16 P8 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0414","0.0356","","","0.0829","0.0843","","","","","","1.333","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518738","20.703","0.004","9.885","0.002","14.702","0.003","90","","90","","90","","3008.8","1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19.5 H18.5 As3 Cl6.5 S6 -","- C18 H18 As3 Cl3 S6 -","- C72 H72 As12 Cl12 S24 -","4","0.5","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1259","0.0713","","","0.1818","0.21","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518739","14.2066","0.0008","14.2066","0.0008","33.41","0.002","90","","90","","120","","5839.7","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl3 S6 Sb3 -","- C18 H18 Cl3 S6 Sb3 -","- C108 H108 Cl18 S36 Sb18 -","6","0.166667","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","1.54178","CuKα","","0.0597","0.0532","","","0.1446","0.1493","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518740","10.0055","0.0019","12.424","0.002","16.522","0.003","81.285","0.003","88.456","0.003","84.579","0.003","2020.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 As3 Cl3 S6 -","- C30 H36 As3 Cl3 S6 -","- C60 H72 As6 Cl6 S12 -","2","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1028","0.0909","","","0.239","0.2466","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518741","16.413","0.002","16.413","0.002","23.8","0.006","90","","90","","120","","5552.4","1.7","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 As3 Cl3 S6 -","- C30 H42 As3 Cl3 S6 -","- C180 H252 As18 Cl18 S36 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0731","0.0671","","","0.2213","0.229","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518742","16.0971","0.001","11.4604","0.0007","16.3368","0.001","90","","91.867","0.001","90","","3012.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl3 S6 Sb3 -","- C24 H30 Cl3 S6 Sb3 -","- C96 H120 Cl12 S24 Sb12 -","4","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0286","0.0233","","","0.0553","0.0577","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518743","16.458","0.0006","16.458","0.0006","23.9449","0.0008","90","","90","","120","","5616.9","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 Cl3 S6 Sb3 -","- C30 H42 Cl3 S6 Sb3 -","- C180 H252 Cl18 S36 Sb18 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0294","0.025","","","0.0679","0.0706","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518744","11.5382","0.0014","11.5382","0.0014","25.813","0.003","90","","90","","90","","3436.5","0.7","223","2","223","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C32 H30 N8 O5 Zn4 -","- C32 H30 N8 O5 Zn4 -","- C64 H60 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","0.71073","MoKα","","0.0628","0.0524","","","0.1545","0.1609","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518745","11.517","0.003","11.517","0.003","34.474","0.011","90","","90","","90","","4573","2","273","2","273","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C34 H32 N8 O5 Zn4 -","- C34 H32 N8 O5 Zn4 -","- C68 H64 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","1.54178","CuKα","","0.0814","0.0748","","","0.1927","0.1958","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518753","12.1667","0.0016","12.1867","0.0016","13.5954","0.0018","81.549","0.002","77.873","0.002","65.444","0.002","1788.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Me2NN]Cu(h2-ArFN=ArF)","","","- C37 H31 Cu F12 N4 -","- C37 H31 Cu F12 N4 -","- C74 H62 Cu2 F24 N8 -","2","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal–ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.0555","0.0381","","","0.0921","0.0978","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518754","36.71","0.003","36.71","0.003","4.9148","0.0006","90","","90","","90","","6623.3","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ArFN=NArF","","","- C16 H6 F12 N2 -","- C16 H6 F12 N2 -","- C256 H96 F192 N32 -","16","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal–ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.1031","0.0515","","","0.1382","0.1668","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518755","11.295","0.0011","10.512","0.0008","16.9583","0.0016","90","","102.328","0.004","90","","1967.1","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Au B Cl N2 O2 -","- C18 H27 Au B Cl N2 O2 -","- C72 H108 Au4 B4 Cl4 N8 O8 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0456","0.0378","","","0.1144","0.1298","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518756","15.396","0.002","14.4925","0.0019","24.966","0.004","90","","100.935","0.006","90","","5469.4","1.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Au B Cl N4 O4 -","- C53 H79 Au B Cl N4 O4 -","- C212 H316 Au4 B4 Cl4 N16 O16 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1174","0.0756","","","0.1671","0.1768","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518757","5.9513","0.0006","10.9562","0.0011","17.3953","0.0015","96.176","0.005","93.242","0.005","97.646","0.006","1114.73","0.19","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H27 B F3 Li N2 O5 S -","- C19 H27 B F3 Li N2 O5 S -","- C38 H54 B2 F6 Li2 N4 O10 S2 -","2","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1713","0.0685","","","0.1112","0.1408","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518758","16.46","0.002","13.8072","0.0016","11.9483","0.0018","90","","104.628","0.009","90","","2627.4","0.6","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B Cl N2 O2 Rh -","- C26 H38.734 B Cl N2 O2 Rh -","- C104 H154.936 B4 Cl4 N8 O8 Rh4 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1552","0.0886","","","0.1695","0.1934","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518759","35.4699","0.0014","10.667","0.0005","18.1337","0.0008","90","","115.404","0.002","90","","6197.6","0.5","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 B Cl Ir N2 O2 -","- C33 H47 B Cl Ir N2 O2 -","- C264 H376 B8 Cl8 Ir8 N16 O16 -","8","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0443","0.0285","","","0.0536","0.0583","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518761","9.507","0.002","11.729","0.003","16.605","0.004","102.703","0.002","96.771","0.002","112.595","0.002","1625","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 F12 Fe2 O10 -","- C25 H23 F12 Fe2 O10 -","- C50 H46 F24 Fe4 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0728","0.0481","","","0.1106","0.1249","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518762","9.7834","0.0007","20.8414","0.0016","12.0955","0.0009","90","","102.57","0.0019","90","","2407.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0329","0.0291","","","0.0656","0.0675","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518763","9.7979","0.0013","20.819","0.003","12.0998","0.0016","90","","102.659","0.003","90","","2408.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0348","0.0293","","","0.0687","0.0718","","","","","","1.005","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518764","20.934","0.003","13.481","0.002","17.739","0.003","90","","92.848","0.002","90","","5000","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F30 Fe3 O14 -","- C35 H19 F30 Fe3 O14 -","- C140 H76 F120 Fe12 O56 -","4","0.5","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0494","0.0422","","","0.1087","0.1149","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518765","9.464","0.0006","11.8255","0.0008","16.508","0.0011","102.022","0.0018","97.859","0.0018","112.682","0.0017","1618.3","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe Mn O10 -","- C25 H23 F12 Fe Mn O10 -","- C50 H46 F24 Fe2 Mn2 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0729","0.0444","","","0.0987","0.111","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518766","9.7682","0.0007","20.7583","0.0015","12.0575","0.0009","90","","103.126","0.0017","90","","2381","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe Ni2 O14 -","- C35 H25 F24 Fe Ni2 O14 -","- C70 H50 F48 Fe2 Ni4 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.045","0.0349","","","0.0657","0.0698","","","","","","1.061","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518768","19.113","0.004","8.7386","0.0017","12.407","0.003","90","","107.31","0.03","90","","1978.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cl2 N4 O3 Pt -","- C15 H18 Cl2 N4 O3 Pt -","- C60 H72 Cl8 N16 O12 Pt4 -","4","1","","Tabatabaei Rezaei, Seyed Jamal; Amani, Vahid; Nabid, Mohammad Reza; Safari, Nasser; Niknejad, Hassan","Folate-decorated polymeric Pt(ii) prodrug micelles for targeted intracellular delivery and cytosolic glutathione-triggered release of platinum anticancer drugs","Polym. Chem.","2015","6","15","2844","","10.1039/C5PY00156K","","","0.71073","MoKα","","0.0812","0.0614","","","0.1452","0.1535","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518779","30.868","0.006","17.517","0.004","24.155","0.005","90","","90","","90","","13061","5","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H34 Cl2 Ir N P2 -","- C38 H34 Cl2 Ir N P2 -","- C304 H272 Cl16 Ir8 N8 P16 -","8","0.5","","Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin","Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands","Chem. Sci.","2015","6","5","2928","","10.1039/C5SC00248F","","","0.71073","MoKα","","0.0988","0.0719","","","0.2005","0.2174","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518780","16.767","0.003","19.047","0.004","10.248","0.002","90","","127.038","0.003","90","","2612.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga13.36 O80 P20 Zn6.64 -","8","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong","Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity","Chem. Sci.","2015","6","5","2922","","10.1039/C5SC00291E","","","0.71073","MoKα","","0.0677","0.0466","","","0.1257","0.1353","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518781","12.7767","0.0005","13.894","0.0005","38.0545","0.0013","90.4567","0.0018","92.9881","0.0018","96.475","0.002","6702.5","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H59 B F29 Fe N3 P2 -","- C63 H59 B F29 Fe N3 P2 -","- C252 H236 B4 F116 Fe4 N12 P8 -","4","2","","Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.","Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay","Chem. Sci.","2015","6","5","2737","","10.1039/C5SC00398A","","","0.71073","MoKα","","0.0655","0.0511","","","0.122","0.1288","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518782","17.569","0.004","10.302","0.002","19.781","0.004","90","","100.629","0.002","90","","3518.8","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(salen)Co-CO2CH3","","- C38 H55 Co N2 O4 -","- C38 H55 Co N2 O4 -","- C152 H220 Co4 N8 O16 -","4","1","","Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng","A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization","Chem. Sci.","2015","6","5","2979","","10.1039/C5SC00477B","","","0.71073","MoKα","","0.073","0.0698","","","0.1519","0.1534","","","","","","1.26","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518784","17.3182","0.0007","19.7092","0.0005","12.0924","0.0005","90","","120.773","0.002","90","","3546.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H29 B I N3 -","- C16 H29 B I N3 -","- C128 H232 B8 I8 N24 -","8","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0348","0.0244","","","0.0572","0.0596","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518785","7.1546","0.0004","12.8526","0.0007","20.4294","0.0006","90","","90","","90","","1878.59","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 B N3 O4 -","- C17 H30 B N3 O4 -","- C68 H120 B4 N12 O16 -","4","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0437","0.0378","","","0.0856","0.0882","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518786","7.4701","0.0002","19.7919","0.0005","11.1894","0.0003","90","","90","","90","","1654.32","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.036","0.0343","","","0.0966","0.0986","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518787","13.128","0.0006","37.8916","0.0017","10.29","0.0005","90","","90","","90","","5118.7","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H46 F6 Ir N4 O P -","- C58 H46 F6 Ir N4 O P -","- C232 H184 F24 Ir4 N16 O4 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0493","0.0467","","","0.121","0.1228","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518788","15.0877","0.001","13.1747","0.0009","18.093","0.0012","90","","96.094","0.002","90","","3576.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 F6 Ir N4 P -","- C44 H32 F6 Ir N4 P -","- C176 H128 F24 Ir4 N16 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0199","0.0192","","","0.0487","0.0492","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518789","10.8073","0.0006","13.5065","0.0008","20.8777","0.0012","80.953","0.003","86.577","0.003","78.797","0.003","2950.9","0.3","123","","123","","","","","","","","A.Buenzli","6","P -1","-P 1","2","","","","- C76 H60 F6 Ir N4 P -","- C76 H60 F6 Ir N4 P -","- C152 H120 F12 Ir2 N8 P2 -","2","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0243","0.0204","","0.0492","0.0474","0.0492","","","","","","0.9016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518821","11.6132","0.0009","14.7425","0.0011","16.9669","0.0013","87.393","0.003","71.112","0.003","80.062","0.003","2707","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","endo- [AuIII(Cfl^N^C)R]n","3-endo","","- C65 H80 Au N O -","- C65 H80 Au N O -","- C130 H160 Au2 N2 O2 -","2","1","","Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming","Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand","Chem. Sci.","2015","6","5","3026","","10.1039/C4SC03697B","","","1.54178","CuKα","","0.0426","0.0401","","","0.1015","0.1049","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518822","10.071","0.004","11.844","0.004","13.4","0.005","86.394","0.011","79.387","0.018","74.371","0.012","1512.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","05a","","- C35 H34 Au B Mn O2 P -","- C35 H34 Au B Mn O2 P -","- C70 H68 Au2 B2 Mn2 O4 P2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0161","0.0152","","","0.0373","0.0377","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518823","41.848","0.008","10.898","0.002","15.941","0.003","90","","91.024","0.009","90","","7269","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","05b","","- C43 H40 Au B Mn O2 P -","- C43 H40 Au B Mn O2 P -","- C344 H320 Au8 B8 Mn8 O16 P8 -","8","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.079","0.0449","","","0.0885","0.1043","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518824","13.491","0.002","13.559","0.002","16.412","0.002","90","","101.959","0.015","90","","2937","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","05c","","- C30 H29 Au B Mn N O2 P S -","- C30 H29 Au B Mn N O2 P S -","- C120 H116 Au4 B4 Mn4 N4 O8 P4 S4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.037","0.03","","","0.0662","0.0688","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518825","18.435","0.006","33.798","0.015","17.288","0.005","90","","113.832","0.018","90","","9853","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","08","","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C368 H320 Au8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0626","0.0462","","","0.0942","0.0999","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518826","12.2946","0.0006","13.8214","0.0006","16.0619","0.0008","88.083","0.002","67.993","0.002","83.916","0.002","2516.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","09_co-planar","","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","1","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0545","","","0.1447","0.1555","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518827","11.184","0.004","36.556","0.015","13.609","0.004","90","","93.434","0.01","90","","5554","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","09_staggered","","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C212 H192 Ag4 B12 Cl32 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.1203","0.0977","","","0.1545","0.1631","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518828","18.444","0.009","33.901","0.013","17.285","0.005","90","","113.909","0.017","90","","9880","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","09'_staggered","","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C368 H320 Ag8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0628","0.0481","","","0.1107","0.1189","","","","","","1.057","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1518829","11.0743","0.0018","36.198","0.009","13.711","0.004","90","","93.21","0.02","90","","5488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","10","","- C53 H48 B3 Cl8 Cu Mn2 O4 -","- C53.007 H48.008 B3 Cl8 Cu Mn2 O4 -","- C212.028 H192.032 B12 Cl32 Cu4 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0821","0.0687","","","0.1331","0.137","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518830","11.952","0.004","14.576","0.005","20.573","0.006","70.672","0.014","73.21","0.017","68.233","0.018","3084","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11","","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C110 H100 B6 Cl24 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0391","0.0299","","","0.0747","0.079","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518831","11.301","0.004","14.461","0.003","21.311","0.007","97.172","0.014","96.19","0.03","102.139","0.018","3345.8","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11'","","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C134 H124 B6 Cl16 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0496","","","0.1287","0.1408","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518832","12.38","0.003","15.772","0.005","18.327","0.004","83.065","0.019","74.699","0.013","81.63","0.02","3402.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H50 Au B F24 P2 -","- C75 H50 Au B F24 P2 -","- C150 H100 Au2 B2 F48 P4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0647","0.0468","","","0.103","0.1105","","","","","","1.027","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518843","6.0325","0.0007","20.594","0.002","14.3515","0.0015","90","","97.425","0.005","90","","1768","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1HF1027B","4aba","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0796","0.0479","","","0.1067","0.12","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518844","10.6026","0.0004","12.0053","0.0004","16.5199","0.0006","90","","105.806","0.002","90","","2023.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1iv2-O11-3","4aha","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.072","0.048","","","0.1066","0.1173","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518845","19.6584","0.0005","6.7792","0.0002","14.62","0.0004","90","","104.609","0.001","90","","1885.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lm1HF1105B","4aia","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0565","0.0417","","","0.1095","0.1189","","","","","","1.044","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518846","5.928","0.0004","7.6682","0.0005","11.3533","0.0008","90","","95.944","0.003","90","","513.31","0.06","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H9 Br Cl N O2 -","- C10 H9 Br Cl N O2 -","- C20 H18 Br2 Cl2 N2 O4 -","2","1","","Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao","Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion","Chem. Sci.","2015","6","5","3044","","10.1039/C5SC00221D","","","0.71073","MoKα","","0.0283","0.0264","","","0.054","0.0544","","","","","","0.986","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518865","8.6161","0.0016","8.9124","0.0009","25.571","0.003","90","","99.438","0.009","90","","1937","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Yu, Yang; Tambar, Uttam K.","Palladium-Catalyzed Cross-Coupling of α-Bromocarbonyls and Allylic Alcohols for the Synthesis of α-Aryl Dicarbonyl Compounds.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","5","2777","2781","10.1039/C5SC00505A","","","0.71073","MoKα","","0.0856","0.0449","","","0.0862","0.1016","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518866","13.672","0.001","7.313","0.001","12.481","0.001","90","","94.296","0.001","90","","1244.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Dy N3 O6 -","- C11 H9 Dy N3 O6 -","- C44 H36 Dy4 N12 O24 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.0186","0.0174","","","0.0471","0.048","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518867","13.655","0.001","7.278","0.001","12.428","0.001","90","","94.424","0.001","90","","1231.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O6 Y -","- C11 H9 N3 O6 Y -","- C44 H36 N12 O24 Y4 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.03","0.0248","","","0.0735","0.0763","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518869","8.8838","0.0004","20.6864","0.001","22.5136","0.0011","68.276","0.003","78.717","0.003","89.509","0.003","3760","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N6 O10 -","- C42 H34 N6 O10 -","- C168 H136 N24 O40 -","4","2","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.133","0.1173","","","0.266","0.2734","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518870","10.4583","0.0009","13.5669","0.0012","19.947","0.0017","76.564","0.004","75.557","0.004","80.757","0.004","2649.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H57.75 N7 O7 -","- C67 H57.749 N7 O7 -","- C134 H115.498 N14 O14 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.0662","0.0568","","","0.1263","0.1316","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518871","5.594","0.00016","47.1662","0.0011","9.2545","0.0003","90","","103.425","0.003","90","","2375.06","0.12","279.88","0.1","279.88","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui","Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission","Chem. Sci.","2015","6","5","3236","","10.1039/C5SC00466G","","","1.54184","CuKα","","0.066","0.0566","","","0.1381","0.1437","","","","","","1.128","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518875","22.502","0.002","12.882","0.0012","21.773","0.0014","90","","98.995","0.005","90","","6233.7","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H84 N0 O26 Zn8 -","- C42 H84 O26 Zn8 -","- C168 H336 O104 Zn32 -","4","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.1605","0.0956","","","0.191","0.2492","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518876","9.5731","0.0004","10.8542","0.0006","13.0771","0.0007","77.371","0.002","83.044","0.003","80.914","0.003","1304.01","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","1","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.0535","0.0391","","","0.0774","0.0831","","","","","","1.134","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518877","14.2413","0.0007","19.4418","0.0009","17.8883","0.0008","90","","107.095","0.002","90","","4734","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","compound 4","","- C50 H71 B Li2 N2 O5 Si -","- C50 H71 B Li2 N2 O5 Si -","- C200 H284 B4 Li8 N8 O20 Si4 -","4","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.091","0.0507","","","0.1149","0.1265","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518878","8.8424","0.0006","12.4631","0.0009","16.1075","0.0012","105.517","0.004","91.645","0.003","106.554","0.003","1628.9","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","compound Zr-1","","- C34 H39 B Cl2 N2 O Si Zr -","- C34 H39 B Cl2 N2 O Si Zr -","- C68 H78 B2 Cl4 N4 O2 Si2 Zr2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0341","0.0259","","","0.0629","0.0659","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518879","9.9361","0.0007","12.4723","0.0008","15.9","0.0011","84.293","0.003","73.108","0.003","83.935","0.003","1870","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","compound Zr-2","","- C40 H47 B Cl2 N2 Si Zr -","- C40 H47 B Cl2 N2 Si Zr -","- C80 H94 B2 Cl4 N4 Si2 Zr2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0304","0.0253","","","0.0659","0.0685","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518880","8.8119","0.0005","12.4637","0.0007","16.1223","0.0009","105.491","0.003","91.532","0.003","106.268","0.002","1628.15","0.16","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","compound Hf-1","","- C34 H39 B Cl2 Hf N2 O Si -","- C34 H39 B Cl2 Hf N2 O Si -","- C68 H78 B2 Cl4 Hf2 N4 O2 Si2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0314","0.0242","","","0.052","0.0541","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518881","21.8109","0.0017","13.5026","0.0011","17.5034","0.0016","90","","90","","90","","5154.8","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","compound 3","","- C30 H33 B N2 Si -","- C30 H33 B N2 Si -","- C240 H264 B8 N16 Si8 -","8","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.1145","0.0481","","","0.0802","0.0912","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518882","13.468","0.002","14.272","0.002","20.836","0.003","85.98","0.02","89.96","0.02","87.39","0.02","3991","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82.5 H86 B Cr F24 N2 -","- C82.5 H86 B Cr F24 N2 -","- C165 H172 B2 Cr2 F48 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0614","0.038","","","0.0802","0.0898","","","","","","1.012","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518883","16.958","0.003","10.973","0.002","22.073","0.005","90","","108.91","0.02","90","","3885.7","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 Cr N2 -","- C40 H62 Cl2 Cr N2 -","- C160 H248 Cl8 Cr4 N8 -","4","0.5","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.033","0.0277","","","0.0697","0.0727","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518884","9.636","0.002","12.053","0.002","19.94","0.003","102.29","0.02","95.37","0.02","106.71","0.02","2137.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Cr N2 -","- C47 H70 Cl Cr N2 -","- C94 H140 Cl2 Cr2 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0467","0.0341","","","0.0752","0.0814","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518906","13.707","0.002","6.3468","0.001","13.269","0.003","90","","103.472","0.008","90","","1122.6","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C68 H36 O4 -","2","0.5","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.0409","0.0302","","","0.0873","0.1011","","","","","","1.206","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518907","18.9562","0.0015","15.493","0.0015","14.8168","0.0014","90","","90","","90","","4351.5","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H16 O2 -","- C34 H16 O2 -","- C272 H128 O16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.1353","0.0651","","","0.1611","0.19","","","","","","0.946","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518908","34.006","0.002","7.6167","0.0005","36.832","0.002","90","","90","","90","","9540","1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C59 H61 Si2 -","- C59 H61 Si2 -","- C472 H488 Si16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.175","0.0778","","","0.1623","0.2072","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518942","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518943","11.0079","0.0002","6.36439","0.00012","13.7975","0.001","90","","110.712","0.008","90","","904.16","0.08","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0313","","","","0.0816","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518946","11.5587","0.0013","11.8263","0.0013","17.672","0.002","92.233","0.003","102.972","0.003","108.187","0.002","2220.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F3 N2 O -","- C11 H9 F3 N2 O -","- C88 H72 F24 N16 O8 -","8","4","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","0.71073","MoKα","","0.096","0.056","","","0.1578","0.187","","","","","","1.023","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518947","9.0634","0.0015","5.8062","0.0011","9.8369","0.0015","90","","90.567","0.012","90","","517.63","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0684","0.0436","","","0.1306","0.1464","","","","","","1.151","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518948","5.7467","0.0001","9.4574","0.0001","27.5934","0.0004","90","","90","","90","","1499.67","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0445","0.0426","","","0.1187","0.1214","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518949","23.6399","0.0019","5.207","0.0003","15.042","0.001","90","","107.545","0.005","90","","1765.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 S2 -","- C46 H46 N2 S2 -","- C92 H92 N4 S4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0986","0.0661","","","0.1554","0.1749","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518950","43.2109","0.0016","43.2109","0.0016","5.0578","0.0002","90","","90","","120","","8178.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H42 N2 S4 -","- C42 H42 N2 S4 -","- C378 H378 N18 S36 -","9","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0707","0.0583","","","0.1502","0.156","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518951","15.3148","0.0009","5.2027","0.0003","21.5181","0.0012","90","","93.605","0.004","90","","1711.13","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 O2 -","- C46 H46 N2 O2 -","- C92 H92 N4 O4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.1069","0.0748","","","0.213","0.2409","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518952","12.536","0.002","12.3769","0.0018","13.069","0.003","90","","115.499","0.007","90","","1830.2","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7a","","","- C34 H36 Cl2 Mo2 N6 O4 -","- C34 H36 Cl2 Mo2 N6 O4 -","- C68 H72 Cl4 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.1061","0.0918","","","0.2248","0.2441","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518953","12.6064","0.0014","14.1061","0.0014","19.183","0.002","90","","101.372","0.006","90","","3344.3","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9a","","","- C62 H102 Cl4 Mo2 N6 O4 -","- C62 H102 Cl4 Mo2 N6 O4 -","- C124 H204 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0877","0.0783","","","0.1652","0.1724","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518954","12.142","0.004","13.615","0.004","17.274","0.006","78.896","0.009","84.467","0.011","69.112","0.008","2616.8","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","10a","","","- C48 H69 Cl4 Mo2 N6 O4 -","- C48 H69 Cl4 Mo2 N6 O4 -","- C96 H138 Cl8 Mo4 N12 O8 -","2","1","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0971","0.0819","","","0.2007","0.225","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518955","11.752","0.005","15.014","0.007","11.14","0.005","90","","109.276","0.003","90","","1855.4","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","11a","","","- C34 H36 Cl4 Mo2 N6 O4 -","- C34 H36 Cl4 Mo2 N6 O4 -","- C68 H72 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0619","0.0571","","","0.1151","0.1184","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518956","25.4376","0.0001","25.4376","0.0001","25.4376","0.0001","90","","90","","90","","16459.9","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0596","0.0563","","","0.1595","0.1637","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518957","25.4213","0.0002","25.4213","0.0002","25.4213","0.0002","90","","90","","90","","16428.3","0.2","293","0.1","293","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0776","0.0633","","","0.1814","0.1913","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518958","25.3976","0.0001","25.3976","0.0001","25.3976","0.0001","90","","90","","90","","16382.4","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.033","0.0306","","","0.1019","0.1032","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518959","25.357","0.0001","25.357","0.0001","25.357","0.0001","90","","90","","90","","16304","0.11","293.01","0.1","293.01","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0422","0.0397","","","0.1188","0.1203","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518983","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518984","9.6681","0.0002","17.2389","0.0004","20.8625","0.0005","90","","90.222","0.002","90","","3477.07","0.14","173.1","0.5","173.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Cl3 -","- C45 H31 Cl3 -","- C180 H124 Cl12 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0876","0.0779","","","0.1766","0.1815","","","","","","1.002","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518985","28.4","0.0007","12.0889","0.0002","20.7374","0.0006","90","","110.271","0.003","90","","6678.7","0.3","173","0.3","173","0.3","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 -","- C48 H32 -","- C384 H256 -","8","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0409","0.0383","","","0.0946","0.0966","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518986","9.2686","0.0002","7.5344","0.0001","22.0069","0.0005","90","","91.349","0.002","90","","1536.39","0.05","173","0.14","173","0.14","","","","","","","","2","P 1 21 1","P 2yb","4","","BDPM-DHT","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0578","0.0557","","","0.1504","0.1517","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518987","14.1659","0.0008","25.5435","0.0014","20.2558","0.0015","90","","95.695","0.007","90","","7293.3","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(IPr*)(PCy3)","(N,N'-bis(2,6‒bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)(tricyclohexylphosphine) palladium","","- C93 H95 N2 P Pd -","- C93 H95 N2 P Pd -","- C372 H380 N8 P4 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.0578","","","","0.1459","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518988","12.889","0.003","27.082","0.007","14.073","0.004","90","","92.483","0.004","90","","4908","2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pd(SIPr)2","Bis(N,N'-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene)palladium","","- C54 H76 N4 Pd -","- C54 H76 N4 Pd -","- C216 H304 N16 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.102","","","","0.236","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519000","12.8361","0.0014","15.5717","0.0018","15.9281","0.0017","100.921","0.004","109.976","0.004","108.18","0.004","2682","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0789","0.0506","","","0.1087","0.1184","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519001","12.85","0.0012","15.5881","0.0015","15.9283","0.0015","100.951","0.005","110.033","0.005","108.118","0.005","2687.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","1.54178","CuKα","","0.1098","0.0771","","","0.2016","0.236","","","","","","1.048","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1519002","15.0498","0.0012","15.6708","0.0013","17.4668","0.0015","111.901","0.003","107.076","0.003","102.416","0.003","3400.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.5 H87 N5 Ni -","- C85.5 H87 N5 Ni -","- C171 H174 N10 Ni2 -","2","1","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0545","0.0423","","","0.1027","0.1095","","","","","","0.999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519367","12.2849","0.0004","16.0628","0.0003","14.7939","0.0004","90","","113.273","0.003","90","","2681.74","0.14","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]perchlorate","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C80 H80 Cl8 I8 N16 O32 -","8","2","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0384","0.0278","","","0.079","0.0872","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519368","13.6827","0.0006","6.7491","0.0003","8.4045","0.0003","90","","106.045","0.004","90","","745.89","0.06","170","0.1","170","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[bis(pyridine)iodine]hexafluorophosphate","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0172","0.0172","","","0.0427","0.0427","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519369","6.9674","0.0004","7.1797","0.0003","7.7358","0.0004","91.775","0.004","101.402","0.005","96.682","0.004","376.18","0.03","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","[bis(pyridine)iodine]hexafluoroantimonate","","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","1","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0268","0.0218","","","0.0562","0.0638","","","","","","1.093","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519370","7.0091","0.0004","10.6722","0.0006","10.7542","0.0008","93.455","0.005","105.677","0.006","104.138","0.005","744.16","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)iodine]triflate","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","1.54184","CuKα","","0.0526","0.0502","","","0.1616","0.1635","","","","","","1.144","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519371","9.0892","0.0004","21.1577","0.0013","10.0924","0.0005","90","","115.781","0.006","90","","1747.65","0.18","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]tosylate","","- C17 H17 I N2 O3 S -","- C17 H17 I N2 O3 S -","- C68 H68 I4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.036","0.0297","","","0.0565","0.0588","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519372","7.0864","0.0003","7.4613","0.0003","13.5366","0.0006","99.491","0.004","94.725","0.004","117.637","0.004","614.97","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)iodine]nitrate","","- C10 H10 I N3 O3 -","- C10 H10 I N3 O3 -","- C20 H20 I2 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0527","0.0332","","","0.0956","0.1043","","","","","","1","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519373","7.2894","0.0002","13.3581","0.0003","16.9874","0.0005","90","","101.989","0.003","90","","1618.03","0.08","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]tetrafluoroborate","","- C12 H14 Ag B Cl2 F4 N2 -","- C12 H14 Ag B Cl2 F4 N2 -","- C48 H56 Ag4 B4 Cl8 F16 N8 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0363","0.0308","","","0.0795","0.0834","","","","","","1.057","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519374","7.2442","0.0002","13.3604","0.0003","16.9657","0.0004","90","","101.394","0.003","90","","1609.67","0.07","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]perchlorate","","- C12 H14 Ag Cl3 N2 O4 -","- C12 H14 Ag Cl3 N2 O4 -","- C48 H56 Ag4 Cl12 N8 O16 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0339","0.0294","","","0.0737","0.0765","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519375","9.968","0.002","10.512","0.002","10.679","0.002","111.37","0.03","116.82","0.03","97.43","0.03","869.9","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)silver]hexafluorophosphate","","- C12 H14 Ag Cl2 F6 N2 P -","- C12 H14 Ag Cl2 F6 N2 P -","- C24 H28 Ag2 Cl4 F12 N4 P2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0818","0.0535","","","0.0915","0.1009","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519376","12.6882","0.0003","13.8467","0.0003","11.1581","0.0003","90","","112.12","0.003","90","","1816.08","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]hexafluoroantimonate","","- C12 H14 Ag Cl2 F6 N2 Sb -","- C12 H14 Ag Cl2 F6 N2 Sb -","- C48 H56 Ag4 Cl8 F24 N8 Sb4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0234","0.0203","","","0.0424","0.0445","","","","","","1.046","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519377","7.952","0.0004","17.294","0.0006","10.7947","0.0006","90","","95.624","0.002","90","","1477.36","0.12","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]triflate","","- C11 H10 Ag F3 N2 O3 S -","- C11 H10 Ag F3 N2 O3 S -","- C44 H40 Ag4 F12 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.097","0.0508","","","0.098","0.1141","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519378","9.8088","0.0002","15.4242","0.0003","11.5973","0.0003","90","","100.033","0.002","90","","1727.76","0.07","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]tosylate","","- C17 H17 Ag N2 O3 S -","- C17 H17 Ag N2 O3 S -","- C68 H68 Ag4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0243","0.0214","","","0.0488","0.0504","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519379","7.4958","0.0003","10.0405","0.0005","12.7988","0.0006","82.991","0.004","83.259","0.004","76.743","0.004","926.59","0.08","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)silver]nitrate","","- C15 H15 Ag2 N5 O6 -","- C15 H15 Ag2 N5 O6 -","- C30 H30 Ag4 N10 O12 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0334","0.028","","","0.0607","0.0657","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519380","5.7265","0.0002","14.7681","0.0006","14.6482","0.0006","90","","96.59","0.004","90","","1230.61","0.08","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[bis(pyridine)silver]nitrate","","- C10 H12 Ag N3 O4 -","- C10 H12 Ag N3 O4 -","- C40 H48 Ag4 N12 O16 -","4","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N–I–N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0195","0.0179","","","0.0404","0.0415","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519381","7.2198","0.0003","13.3083","0.0005","14.6862","0.0005","116.693","0.004","90.96","0.003","90.319","0.003","1260.4","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","[(1,2-bis(pyridin-2-ylethynyl)benzene)silver]nitrate","","- C22.5 H17 Ag Cl5 N3 O3 -","- C22.5 H17 Ag Cl5 N3 O3 -","- C45 H34 Ag2 Cl10 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1067","0.1081","","","","","","1.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519382","17.809","0.002","18.594","0.002","22.412","0.003","73.894","0.004","83.175","0.004","71.769","0.003","6768.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H79 B Cl N6 O13 S6 -","- C57.125 H71.485 B Cl0.25 N6 O13 S6 -","- C228.5 H285.94 B4 Cl N24 O52 S24 -","4","2","","Rudolf, Marc; Trukhina, Olga; Perles, Josefina; Feng, Lai; Akasaka, Takeshi; Torres, Tomas; Guldi, Dirk M.","Taming C60fullerene: tuning intramolecular photoinduced electron transfer process with subphthalocyanines","Chem. Sci.","2015","6","7","4141","","10.1039/C5SC00223K","","","0.71073","MoKα","","0.1661","0.108","","","0.2951","0.3655","","","","","","1.315","","","","has coordinates,has disorder","143325","2020-10-21","18:00:00",""
"1519383","14.749","0.003","15.266","0.003","18.081","0.004","72.467","0.005","83.794","0.004","81.014","0.004","3826.2","1.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Fe2 Mo2 N12 P4 -","- C72 H102 Fe2 Mo2 N12 P4 -","- C144 H204 Fe4 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0452","","","","0.0934","","","","","","1.013","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519384","14.7212","0.0003","15.3604","0.0003","18.0121","0.0004","72.7582","0.0007","84.4816","0.0007","81.1096","0.0007","3837.72","0.14","198","","198","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Mo2 N12 P4 Ru2 -","- C72 H102 Mo2 N12 P4 Ru2 -","- C144 H204 Mo4 N24 P8 Ru4 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0424","","","","0.0746","","","","","","1.007","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519385","21.9221","0.001","15.852","0.0007","14.007","0.0006","90","","121.631","0.0009","90","","4144.4","0.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H65 Cl3 Fe Mo N P2 -","- C39 H51 Cl3 Fe Mo N P2 -","- C156 H204 Cl12 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.065","","","","0.1225","","","","","","1.038","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519386","13.2456","0.0006","15.6143","0.0006","24.2272","0.0012","90.538","0.0013","102.695","0.0014","112.964","0.001","4475.5","0.3","198","","198","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H64 Cl5 Fe Mo N P2 -","- C39 H64 Cl5 Fe Mo N P2 -","- C156 H256 Cl20 Fe4 Mo4 N4 P8 -","4","2","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0927","","","","0.1751","","","","","","0.981","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519387","18.9384","0.0012","19.521","0.0011","13.7984","0.0008","90","","120.86","0.0011","90","","4379","0.5","198","","198","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl5 Fe Mo N P2 -","- C40 H57 Cl5 Fe Mo N P2 -","- C160 H228 Cl20 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0503","","","","0.0968","","","","","","1.012","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519388","11.295","0.005","12.39","0.004","16.088","0.003","90","","90","","90","","2251.4","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N5 O2 -","- C27 H25 N5 O2 -","- C108 H100 N20 O8 -","4","1","","Li, Qi; Xia, Tingting; Yao, Licheng; Deng, Haiteng; Liao, Xuebin","Enantioselective and diastereoselective azo-coupling/iminium-cyclizations: a unified strategy for the total syntheses of (−)-psychotriasine and (+)-pestalazine B","Chem. Sci.","2015","6","6","3599","","10.1039/C5SC00338E","","","0.71073","MoKα","","0.0602","0.0412","","","0.0739","0.0849","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519389","10.8676","0.0015","12.3446","0.0016","19.476","0.003","75.286","0.007","86.422","0.006","86.274","0.008","2518.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 N2 O4 -","- C60 H70 N2 O4 -","- C120 H140 N4 O8 -","2","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1476","0.0546","","","0.1071","0.1456","","","","","","0.913","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519390","12.309","0.0019","37.444","0.007","10.6821","0.0017","90","","91.78","0.008","90","","4921","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 N2 O6 -","- C55 H72 N2 O6 -","- C220 H288 N8 O24 -","4","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1409","0.0678","","","0.1658","0.1922","","","","","","0.917","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519391","18.4298","0.0012","18.4298","0.0012","16.84","0.0011","90","","90","","120","","4953.5","0.6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 Th -","- C18 H54 Cl N3 Si6 Th -","- C108 H324 Cl6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0213","0.0176","","","0.0417","0.0437","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519392","18.404","0.004","18.404","0.004","29.626","0.007","90","","90","","120","","8690","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H82 Cl2 N3 Na O4.5 Si6 Th -","- C36 H90 Cl2 N3 Na O4.5 Si6 Th -","- C216 H540 Cl12 N18 Na6 O27 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0745","0.0503","","","0.1166","0.1272","","","","","","1","","","","has coordinates","189369","2020-10-21","18:00:00",""
"1519393","18.328","0.005","18.328","0.005","17.356","0.005","90","","90","","120","","5049","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 Th -","- C18 H54 I N3 Si6 Th -","- C108 H324 I6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0458","0.0295","","","0.0681","0.0772","","","","","","0.891","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519394","12.955","0.002","13.0253","0.0019","16.867","0.002","85.654","0.003","77.178","0.003","79.336","0.003","2725.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H73 N2 O2 Si4 Th -","- C53 H73 N2 O2 Si4 Th -","- C106 H146 N4 O4 Si8 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium–ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0452","0.031","","","0.0612","0.0653","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519395","10.5938","0.001","11.5867","0.0011","19.595","0.0019","96.883","0.002","91.006","0.002","96.27","0.002","2372.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 N3 S Si6 Th -","- C37 H69 N3 S Si6 Th -","- C74 H138 N6 S2 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0518","0.035","","","0.0702","0.075","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519396","20.457","0.003","20.307","0.003","25.358","0.003","90","","90","","90","","10534","3","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H83 K N3 O7.5 Si6 Th -","- C32 H78 K N3 O7.5 Si6 Th -","- C256 H624 K8 N24 O60 Si48 Th8 -","8","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.1507","0.1001","","","0.1885","0.2046","","","","","","1.207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519397","12.7484","0.0016","18.891","0.002","21.817","0.003","91.554","0.002","105.863","0.002","92.564","0.002","5044.8","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 Th -","- C30 H78 K N3 O6 S Si6 Th -","- C120 H312 K4 N12 O24 S4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium–ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0617","0.0387","","","0.1126","0.1275","","","","","","0.87","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519398","8.5417","0.0005","8.0442","0.0005","7.4465","0.0004","90","","99.017","0.005","90","","505.33","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F4 O6 -","- C4 H3 F2 O3 -","- C16 H12 F8 O12 -","4","1","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","1.54184","CuKα","","0.0504","0.0462","","","0.1414","0.1463","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519399","6.332","0.006","4.701","0.005","17.423","0.016","90","","95.605","0.015","90","","516.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 F4 O4 -","- C10 H6 F4 O4 -","- C20 H12 F8 O8 -","2","0.5","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","0.71073","MoKα","","0.0709","0.065","","","0.1877","0.206","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519400","25.233","0.005","22.054","0.004","17.997","0.004","90","","99.09","0.03","90","","9889","4","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93.62 Ga4 Gd2 N15 O31.31 -","- C94 H85 Ga4 Gd2 N15 O31.31 -","- C376 H340 Ga16 Gd8 N60 O125.24 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0616","0.0422","","","0.1051","0.1206","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519401","25.1697","0.0006","22.1217","0.0006","17.9895","0.0005","90","","99.302","0.001","90","","9884.8","0.5","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Tb2 -","- C94 H85 Ga4 N15 O31 Tb2 -","- C376 H340 Ga16 N60 O124 Tb8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0657","0.0372","","","0.0814","0.098","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519402","25.1638","0.0018","22.1781","0.0004","18.0649","0.0003","90","","99.353","0.007","90","","9947.7","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Dy2 Ga4 N15 O31 -","- C94 H85 Dy2 Ga4 N15 O31 -","- C376 H340 Dy8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0627","0.0572","","","0.1545","0.1591","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519403","25.1476","0.0005","22.138","0.0004","18.0285","0.0013","90","","99.177","0.007","90","","9908.3","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C93 H91 Er2 Ga4 N15 O31 -","- C93 H81 Er2 Ga4 N15 O31 -","- C372 H324 Er8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0957","0.0868","","","0.2382","0.2574","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519404","25.1053","0.0018","22.1794","0.0004","18.0733","0.0003","90","","99.377","0.007","90","","9929.1","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Y2 -","- C94 H85 Ga4 N15 O31 Y2 -","- C376 H340 Ga16 N60 O124 Y8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0459","0.0437","","","0.1221","0.1238","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519405","5.8732","0.0017","11.684","0.003","28.383","0.008","90","","90","","90","","1947.7","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0477","","","0.109","0.119","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519406","11.541","0.0007","11.541","0.0007","52.812","0.005","90","","90","","120","","6091.9","0.8","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C35 H38 B F4 N3 O Si -","- C35 H38 B F4 N3 O Si -","- C210 H228 B6 F24 N18 O6 Si6 -","6","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0499","","","0.1267","0.1341","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519407","17.6073","0.0006","17.0188","0.0007","25.0871","0.001","90","","101.722","0.002","90","","7360.7","0.5","110","2","110","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","PCN-22","","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","1","0.25","","Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai","A single crystalline porphyrinic titanium metal‒organic framework","Chem. Sci.","2015","6","7","3926","","10.1039/C5SC00916B","","","0.71073","MoKα","","0.1262","0.0953","","","0.2222","0.2321","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519408","7.2307","0.0003","12.06","0.0005","14.471","0.0006","74.425","0.0017","82.9797","0.0018","79.6363","0.0018","1192.09","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N5 O4 Pt -","- C25 H22 Cl N5 O4 Pt -","- C50 H44 Cl2 N10 O8 Pt2 -","2","1","","Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming","Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions","Chem. Sci.","2015","6","7","3823","","10.1039/C4SC03635B","","","1.54178","CuKα","","0.0428","0.0404","","","0.1075","0.1098","","","","","","1.068","","","","has coordinates","143344","2020-10-21","18:00:00",""
"1519409","6.2836","0.0003","12.6214","0.0007","37.0026","0.0017","90","","90","","90","","2934.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O3 -","- C17 H17 Cl O3 -","- C136 H136 Cl8 O24 -","8","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0297","0.0279","","","0.0709","0.0716","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519410","12.1037","0.0002","6.87725","0.00012","16.6432","0.0003","90","","92.6683","0.0016","90","","1383.88","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0829","0.0823","","","0.2479","0.2481","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519411","7.0438","0.0005","11.6921","0.0007","9.8846","0.0007","90","","108.47","0.008","90","","772.13","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O3 -","- C18 H19 Cl O3 -","- C36 H38 Cl2 O6 -","2","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0336","0.0328","","","0.0886","0.0893","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519412","6.71816","0.00007","13.19234","0.00016","17.888","0.0002","90","","90","","90","","1585.38","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0299","0.0295","","","0.0786","0.0789","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519413","9.632","0.002","9.726","0.002","11.729","0.003","90","","90","","90","","1098.8","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl O3 -","- C12 H9 Cl O3 -","- C48 H36 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0471","0.0437","","","0.1154","0.1182","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519414","7.45","0.0009","7.796","0.0009","21.193","0.003","90","","90","","90","","1230.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Br Cl O3 -","- C12 H8 Br Cl O3 -","- C48 H32 Br4 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0494","0.0386","","","0.0941","0.0988","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519415","19.3042","0.0005","19.3042","0.0005","19.3042","0.0005","90","","90","","90","","7193.8","0.3","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Y-ftw-MOF-1","","- C114 H86 O52 Y6 -","- C114 H86 O51.96 Y6 -","- C114 H86 O51.96 Y6 -","1","0.0208333","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.0922","0.0834","","","0.2599","0.2626","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519416","40.048","0.003","40.048","0.003","40.048","0.003","90","","90","","90","","64231","8","296","2","296.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-2","","- C138 H78 O35 Y6 -","- C138 H78 O35 Y6 -","- C1104 H624 O280 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.1233","0.0983","","","0.238","0.2493","","","","","","1.174","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519417","48.111","0.016","48.111","0.016","48.111","0.016","90","","90","","90","","111361","6","284","2","284","2","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-3","","- C162 H78 O32 Y6 -","- C162 H78 O32 Y6 -","- C1296 H624 O256 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.104","0.0779","","","0.2006","0.2196","","","","","","0.871","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519418","7.9685","0.0007","11.0136","0.0009","16.1416","0.0014","90","","90","","90","","1416.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F S -","- C17 H17 F S -","- C68 H68 F4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0286","0.0284","","","0.0709","0.0711","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519419","9.4841","0.0003","9.9993","0.0003","14.7157","0.0005","90","","90","","90","","1395.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F O S -","- C17 H17 F O S -","- C68 H68 F4 O4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0274","0.0265","","","0.0665","0.067","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519420","14.663","0.0003","9.5972","0.0003","10.7876","0.0004","90","","109.646","0.002","90","","1429.7","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O2 S -","- C17 H17 F O2 S -","- C68 H68 F4 O8 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0573","0.0389","","","0.0844","0.0922","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519421","20.3421","0.0007","4.6595","0.0002","9.8133","0.0004","90","","90","","90","","930.14","0.06","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H8 F N O3 S -","- C8 H8 F N O3 S -","- C32 H32 F4 N4 O12 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","0.71073","MoKα","","0.083","0.059","","","0.1356","0.153","","","","","","1.044","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519422","7.2161","0.0003","7.3574","0.0003","9.1736","0.0004","86.045","0.0012","76.993","0.0012","78.266","0.0012","464.49","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 F N O4 S -","- C8 H8 F N O4 S -","- C16 H16 F2 N2 O8 S2 -","2","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur–fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0299","0.029","","","0.0745","0.0753","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519423","9.4882","0.0018","10.3774","0.0019","15.575","0.003","90","","107.509","0.006","90","","1462.5","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kim, Jinhee; Sim, Mikyung; Kim, Namhoon; Hong, Sungwoo","Asymmetric C–H functionalization of cyclopropanes using an isoleucine-NH2bidentate directing group","Chem. Sci.","2015","6","6","3611","","10.1039/C5SC01137J","","","0.71073","MoKα","","0.1687","0.1445","","","0.3846","0.3965","","","","","","1.148","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519424","12.1843","0.0002","13.6819","0.0003","22.5624","0.0016","90","","99.683","0.007","90","","3707.7","0.3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cu N4 O4.5 -","- C19 H21 Cu N4 O4.5 -","- C152 H168 Cu8 N32 O36 -","8","2","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0518","0.0472","","","0.1457","0.1499","","","","","","1.162","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519425","14.1161","0.0003","15.8051","0.0011","14.538","0.0003","90","","90","","90","","3243.5","0.2","85","2","85","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu2 N8 O6 -","- C36 H34 Cu2 N8 O6 -","- C144 H136 Cu8 N32 O24 -","4","0.5","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0328","0.0327","","","0.0833","0.0834","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519426","8.7727","0.0011","16.781","0.002","18.22","0.002","90","","91.317","0.005","90","","2681.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 B Cl2 N2 -","- C26 H44 B Cl2 N2 -","- C104 H176 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0513","0.04","","","0.0986","0.1066","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519427","8.4091","0.0017","23.915","0.005","13.429","0.003","90","","91.008","0.007","90","","2700.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 B Cl2 N2 -","- C22 H39 B Cl2 N2 -","- C88 H156 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0963","0.0662","","","0.2268","0.2453","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519428","7.1189","0.0006","15.9168","0.0014","15.0043","0.0012","90","","91.677","0.003","90","","1699.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 B Br2 N2 -","- C13 H28 B Br2 N2 -","- C52 H112 B4 Br8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0234","0.0216","","","0.057","0.0578","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519429","8.8938","0.0017","9.258","0.002","15.064","0.003","73.468","0.012","79.717","0.009","77.485","0.008","1151.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H41 B N2 -","- C23 H41 B N2 -","- C46 H82 B2 N4 -","2","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0861","0.0549","","","0.1291","0.1422","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519430","17.37","0.0009","29.0684","0.0013","8.8805","0.0004","90","","94.498","0.004","90","","4470.1","0.4","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C240 H192 N24 O24 -","12","1.5","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.0653","0.0429","","","0.1098","0.1247","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519431","9.4336","0.0008","9.5749","0.0008","9.9183","0.0009","115.803","0.009","97.324","0.007","104.839","0.007","749.69","0.14","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.06","0.0449","","","0.1109","0.1255","","","","","","1.029","","","","has coordinates","138478","2020-10-21","18:00:00",""
"1519432","21.4479","0.0014","30.381","0.002","34.189","0.002","90","","97.46","0.003","90","","22089","2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C394 H336 Cl20 N62 O76 Zn10 -","- C394 H336 Cl16 N62 O60 Zn10 -","- C788 H672 Cl32 N124 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1382","0.0998","","","0.2657","0.295","","","","","","1.05","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519433","34.5284","0.0004","34.5284","0.0004","34.5284","0.0004","90","","90","","90","","41165.1","0.8","120","2","120","2","","","","","","","","7","F 41 3 2","F 4d 2 3","210","","","","- C156 H132 B6 Br4 Co5 F24 N24 -","- C156 H132 Br4 Co5 N24 -","- C1248 H1056 Br32 Co40 N192 -","8","0.0833333","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.0788","0.0693","","","0.1854","0.194","","","","","","1.022","","","","has coordinates","138479","2020-10-21","18:00:00",""
"1519434","43.7451","0.0007","25.115","0.0004","39.7763","0.001","90","","100.245","0.002","90","","43003.8","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H132 Co4 F48 N24 P4.96 Sb3.04 -","- C156 H132 Co4 F47.997 N24 P4.958 Sb3.042 -","- C1248 H1056 Co32 F383.976 N192 P39.664 Sb24.336 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.115","0.1016","","","0.2879","0.3025","","","","","","1.103","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519435","21.4814","0.0019","30.514","0.002","34.022","0.003","90","","97.399","0.004","90","","22115","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Br Cl19 N60 O76 Zn10 -","- C390 H330 Br1.004 Cl15 N60 O60 Zn10 -","- C780 H660 Br2.008 Cl30 N120 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1667","0.1249","","","0.3228","0.3585","","","","","","1.074","","","","has coordinates,has disorder","138479","2020-10-21","18:00:00",""
"1519436","7.792","0.003","8.315","0.003","16.462","0.006","97.337","0.005","96.252","0.005","90.184","0.004","1051.4","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0523","0.0404","","","0.1014","0.1076","","","","","","1.027","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519437","5.4158","0.0007","5.4438","0.0007","35.809","0.004","90","","93.3655","0.0017","90","","1053.9","0.2","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","0.5","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0537","0.0533","","","0.1351","0.1354","","","","","","1.214","","","","has coordinates,has disorder","143354","2020-10-21","18:00:00",""
"1519438","7.9735","0.0009","8.3877","0.001","16.775","0.002","95.611","0.004","95.889","0.004","90.377","0.003","1110.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","DS157","","","- C8 H20 Br8 N2 Pb -","- C8 H20 Br8 N2 Pb -","- C16 H40 Br16 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.71073","","","0.0593","0.0401","","","0.1027","0.1119","","","","","","1.051","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519439","9.1167","0.0001","7.9295","0.0001","11.3854","0.0008","90","","105.727","0.007","90","","792.25","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 F3 N S -","- C17 H18 F3 N S -","- C34 H36 F6 N2 S2 -","2","1","","Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong","Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst","Chem. Sci.","2015","6","7","4184","","10.1039/C5SC00878F","","","1.54187","CuKα","","0.0501","0.0436","","","0.1147","0.1223","","","","","","1.11","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519440","8.7857","0.0006","16.2342","0.0007","17.0357","0.001","90","","90","","90","","2429.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br O4 -","- C28 H27 Br O4 -","- C112 H108 Br4 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.71073","MoKα","","0.0456","0.0345","","","0.0694","0.0727","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519441","22.183","0.011","7.95","0.003","15.744","0.008","90","","122.929","0.005","90","","2330.5","1.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.7107","MoKα","","0.0497","0.0373","","","0.0947","0.1022","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519442","16.4315","0.0012","18.87","0.0014","30.286","0.002","90","","90","","90","","9390.5","1.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C272 H348 Cl20 Cu20 N64 O192 P8 -","4","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","1.54178","CuKα","","0.0318","0.0291","","","0.071","0.0723","","","","","","1.025","","","","has coordinates","143364","2020-10-21","18:00:00",""
"1519443","17.821","0.002","49.945","0.005","18.529","0.002","90","","108.269","0.006","90","","15661","3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 -","- C219 H207 Cu15 F45 N48 O117.666 P6 S15 -","- C438 H414 Cu30 F90 N96 O235.332 P12 S30 -","2","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","0.71073","MoKα","","0.0621","0.0514","","","0.1454","0.1564","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519454","9.5159","0.0019","9.961","0.002","14.355","0.003","72.77","0.03","70.85","0.03","66.35","0.03","1155.9","0.5","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Cl2 O4 P2 Pd -","- C54 H46 Cl2 O4 P2 Pd -","- C54 H46 Cl2 O4 P2 Pd -","1","0.5","","Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher","Pd-complex driven formation of single-chain nanoparticles","Polym. Chem.","2015","6","24","4358","","10.1039/C5PY00389J","","","0.71073","MoKα","","0.0421","0.0315","","","0.0735","0.0756","","","","","","0.955","","","","has coordinates","143769","2020-10-21","18:00:00",""
"1519455","10.118","0.002","14.622","0.003","17.316","0.004","89.46","0.03","87.53","0.03","73.09","0.03","2448.8","1","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl2 O4 P2 Pd -","- C56 H50 Cl2 O4 P2 Pd -","- C112 H100 Cl4 O8 P4 Pd2 -","2","1","","Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher","Pd-complex driven formation of single-chain nanoparticles","Polym. Chem.","2015","6","24","4358","","10.1039/C5PY00389J","","","0.71073","MoKα","","0.0556","0.0322","","","0.0654","0.0745","","","","","","0.866","","","","has coordinates,has disorder","143769","2020-10-21","18:00:00",""
"1519498","9.8924","0.0006","10.291","0.0007","15.6015","0.0006","91.437","0.004","94.959","0.004","101.331","0.005","1550.05","0.16","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N O -","- C41 H37 N O -","- C82 H74 N2 O2 -","2","1","","Deng, Haiqin; Hu, Rongrong; Leung, Anakin C. S.; Zhao, Engui; Lam, Jacky W. Y.; Tang, Ben Zhong","Construction of regio- and stereoregular poly(enaminone)s by multicomponent tandem polymerizations of diynes, diaroyl chloride and primary amines","Polym. Chem.","2015","6","24","4436","","10.1039/C5PY00477B","","x-ray","1.5418","CuKα","","0.0546","0.0453","","","0.12","0.127","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519634","35.1081","0.0009","14.6516","0.0002","31.3279","0.0008","90","","101.649","0.002","90","","15782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C63.2 H72.55 I6 N13.06 Zn3 -","- C63.197 H72.553 I6 N13.062 Zn3 -","- C505.576 H580.424 I48 N104.496 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0829","0.058","","","0.1602","0.1852","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519635","35.2721","0.0009","14.6427","0.0002","31.6037","0.0009","90","","102.029","0.002","90","","15964.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.26 H61.53 I6 N14 Zn3 -","- C60.2635 H61.526 I6 N14 Zn3 -","- C482.108 H492.208 I48 N112 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0899","0.0651","","","0.1864","0.2139","","","","","","1.019","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519636","34.8299","0.0007","14.9133","0.0002","31.5387","0.0006","90","","102.403","0.002","90","","15999.8","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H64 I12.04 N24 S0.5 Zn6 -","- C84.5 H64 I12.036 N24 S0.5 Zn6 -","- C338 H256 I48.144 N96 S2 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0754","0.0598","","","0.1854","0.2036","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519637","34.4391","0.0011","15.0959","0.0003","29.9556","0.001","90","","101.454","0.003","90","","15263.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87.64 H68.04 I12 N24 S0.62 Zn6 -","- C87.61 H68.024 I12 N24 S0.622 Zn6 -","- C350.44 H272.096 I48 N96 S2.488 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.1034","0.0749","","","0.2307","0.2612","","","","","","1.036","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519638","34.2","0.003","15.1265","0.0013","31.003","0.003","90","","102.385","0.001","90","","15665","2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C342.4 H253.2 I48 N96 O6.8 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1378","0.0978","","","0.2817","0.3129","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519639","34.627","0.004","15.0818","0.0016","31.194","0.003","90","","102.792","0.001","90","","15886","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86.95 H64.82 I12 N24 O1.87 Zn6 -","- C86.9504 H64.8192 I12 N24 O1.8688 Zn6 -","- C347.802 H259.277 I48 N96 O7.4752 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1088","0.0745","","","0.224","0.2548","","","","","","1.048","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519640","10.6728","0.0003","15.0865","0.0004","21.8147","0.0006","90","","93.643","0.003","90","","3505.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 1,4,2-diazaphospholidine-3,5-dionide","","- C34 H50 N2 Na O4 P -","- C34 H50 N2 Na O4 P -","- C136 H200 N8 Na4 O16 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.1386","0.0747","","","0.1273","0.1523","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519641","19.3693","0.0013","14.6742","0.001","21.9183","0.0017","90","","111.339","0.002","90","","5802.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 Na O5 P -","- C24 H44 N4 Na O5 P -","- C192 H352 N32 Na8 O40 P8 -","8","2","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.0783","0.0503","","","0.1097","0.1234","","","","","","1.027","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1519642","10.4709","0.0003","17.4983","0.0005","18.6976","0.0005","90","","90","","90","","3425.83","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 N4 Na O6 P -","- C32 H54 N4 Na O6 P -","- C128 H216 N16 Na4 O24 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.046","0.0409","","","0.0926","0.1001","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519643","10.7457","0.0002","17.6496","0.0003","21.5074","0.0003","90","","99.87","0.001","90","","4018.66","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)][PC2O2(NDipp)2]","","- C38 H58 K N2 O8 P -","- C38 H58 K N2 O8 P -","- C152 H232 K4 N8 O32 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.0663","0.0627","","","0.1822","0.1859","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519644","13.233","0.0003","19.9093","0.0004","13.5733","0.0003","90","","115.271","0.003","90","","3233.79","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][P{(CO)2[N(Dipp)]2}2]","","- C64 H92 K N4 O10 P -","- C64 H92 K N4 O10 P -","- C128 H184 K2 N8 O20 P2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","","","0.055","0.0458","","","0.1096","0.1168","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519645","11.0343","0.0003","12.2286","0.0003","17.5339","0.0005","77.103","0.005","85.701","0.006","69.694","0.005","2162.9","0.13","20","2","20.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.35312","","","0.0593","0.0445","","","0.117","0.1299","","","","","","0.949","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519646","11.0141","0.0005","12.2286","0.0005","17.5325","0.0007","77.161","0.004","85.753","0.003","69.723","0.004","2159.67","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.041","0.0359","","","0.0809","0.0842","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519647","11.087","0.0007","12.2243","0.0009","18.3363","0.0013","79.664","0.003","85.44","0.003","68.727","0.002","2277.9","0.3","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.0414","0.0362","","","0.092","0.0961","","","","","","1.196","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519705","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519706","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519707","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519708","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519709","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519710","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519711","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519712","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519713","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519714","12.741","0.0012","16.6787","0.0016","20.596","0.002","102.918","0.002","90.565","0.002","106.517","0.002","4077.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H33 D6 N O5 -","- C56 H33 D6 N O5 -","- C224 H132 D24 N4 O20 -","4","2","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.1079","0.0504","","","0.0824","0.0971","","","","","","0.867","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519715","8.0214","0.0014","18.267","0.003","21.084","0.004","90","","90","","90","","3089.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 N O4 -","- C42 H29 N O4 -","- C168 H116 N4 O16 -","4","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0573","0.034","","","0.0364","0.0403","","","","","","0.804","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519716","9.7344","0.0015","12.477","0.002","16.268","0.003","91.644","0.003","99.097","0.003","94.093","0.003","1944.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 N O4 -","- C54 H36 N O4 -","- C108 H72 N2 O8 -","2","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0503","0.0419","","","0.1107","0.1157","","","","","","1.069","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519717","13.1832","0.0015","16.891","0.002","20.072","0.003","67.256","0.007","76.552","0.008","73.916","0.008","3920.8","0.9","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H76 B F24 P Ru S Si2 -","- C78 H76 B F24 P Ru S Si2 -","- C156 H152 B2 F48 P2 Ru2 S2 Si4 -","2","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0607","","","","0.1722","","","","","","1.077","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519718","13.56","0.003","27.705","0.004","18.609","0.004","90","","102.006","0.003","90","","6838","2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 B F24 P Ru S Si -","- C66 H64 B F24 P Ru S Si -","- C264 H256 B4 F96 P4 Ru4 S4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0835","","","","0.2803","","","","","","1.045","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519719","16.929","0.003","18.161","0.003","16.113","0.003","90","","97.045","0.004","90","","4916.5","1.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B F24 O P Si -","- C46 H38 B F24 O P Si -","- C184 H152 B4 F96 O4 P4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si–H bond activation at Ru–S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0949","","","","0.3038","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519720","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519721","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519722","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519723","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519724","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519725","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519726","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519727","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519728","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519764","10.7542","0.0004","11.2346","0.0006","13.4066","0.0006","90","","90","","90","","1619.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng","Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)–H bonds of aliphatic amine substrates","Chem. Sci.","2015","6","8","4610","","10.1039/C5SC00519A","","","0.71073","MoKα","","0.0536","0.0407","","","0.0827","0.0885","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519852","10.701","0.0002","27.6694","0.0005","11.1215","0.0003","90","","98.764","0.001","90","","3254.52","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3',6,6'-Tetra-tert-butyl-1,1',9,9'-bicarbazole","","- C40 H46 N2 -","- C40 H46 N2 -","- C160 H184 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.051","0.0413","","","0.108","0.1137","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519853","15.047","0.003","24.399","0.005","13.754","0.003","90","","108.9","0.03","90","","4777.3","1.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H51 I6 N2 -","- C46 H51 I6 N2 -","- C184 H204 I24 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.0544","0.035","","","0.0754","0.0824","","","","","","1.029","","","","has coordinates,has disorder","143350","2020-10-21","18:00:00",""
"1519854","13.312","0.003","18.813","0.004","15.401","0.004","90","","97.762","0.005","90","","3821.7","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetrabutyl-tetrahydro-tetramethylbiacridine","","- C46 H58 N2 -","- C46 H58 N2 -","- C184 H232 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N–N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.1403","0.0893","","","0.2123","0.2496","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519855","30.6695","0.0011","12.1512","0.0005","23.0584","0.0009","90","","119.572","0.0009","90","","7473.9","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tetracarbazole","","- C86 H108 N4 -","- C80 H94 N4 -","- C320 H376 N16 -","4","0.5","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71075","MoKα","","0.1039","0.0756","","","0.2126","0.2301","","","","","","1.425","","","","has coordinates","143350","2020-10-21","18:00:00",""
"1519925","24.5063","0.0004","24.5063","0.0004","24.5063","0.0004","90","","90","","90","","14717.5","0.4","99","2","99","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C80 H56 Co7 F18 N16 O18 Si -","- C80.04 H56.04 Co7 F18 N15.96 O18 Si -","- C320.16 H224.16 Co28 F72 N63.84 O72 Si4 -","4","0.166667","","Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.","Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster","Chem. Sci.","2015","6","8","4784","","10.1039/C5SC01515D","","","1.54178","CuKα","","0.1276","0.099","","","0.2948","0.3245","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519926","10.6748","0.0004","11.9906","0.0005","19.6875","0.0008","101.316","0.002","101.953","0.0017","103.763","0.0017","2313.24","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0434","0.0348","","","0.0871","0.0921","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519927","10.7956","0.0011","12.0991","0.0013","19.834","0.002","102.162","0.006","101.446","0.005","104.036","0.005","2370.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0765","0.0422","","","0.1102","0.1315","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519928","9.8997","0.0009","10.812","0.001","12.1278","0.0011","104.002","0.005","102.27","0.005","101.408","0.005","1187.5","0.2","305","2","305","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","1","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0518","0.0354","","","0.0825","0.0917","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519929","16.5308","0.0006","11.7257","0.0004","18.9821","0.0007","90","","107.445","0.002","90","","3510.2","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H94 Co N2 O4 -","- C82 H94 Co N2 O4 -","- C164 H188 Co2 N4 O8 -","2","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0473","0.0394","","","0.0939","0.0998","","","","","","1.112","","","","has coordinates,has disorder","153080","2020-10-21","18:00:00",""
"1519930","10.9013","0.0002","12.0601","0.0002","25.222","0.0005","90","","90","","90","","3315.96","0.11","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","RSnH3","","","- C18 H26 Sn0.5 -","- C18 H26 Sn0.5 -","- C144 H208 Sn4 -","8","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.026","0.0208","","","0.0557","0.0584","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519931","12.7122","0.0005","15.3521","0.0006","22.5773","0.0009","84.881","0.002","89.932","0.002","82.556","0.002","4351.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H134 N2 Sn2 -","- C89 H134 N2 Sn2 -","- C178 H268 N4 Sn4 -","2","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0672","0.0469","","","0.1159","0.1257","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519932","15.9849","0.0004","15.9056","0.0004","17.7408","0.0004","90","","100.754","0.001","90","","4431.37","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripTpSnCpMe5","","","- C48.5 H70 Sn -","- C48.5 H70 Sn -","- C194 H280 Sn4 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0448","0.0303","","","0.0705","0.0767","","","","","","1.011","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519944","29.3901","0.0007","13.5696","0.0004","21.1866","0.0006","90","","105.652","0.003","90","","8136.1","0.4","180.1","0.5","180.1","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 Cl2 F12 N2 O6 -","- C35 H36 Cl2 F12 N2 O6 -","- C280 H288 Cl16 F96 N16 O48 -","8","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.5418","CuKα","","0.0968","0.0848","","","0.2596","0.2851","","","","","","1.092","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519945","10.4318","0.00015","18.5656","0.0003","17.6555","0.0003","90","","90.817","0.0013","90","","3419.04","0.09","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N4 O9 -","- C33 H42 N4 O9 -","- C132 H168 N16 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.0426","0.0377","","","0.1295","0.137","","","","","","1.106","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519946","11.9175","0.0004","19.021","0.0005","17.226","0.0006","90","","108.787","0.004","90","","3696.8","0.2","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F12 N2 O9 -","- C32 H32 F12 N2 O9 -","- C128 H128 F48 N8 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","0.7107","MoKα","","0.0679","0.0505","","","0.1211","0.133","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:55",""
"1519947","9.5715","0.0003","18.5858","0.0004","23.8686","0.0008","67.485","0.003","81.597","0.003","88.411","0.002","3878.5","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O4 -","- C45 H38 Cl2 N4 O4 -","- C180 H152 Cl8 N16 O16 -","4","2","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.071","0.054","","","0.1355","0.1496","","","","","","1.011","","","","has coordinates","153070","2020-10-21","18:00:00",""
"1520035","14.2177","0.0003","22.9278","0.0005","14.5428","0.0004","90","","105.118","0.002","90","","4576.6","0.19","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C152 H136 Cl24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0629","0.0441","","","0.106","0.1197","","","","","","1.062","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520036","14.1914","0.0005","23.0061","0.0007","14.788","0.0005","90","","104.703","0.003","90","","4670","0.3","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C152 H136 Br24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0798","0.0616","","","0.1635","0.1765","","","","","","1.082","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520037","14.1613","0.0004","23.0839","0.0006","14.8676","0.0005","90","","104.296","0.003","90","","4709.7","0.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C152 H136 Br24 Cr4 Ga4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0966","0.0543","","","0.1201","0.1394","","","","","","1.003","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520038","9.7172","0.0019","11.762","0.002","19.84","0.004","90","","99.84","0.03","90","","2234.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure–property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.0831","0.0475","","","0.119","0.1482","","","","","","1.062","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520039","9.591","0.0015","14.916","0.002","15.744","0.003","90","","91.79","0.002","90","","2251.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure–property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1181","0.0691","","","0.1944","0.2363","","","","","","1.047","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520040","10.6774","0.0005","10.7451","0.0007","12.3472","0.0007","107.453","0.006","103.856","0.005","103.585","0.005","1238.02","0.15","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C52 H44 Br4 N4 O8 -","2","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure–property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","x-ray","1.5418","CuKα","","0.0597","0.0539","","","0.1513","0.1591","","","","","","1.002","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520041","12.571","0.003","13.241","0.003","15.845","0.003","87.14","0.03","76.74","0.03","74.96","0.03","2479.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C104 H88 Br8 N8 O16 -","4","2","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure–property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1918","0.1112","","","0.2164","0.2485","","","","","","1.002","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520042","11.755","0.003","20.78","0.005","21.031","0.005","90","","90","","90","","5137","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C208 H176 Br16 N16 O32 -","8","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure–property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1609","0.0552","","","0.1063","0.1446","","","","","","0.994","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520043","13.5422","0.0013","19.675","0.0019","10.2805","0.001","90","","100.796","0.003","90","","2690.7","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 190","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0359","0.0236","","","0.0491","0.0529","","","","","","1.015","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520044","14.5095","0.0015","20.268","0.002","9.5541","0.001","90","","97.192","0.005","90","","2787.6","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 290","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0369","","","0.0742","0.0893","","","","","","0.991","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520045","15.6181","0.0016","15.7722","0.0016","10.6301","0.0011","90","","95.137","0.005","90","","2608","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 170","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0649","0.0423","","","0.0967","0.108","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520046","15.6347","0.0016","15.989","0.0016","10.646","0.0011","90","","95.252","0.005","90","","2650.1","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 250","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0511","","","0.1063","0.1232","","","","","","1.071","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520047","14.4187","0.0014","19.4064","0.0019","9.7692","0.0009","90","","95.552","0.005","90","","2720.7","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 270","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0779","0.0404","","","0.0921","0.1152","","","","","","1.032","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520048","14.4","0.006","19.51","0.008","9.757","0.004","90","","95.784","0.015","90","","2727.2","1.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 290","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.094","0.0446","","","0.1128","0.1384","","","","","","1.009","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520049","8.982","0.0009","12.5271","0.0013","26.146","0.003","84.5","0.005","89.331","0.005","74.563","0.005","2822.4","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 190","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0405","0.0293","","","0.0551","0.0597","","","","","","1.119","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520050","9.048","0.0009","12.5933","0.0013","26.305","0.003","83.815","0.005","89.271","0.005","75.005","0.005","2878","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 290","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0703","0.0324","","","0.0684","0.0812","","","","","","1.011","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520051","5.9077","0.0007","7.4479","0.0009","21.752","0.003","90","","90","","90","","957.1","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 170","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.0923","0.0496","","","0.1091","0.1285","","","","","","1.04","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520052","5.911","0.009","7.496","0.011","21.82","0.03","90","","90","","90","","967","2","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 290","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.1081","0.0549","","","0.121","0.1439","","","","","","1.002","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520069","10.9222","0.0005","11.7618","0.0005","17.7375","0.0008","90","","90","","90","","2278.64","0.18","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","wb11aug14",": (iPrPNMeP)FeCl2","","- C17 H39 Cl2 Fe N P2 -","- C17 H39 Cl2 Fe N P2 -","- C68 H156 Cl8 Fe4 N4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0204","0.0185","","","0.0442","0.045","","","","","","1.004","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520070","31.925","0.003","7.968","0.0008","21.06","0.002","90","","121.335","0.003","90","","4575.8","0.8","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","wb13aug14","(iPrPNMeP)Fe(H)BH4","","- C17 H44 B Fe N P2 -","- C17 H44 B Fe N P2 -","- C136 H352 B8 Fe8 N8 P16 -","8","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0996","0.0718","","","0.1767","0.1962","","","","","","0.997","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520071","8.4128","0.0006","31.269","0.002","9.8709","0.0009","90","","114.779","0.002","90","","2357.6","0.3","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wb10dec14","3a","","- C18 H44 B Fe N O P2 -","- C18 H44 B Fe N O P2 -","- C72 H176 B4 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0309","0.0279","","","0.0704","0.0718","","","","","","1.082","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520072","8.0283","0.0008","12.8902","0.0012","21.842","0.002","90","","98.351","0.007","90","","2236.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4a1","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71075","MoKα","","0.0693","0.0496","","","0.0952","0.1011","","","","","","1.112","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520073","11.5836","0.0004","15.4917","0.0005","13.1032","0.0005","90","","110.887","0.001","90","","2196.85","0.13","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb11feb15","4a2","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0462","0.0343","","","0.122","0.1352","","","","","","1.076","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520074","11.736","0.003","11.736","0.003","16.678","0.005","90","","90","","90","","2297.1","1.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","wb12feb15_2","5a","","- C19 H41 Fe N O3 P2 -","- C19 H41 Fe N O3 P2 -","- C76 H164 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.2182","0.0883","","","0.1222","0.1515","","","","","","1.014","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520075","15.4197","0.0008","12.0975","0.0006","16.0962","0.0008","90","","114.498","0.001","90","","2732.3","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb06nov14","CO2-1a","","- C23 H49 Fe N O3 P2 -","- C23 H49 Fe N O3 P2 -","- C92 H196 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0509","0.0401","","","0.1021","0.1092","","","","","","0.979","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520213","10.283","0.002","10.474","0.002","20.857","0.004","95.09","0.03","94.25","0.03","96.25","0.03","2216.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N12 O2 Zn4 -","- C46 H40 N12 O2 Zn4 -","- C92 H80 N24 O4 Zn8 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.1253","0.1133","","","0.2773","0.2831","","","","","","1.121","","","","has coordinates,has disorder","301777","2025-08-18","15:08:06",""
"1520214","10.828","0.005","13.677","0.005","14.95","0.007","90.64","0.02","106.555","0.018","95.534","0.017","2110.6","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B9 Cu N2 O P2 -","- C42 H48 B9 Cu N2 O P2 -","- C84 H96 B18 Cu2 N4 O2 P4 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.0336","0.0333","","","0.092","0.0923","","","","","","1.058","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520215","15.5324","0.0006","15.5957","0.0006","20.6244","0.0009","90","","98.789","0.0018","90","","4937.4","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 B9 Cl2 Cu N2 P2 -","- C53 H52 B9 Cl2 Cu N2 P2 -","- C212 H208 B36 Cl8 Cu4 N8 P8 -","4","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.067","0.0603","","","0.1666","0.172","","","","","","1.103","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520226","6.4782","0.0013","9.5193","0.0019","14.311","0.003","90","","90","","90","","882.5","0.3","153","2","153","2","","","","","","","","4","P m n a","-P 2ac 2","53","dimethyl melamine hydrochloride","Mela-DM?HCl","","- C5 H11 Cl N6 -","- C5 H11 Cl N6 -","- C20 H44 Cl4 N24 -","4","0.5","","Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi","Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method","Chem. Sci.","2015","6","8","4907","","10.1039/C5SC01631B","","","0.71073","MoKα","","0.0476","0.0355","","","0.092","0.1214","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520227","18.4232","0.0006","13.0618","0.0004","25.9802","0.0008","90","","99.53","0.001","90","","6165.6","0.3","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 B F24 Fe N P3 -","- C58 H55 B F24 Fe N P3 -","- C232 H220 B4 F96 Fe4 N4 P12 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.078","0.0476","","","0.1109","0.1273","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520228","19.963","0.005","17.492","0.006","19.586","0.006","90","","93.869","0.014","90","","6824","4","203","2","203","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C61 H60 B F24 Fe N O P3 -","- C61 H60 B F24 Fe N O P3 -","- C244 H240 B4 F96 Fe4 N4 O4 P12 -","4","0.5","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0899","0.0681","","","0.1825","0.1923","","","","","","1.155","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520229","19.6517","0.0007","12.5655","0.0004","25.3645","0.0007","90","","109.745","0.001","90","","5895.1","0.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F24 Fe N2 P2 -","- C58 H45 B F24 Fe N2 P2 -","- C232 H180 B4 F96 Fe4 N8 P8 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0958","0.0576","","","0.1512","0.1782","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520230","10.2138","0.0008","10.6014","0.0008","12.4208","0.001","88.674","0.004","67.062","0.003","89.687","0.004","1238.24","0.17","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Fe N2 P2 -","- C26 H32 Fe N2 P2 -","- C52 H64 Fe2 N4 P4 -","2","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0663","0.0579","","","0.1692","0.1766","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520452","3.9114","0.0004","20.5945","0.0006","22.458","0.001","90","","91.758","0.006","90","","1808.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N4 O -","- C24 H17 N4 O -","- C96 H68 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0414","0.0378","","","0.0974","0.1009","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520453","11.7763","0.0013","5.828","0.0003","16.1543","0.0009","90","","104.773","0.006","90","","1072.06","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N4 O -","- C28 H19 N4 O -","- C56 H38 N8 O2 -","2","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0741","0.0576","","","0.1505","0.1681","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520454","7.474","0.0008","9.2641","0.0005","35.865","0.0018","90","","91.227","0.005","90","","2482.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O -","- C32 H26 N4 O -","- C128 H104 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals – synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0559","0.0418","","","0.0967","0.1051","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520455","11.2158","0.0003","10.0647","0.0003","24.8459","0.0006","90","","97.414","0.002","90","","2781.25","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O -","- C36 H28 N4 O -","- C144 H112 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals – synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.051","0.0472","","","0.1397","0.145","","","","","","1.031","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520456","9.1964","0.001","13.4028","0.0016","15.611","0.0017","90","","90","","90","","1924.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N O2 -","- C21 H17 Br F3 N O2 -","- C84 H68 Br4 F12 N4 O8 -","4","1","","Zhang, Xiao; Liu, Wen-Bo; Tu, Hang-Fei; You, Shu-Li","Ligand-enabled Ir-catalyzed intermolecular diastereoselective and enantioselective allylic alkylation of 3-substituted indoles","Chem. Sci.","2015","6","8","4525","","10.1039/C5SC01772F","","","0.71073","MoKα","","0.0963","0.0419","","","0.0797","0.0953","","","","","","0.946","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520493","11.0341","0.0004","12.5779","0.0004","13.0044","0.0005","82.865","0.002","88.796","0.002","66.687","0.002","1643.85","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj274","","","- C30 H26 Co F6 N6 O7 S2 -","- C30 H26 Co F6 N6 O7 S2 -","- C60 H52 Co2 F12 N12 O14 S4 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0523","0.0373","","","0.0761","0.0832","","","","","","1.044","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520494","13.0156","0.0007","12.7488","0.0007","22.3963","0.0012","90","","92.294","0.001","90","","3713.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj284","","","- C29 H35 F6 N7 O12 S2 Zn -","- C29 H35 F6 N7 O12 S2 Zn -","- C116 H140 F24 N28 O48 S8 Zn4 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0417","0.04","","","0.1066","0.1081","","","","","","1.038","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520495","12.4657","0.0011","15.6171","0.0014","21.316","0.0019","90","","91.047","0.001","90","","4149.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj273","","","- C36 H42 Co F6 N6 O11 S2 -","- C36 H42 Co F6 N6 O11 S2 -","- C144 H168 Co4 F24 N24 O44 S8 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0307","0.0288","","","0.0723","0.0737","","","","","","1.033","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520496","14.707","0.003","21.388","0.004","25.657","0.005","67.683","0.003","75.282","0.003","89.683","0.003","7184","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj278","","","- C30 H30 F6 N6 O11 S2 Zn -","- C30 H30 F6 N6 O11 S2 Zn -","- C240 H240 F48 N48 O88 S16 Zn8 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0954","0.0603","","","0.1791","0.2152","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520497","11.0677","0.0005","13.3087","0.0006","13.5558","0.0006","71.591","0.001","78.668","0.001","67.235","0.001","1740.65","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj279","","","- C30 H32.5 F6 N6 O10 S2 Zn -","- C30 H32.5 F6 N6 O10 S2 Zn -","- C60 H65 F12 N12 O20 S4 Zn2 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0408","0.0341","","","0.0814","0.0856","","","","","","1.054","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520498","13.2461","0.0004","20.9848","0.0006","26.9609","0.0008","111.361","0.001","96.713","0.001","94.455","0.001","6872.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj280","","","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C232 H220 Co8 F48 N56 O74 S16 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0741","0.0579","","","0.1369","0.1488","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520502","22.674","0.003","10.0584","0.0012","13.4593","0.0016","90","","99.514","0.009","90","","3027.4","0.7","372","2","372","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F4 N4 O4 -","- C37 H20 F4 N4 O4 -","- C148 H80 F16 N16 O16 -","4","1","","Zhang, Jian; Jin, Jianyong; Cooney, Ralph; Fu, Qiang; Qiao, Greg G.; Thomas, Sylvie; Merkel, Tim C.","Synthesis of perfectly alternating copolymers for polymers of intrinsic microporosity","Polym. Chem.","2015","6","28","5003","","10.1039/C5PY00570A","","","0.71073","MoKα","","0.1625","0.0728","","","0.1649","0.2117","","","","","","1.011","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520524","21.3561","0.0004","19.4016","0.0003","14.9635","0.0002","90","","90","","90","","6200.01","0.17","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H69 N6 O25 P2 Ru -","- C53 H56 N6 O25 P2 Ru -","- C212 H224 N24 O100 P8 Ru4 -","4","0.5","","Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design","Chem. Sci.","2015","6","10","5531","","10.1039/C5SC01439E","","","1.54178","CuKα","","0.0778","0.068","","","0.1842","0.1922","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520525","12.956","0.003","13.122","0.003","13.752","0.003","84.973","0.003","67.595","0.003","83.245","0.003","2144.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34 H20 Co2 N2 O8 -","- C68 H40 Co4 N4 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0801","0.0534","","","0.127","0.1375","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520526","7.7116","0.0007","10.2889","0.001","11.0085","0.001","71.43","0.001","86.282","0.001","82.265","0.001","820.22","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.072","0.0492","","","0.1217","0.1331","","","","","","1.062","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520527","12.9698","0.0012","13.1304","0.0012","13.7579","0.0013","85.041","0.001","68.014","0.001","83.544","0.002","2156.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34.01 H20.008 Co2 N2.002 O8 -","- C68.02 H40.016 Co4 N4.004 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0487","0.0391","","","0.0989","0.1023","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520528","7.6397","0.0012","10.4311","0.0017","10.9968","0.0018","71.121","0.012","87.061","0.012","83.361","0.012","823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1276","0.0958","","","0.2632","0.2806","","","","","","1.087","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520529","17.173","0.006","19.784","0.007","13.887","0.005","90","","95.771","0.004","90","","4694","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0938","0.0615","","","0.1659","0.184","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520530","17.0391","0.0008","20.0278","0.001","13.8334","0.0007","90","","96.243","0.003","90","","4692.7","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1141","0.0588","","","0.1373","0.1654","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520533","7.5962","0.0004","8.0111","0.0004","10.4017","0.0006","111.355","0.0006","93.168","0.0007","90.2112","0.0006","588.43","0.05","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0417","0.036","","","0.0944","0.0994","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520534","7.9466","0.0005","14.9541","0.001","16.2556","0.0011","78.9198","0.0008","79.5663","0.0009","82.7612","0.0009","1856","0.2","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C80 H80 N16 O16 -","4","4","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0413","0.0377","","","0.0925","0.0955","","","","","","1.025","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520535","24.1082","0.0009","18.137","0.0007","16.7624","0.0007","90","","106.002","0.004","90","","7045.4","0.5","150","1","150","1","","","","","","","University of Manchester","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 N4 S2 -","- C41 H46 N4 S2 -","- C328 H368 N32 S16 -","8","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.71073","MoKα","","0.0855","0.0613","","0.1513","0.1366","0.1513","","","","","","0.9999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520536","41.594","0.0009","41.594","0.0009","13.1413","0.0006","90","","90","","90","","22735.2","1.2","149.99","0.19","149.99","0.19","","","","","","","University of Manchester","5","I 41/a :2","-I 4ad","88","","","","- C65 H64 B2 N4 S2 -","- C65 H64 B2 N4 S2 -","- C1040 H1024 B32 N64 S32 -","16","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.7107","MoKα","","0.0778","0.06","","0.1619","0.152","0.1619","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520537","14.5445","0.0003","22.7136","0.0006","19.7133","0.0005","90","","98.039","0.002","90","","6448.4","0.3","100","","100","","","","","","","","University of Manchester","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B2 F20 N4 O2 S2 -","- C71 H56 B2 F20 N4 O2 S2 -","- C284 H224 B8 F80 N16 O8 S8 -","4","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor–acceptor organic semiconductors by benzothiadiazole directed C–H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0992","0.0724","","0.2067","0.1884","0.2067","","","","","","0.9865","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520538","6.3487","0.0006","16.1168","0.0015","19.3671","0.0017","74.649","0.008","85.857","0.008","83.373","0.008","1896.4","0.3","220","","220","","","","","","","","University of Manchester","5","P -1","-P 1","2","","","","- C42 H49 B N2 S3 -","- C42 H49 B N2 S3 -","- C84 H98 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor–acceptor organic semiconductors by benzothiadiazole directed C–H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.1482","0.1185","","0.3498","0.3212","0.3498","","","","","","0.9336","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520539","6.524","0.0006","13.6675","0.0011","18.0034","0.0017","98.64","0.007","95.792","0.008","101.67","0.008","1539.9","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","6,6-dimethyl-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C32 H45 B N2 S3 -","- C32 H45 B N2 S3 -","- C64 H90 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor–acceptor organic semiconductors by benzothiadiazole directed C–H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","x-ray","1.54184","CuKα","","0.1247","0.0868","","","0.2351","0.2689","","","","","","1.048","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520540","10.2773","0.0004","12.1331","0.0004","14.8059","0.0004","65.908","0.002","79.793","0.002","68.09","0.002","1563","0.1","250","","250","","","","","","","","University of Manchester","6","P -1","-P 1","2","","6,6-dibromo-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C30 H39 B Br2 N2 S3 -","- C30 H39 B Br2 N2 S3 -","- C60 H78 B2 Br4 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor–acceptor organic semiconductors by benzothiadiazole directed C–H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0739","0.0662","","0.1739","0.1625","0.1734","","","","","","0.9579","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520543","8.3781","0.0002","14.3827","0.0002","19.3153","0.0003","90","","90","","90","","2327.49","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Au Br F3 P -","- C25 H20 Au Br F3 P -","- C100 H80 Au4 Br4 F12 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0253","0.0234","","","0.0542","0.0549","","","","","","1.062","","","","has coordinates","170928","2020-10-21","18:00:00",""
"1520544","11.2208","0.0016","16.168","0.003","17.031","0.003","90","","108.049","0.019","90","","2937.7","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au2 Br Cl2 F6 P -","- C27 H22 Au2 Br Cl2 F6 P -","- C108 H88 Au8 Br4 Cl8 F24 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","x-ray","0.71073","MoKα","","0.1135","0.0813","","","0.2471","0.2633","","","","","","1.06","","","","has coordinates,has disorder","170928","2020-10-21","18:00:00",""
"1520545","11.61","0.0003","23.9064","0.0007","11.1568","0.0003","90","","97.975","0.003","90","","3066.66","0.15","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H40 Au6 Br2 F18 O2 P2 -","- C56 H40 Au6 Br2 F18 O2 P2 -","- C112 H80 Au12 Br4 F36 O4 P4 -","2","0.25","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0432","0.0337","","","0.0849","0.0877","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520580","13.8521","0.0002","24.7127","0.0003","22.886","0.0004","90","","93.263","0.001","90","","7821.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H118 Al3 N6 O6 -","- C84 H118 Al3 N6 O6 -","- C336 H472 Al12 N24 O24 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0763","0.0477","","","0.1079","0.1224","","","","","","1.015","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520581","9.9462","0.0012","10.3018","0.0011","12.8708","0.0015","90","","108.547","0.014","90","","1250.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Al N2 O2 -","- C27 H37 Al N2 O2 -","- C54 H74 Al2 N4 O4 -","2","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0463","0.0382","","","0.0795","0.0828","","","","","","1.028","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520582","8.0191","0.0002","13.4769","0.0003","25.379","0.0008","90","","90","","90","","2742.77","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C116 H164 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0442","0.0388","","","0.0923","0.0945","","","","","","1.055","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520583","16.6845","0.001","19.6643","0.001","12.0401","0.0007","90","","99.106","0.006","90","","3900.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Al N2 O3 -","- C41 H65 Al N2 O3 -","- C164 H260 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.1342","0.0773","","","0.1651","0.2001","","","","","","1.052","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520584","14.0484","0.0001","13.4118","0.0001","16.8344","0.0001","90","","101.404","0.001","90","","3109.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0427","0.0394","","","0.1042","0.1081","","","","","","1.042","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520585","10.3884","0.0001","10.3884","0.0001","28.732","0.0004","90","","90","","90","","3100.72","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0851","0.0845","","","0.2228","0.2237","","","","","","1.065","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520586","10.39461","0.00005","10.39461","0.00005","28.7569","0.0002","90","","90","","90","","3107.12","0.03","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0539","0.0539","","","0.1366","0.1367","","","","","","1.04","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520587","26.2561","0.0001","26.2561","0.0001","26.2561","0.0001","90","","90","","90","","18100.5","0.12","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C31 H45.67 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C696 H984 Al24 N48 O72 -","24","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0633","0.0588","","","0.1671","0.1716","","","","","","1.101","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520588","13.7916","0.0002","12.9946","0.0002","17.548","0.0003","90","","102.79","0.002","90","","3066.86","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 O4 Ti -","- C32 H48 N2 O4 Ti -","- C128 H192 N8 O16 Ti4 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0632","0.0599","","","0.1651","0.1698","","","","","","1.037","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520589","12.658","0.007","10.48","0.006","18.889","0.008","90","","127","0.03","90","","2001","2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C45 H70 Th -","- C45 H70 Th -","- C90 H140 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0783","0.0598","","","0.1288","0.1449","","","","","","1.034","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520590","10.699","0.003","26.148","0.006","17.831","0.004","90","","98.273","0.005","90","","4936","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Th -","- C48 H74 Th -","- C192 H296 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0957","0.0561","","","0.112","0.126","","","","","","0.976","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520591","10.468","0.003","11.297","0.003","18.569","0.005","80.098","0.005","82.085","0.004","78.986","0.005","2110.8","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H72 Th -","- C49 H72 Th -","- C98 H144 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.058","0.0462","","","0.0943","0.1005","","","","","","0.995","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520592","11.109","0.002","21.888","0.005","21.958","0.005","97.052","0.004","90.196","0.004","90.925","0.004","5298","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 N Th -","- C53 H73 N Th -","- C212 H292 N4 Th4 -","4","2","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.1105","0.0822","","","0.2043","0.2183","","","","","","1.031","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520593","15.278","0.003","12.306","0.003","25.718","0.005","90","","90.308","0.004","90","","4835.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H73 N O Th -","- C53 H73 N O Th -","- C212 H292 N4 O4 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0377","0.029","","","0.0648","0.0679","","","","","","1.022","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520594","10.9616","0.0016","11.0914","0.0017","20.157","0.003","77.206","0.003","84.115","0.002","75.93","0.002","2315.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 N O Th -","- C52 H77 N O Th -","- C104 H154 N2 O2 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0646","0.0536","","","0.1229","0.1281","","","","","","1.024","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520595","7.9384","0.0005","7.0246","0.0005","12.9394","0.0008","90","","98.464","0.004","90","","713.7","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EM03-093B","sarpong38","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.0403","0.039","","","0.1064","0.1078","","","","","","1.067","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520596","8.7961","0.0004","9.7026","0.0005","35.0914","0.0018","90","","90","","90","","2994.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EM07-137C","sarpong107","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.066","0.0628","","","0.1563","0.1589","","","","","","1.055","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520597","9.3918","0.0009","13.5329","0.0015","51.624","0.005","90","","90","","90","","6561.3","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C320 H240 Cl20 N20 O20 -","20","5","","Pedroni, J.; Saget, T.; Donets, P. A.; Cramer, N.","Enantioselective palladium(0)-catalyzed intramolecular cyclopropane functionalization: access to dihydroquinolones, dihydroisoquinolones and the BMS-791325 ring system","Chem. Sci.","2015","6","9","5164","","10.1039/C5SC01909E","","","0.71073","MoKα","","0.0373","0.0329","","","0.0669","0.0693","","","","","","1.161","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520598","9.4109","0.0009","10.1841","0.001","11.6538","0.0012","91.036","0.006","102.694","0.006","116.006","0.006","970.92","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","1","0.5","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0908","0.0747","","","0.1935","0.2049","","","","","","1.064","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520599","9.269","0.007","17.342","0.01","11.775","0.011","90","","96.71","0.04","90","","1880","3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N O -","- C20 H31 N O -","- C80 H124 N4 O4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54188","","","0.027","0.024","","","","0.021","","","","","","2.192","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520600","12.8","0.03","13.86","0.04","14.36","0.02","66.45","0.07","79.9","0.04","67.84","0.09","2162","9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.6358","monochromatedX-raysbeamlineX10SA@SLS","","0.0843","0.0692","","","0.1814","0.193","","","","","","1.031","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1520601","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520602","14.6952","0.0006","10.08","0.0004","17.7472","0.0007","90","","109.567","0.002","90","","2477.04","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","carbene stabilized silicondislenide","","- C24 H39 N O Se2 Si -","- C24 H39 N O Se2 Si -","- C96 H156 N4 O4 Se8 Si4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0556","0.0393","","","0.0922","0.1002","","","","","","1.018","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520618","15.6111","0.0001","15.6111","0.0001","10.505","0.0001","90","","90","","90","","2560.14","0.03","150","","150","","","","","","","","","5","P -4","P -4","81","","","","- C56 H100 F N O4 -","- C56 H100 F N O4 -","- C112 H200 F2 N2 O8 -","2","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0574","","0.1565","0.1551","0.1565","","","","","","1.0106","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520619","9.9446","0.0003","18.0891","0.0007","15.7361","0.0006","90","","103.523","0.004","90","","2752.27","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl2 F N O4 -","- C22 H50 Cl2 F N O4 -","- C88 H200 Cl8 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0693","0.0572","","0.1507","0.1408","0.1507","","","","","","0.9859","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520620","9.9133","0.0001","17.3454","0.0003","18.3631","0.0003","90","","90","","90","","3157.54","0.08","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H60 F N O6 -","- C26 H60 F N O6 -","- C104 H240 F4 N4 O24 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0623","0.0431","","0.1057","0.0972","0.1057","","","","","","0.9619","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520621","22.5166","0.0001","14.2863","0.0001","19.8783","0.0001","90","","103.626","0.0005","90","","6214.47","0.06","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H60 F N O4 -","- C26 H60 F N O4 -","- C208 H480 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0556","","0.1516","0.149","0.1516","","","","","","0.9944","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520622","18.978","0.0002","24.2645","0.0002","10.3218","0.0001","90","","90","","90","","4753.1","0.08","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38.39 H77.58 F N O12 -","- C38.388 H77.572 F N O12 -","- C153.552 H310.288 F4 N4 O48 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0675","0.0448","","0.0978","0.0884","0.0978","","","","","","0.9807","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520623","25.1923","0.0001","9.6565","0.0001","10.6715","0.0001","90","","92.2457","0.0005","90","","2594.06","0.04","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H44 F0.5 N0.5 O7 -","- C22 H44 F0.5 N0.5 O7 -","- C88 H176 F2 N2 O28 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0327","0.0326","","0.0889","0.0889","0.0889","","","","","","1.0044","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520624","18.6017","0.0003","18.6158","0.0003","19.1084","0.0003","90","","90","","90","","6616.96","0.18","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H64 F N O4 -","- C28 H64 F N O4 -","- C224 H512 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0558","0.0427","","0.1038","0.0979","0.1038","","","","","","0.9864","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520625","10.6859","0.0001","12.6528","0.0001","34.797","0.0003","90","","90","","90","","4704.78","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 F N O4 -","- C56 H64 F N O4 -","- C224 H256 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0272","0.0263","","0.067","0.0662","0.067","","","","","","0.9641","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520626","8.7551","0.00001","12.7463","0.00001","22.1115","0.0002","90","","92.0698","0.0006","90","","2465.93","0.02","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H80 F N O7 -","- C49 H80 F N O7 -","- C98 H160 F2 N2 O14 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.03","0.0296","","0.0797","0.0793","0.0797","","","","","","0.9982","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520627","14.5683","0.0001","19.9837","0.0002","20.7534","0.0002","91.2454","0.0007","94.4191","0.0007","103.901","0.0008","5842.46","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H78 F N O3 -","- C73 H78 F N O3 -","- C292 H312 F4 N4 O12 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0429","0.0408","","0.0976","0.0961","0.0976","","","","","","0.9862","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520628","9.4953","0.0001","12.1501","0.0002","21.4618","0.0004","81.8444","0.0006","89.1604","0.0006","78.5486","0.0007","2401.96","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H72 F N O3 -","- C55 H72 F N O3 -","- C110 H144 F2 N2 O6 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0611","0.048","","0.1278","0.1166","0.1277","","","","","","0.9966","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520629","11.2887","0.0001","17.6025","0.0001","24.966","0.0002","90","","98.4318","0.0007","90","","4907.35","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 F N O2 -","- C54 H68 F N O2 -","- C216 H272 F4 N4 O8 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0614","0.0553","","0.1454","0.1394","0.1454","","","","","","0.9822","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520630","13.4717","0.0003","17.5643","0.0004","24.8506","0.0005","78.8655","0.0019","80.5422","0.0017","69.645","0.002","5379","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 F N O2 -","- C60 H80 F N O2 -","- C240 H320 F4 N4 O8 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0502","0.0439","","0.1204","0.1141","0.1203","","","","","","0.9911","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520631","27.7157","0.0006","9.7374","0.0002","25.2072","0.0005","90","","105.664","0.002","90","","6550.2","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H96 F N3 O5 -","- C76 H96 F N3 O5 -","- C304 H384 F4 N12 O20 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0499","0.0469","","0.1351","0.1322","0.1351","","","","","","0.9935","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520638","9.187","0.0001","9.964","0.0002","15.554","0.0003","108.411","0.0011","96.805","0.0012","95.38","0.0012","1328.34","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Au Fe O2 P S -","- C29 H24 Au Fe O2 P S -","- C58 H48 Au2 Fe2 O4 P2 S2 -","2","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María","Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo","Chem. Sci.","2015","6","9","5269","","10.1039/C5SC01753J","","","0.71073","MoKα","","0.0527","0.0331","","","0.0846","0.1148","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520639","10.1227","0.0016","25.116","0.004","11.547","0.0018","90","","97.553","0.006","90","","2910.3","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl N2 O2 S -","- C33 H29 Cl N2 O2 S -","- C132 H116 Cl4 N8 O8 S4 -","4","2","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.1743","0.0617","","","0.1165","0.1618","","","","","","0.989","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520640","6.0633","0.0002","11.5428","0.0004","42.4729","0.0015","90","","90","","90","","2972.57","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N2 O4 S -","- C35 H32 N2 O4 S -","- C140 H128 N8 O16 S4 -","4","1","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.0457","0.0369","","","0.0819","0.0867","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520661","7.1574","0.0015","11.25","0.002","22.434","0.005","84.231","0.005","84.177","0.005","89.834","0.005","1787.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C80 H64 Br8 O4 -","4","2","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1242","0.0788","","","0.2136","0.2416","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520662","14.4666","0.0005","10.0707","0.0003","16.4037","0.0006","90","","109.508","0.001","90","","2252.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O -","- C25 H36 O -","- C100 H144 O4 -","4","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0599","0.0584","","","0.1683","0.1702","","","","","","1.062","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520663","23.302","0.004","11.4445","0.0017","18.904","0.003","90","","104.415","0.006","90","","4882.6","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 O -","- C28 H34 O -","- C224 H272 O8 -","8","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1226","0.0669","","","0.1756","0.21","","","","","","1.029","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520664","6.0698","0.0001","11.4589","0.0001","13.8421","0.0003","67.027","0.001","85.348","0.001","76.337","0.001","861.26","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C40 H32 Br4 O2 -","2","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0373","0.0364","","","0.1006","0.1015","","","","","","1.058","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520665","38.0616","0.0007","9.3192","0.0001","48.0059","0.0006","90","","92.3498","0.0005","90","","17013.6","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H138 Ge2 Si14 -","- C62 H138 Ge2 Si14 -","- C496 H1104 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0617","0.0476","","","0.1227","0.1342","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520666","12.7486","0.0002","20.8969","0.0004","18.9393","0.0003","90","","103.248","0.0007","90","","4911.28","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C80 H162 Ge2 Si14 -","- C80 H162 Ge2 Si14 -","- C160 H324 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0495","0.0377","","","0.0902","0.0977","","","","","","1.051","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520667","21.4391","0.0003","21.7284","0.0002","36.5231","0.0005","90","","90","","90","","17013.8","0.4","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H142 Ge2 Si14 -","- C64 H142 Ge2 Si14 -","- C512 H1136 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.078","0.0562","","","0.1454","0.1633","","","","","","1.034","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520675","13.4616","0.0003","4.959","0.0001","19.7696","0.0005","90","","93.71","0.002","90","","1316.98","0.05","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-imino-2-phenethylisoindolin-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C–H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","1.54184","CuKα","","0.0474","0.0368","","","0.0911","0.0986","","","","","","1.042","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520676","33.97","0.016","6.299","0.003","16.431","0.008","90","","92.257","0.008","90","","3513","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(3-(2-(2-cyano-N-methylbenzamido)ethyl)phenyl)acrylic acid","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C–H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","0.71073","MoKα","","0.0856","0.0586","","","0.1406","0.1579","","","","","","1.09","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520695","9.7022","0.0003","14.1065","0.0005","22.5755","0.0007","90","","90","","90","","3089.78","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rzg1463cb","","","- C41 H29 N2 O -","- C41 H29 N2 O -","- C164 H116 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0886","0.0461","","","0.1103","0.1398","","","","","","1.013","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520696","9.7137","0.0007","21.2283","0.0015","30.357","0.002","90","","90","","90","","6259.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","man666.01","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C328 H256 N16 O8 -","8","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C–H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0828","0.0445","","","0.1081","0.1271","","","","","","1.016","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520697","9.7447","0.0003","10.0599","0.0003","12.2374","0.0004","103.037","0.002","100.267","0.002","97.73","0.001","1130.75","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 F3 N2 O -","- C28 H19 F3 N2 O -","- C56 H38 F6 N4 O2 -","2","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C–H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0549","0.0489","","","0.1334","0.1394","","","","","","1.038","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520698","11.5129","0.0003","21.7914","0.0005","17.1772","0.0005","90","","98.718","0.002","90","","4259.66","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O S -","- C27 H21 N O S -","- C216 H168 N8 O8 S8 -","8","2","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C–H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0747","0.0463","","","0.1127","0.1261","","","","","","1.053","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520699","7.8222","0.0003","19.2845","0.0006","21.7791","0.0008","90","","100.329","0.002","90","","3232.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C–H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0581","0.0467","","","0.1235","0.1323","","","","","","1.062","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520700","7.9626","0.0002","12.2907","0.0004","18.1403","0.0005","90","","102.579","0.001","90","","1732.7","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","man615_LT","","","- C21 H23 N2 O Rh -","- C21 H23 N2 O Rh -","- C84 H92 N8 O4 Rh4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0336","0.0303","","","0.0733","0.0766","","","","","","1.049","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520709","21.91216","0.00013","32.64068","0.00017","35.0386","0.0002","90","","98.2694","0.0006","90","","24800","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C649.9 H447.1 Cu8 N195.3 Na23 O231.1 S32 Zn24 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.0699","0.0663","","","0.1866","0.1937","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520710","24.6339","0.0015","26.2771","0.0016","38.566","0.002","71.189","0.003","77.8","0.002","87.75","0.002","23086","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C652.9 H460.1 Cu20 N196.3 O239.1 S32 Zn12.8 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.2743","0.1379","","","0.3434","0.4375","","","","","","1.236","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520711","24.6594","0.0006","26.1086","0.0006","38.5294","0.0008","71.7131","0.0019","78.2731","0.0018","87.7169","0.0019","23054.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C650.5 H454.5 Cu32 N195.5 O232.5 S32 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.1676","0.1152","","","0.3071","0.3676","","","","","","1.118","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520712","16.4641","0.0005","16.4641","0.0005","53.397","0.002","90","","90","","90","","14474.1","0.8","123","2","123","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H52 N24 O20 S4 Zn4 -","- C80 H52 N24 O20 S4 Zn4 -","- C320 H208 N96 O80 S16 Zn16 -","4","","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.0976","0.0647","","","0.1723","0.1994","","","","","","1.049","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520713","20.3743","0.001","5.7348","0.0004","19.2424","0.0015","90","","102.342","0.006","90","","2196.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 4d and DNP adduct","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","1.5418","CuKα","","0.05","0.046","","","0.1146","0.1179","","","","","","1.058","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520714","6.5498","0.0004","20.4037","0.0013","11.0725","0.0009","90","","100.469","0.003","90","","1455.1","0.18","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C56 H56 N4 O8 S8 -","2","0.5","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0503","0.0359","","","0.0833","0.0935","","","","","","1.023","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520715","15.181","0.006","15.559","0.005","23.696","0.007","90","","105.016","0.018","90","","5406","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","racemic L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C224 H224 N16 O32 S32 -","8","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0521","0.0431","","","0.108","0.1127","","","","","","1.06","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520716","37.479","0.002","7.292","0.0004","9.0925","0.0006","90","","93.702","0.004","90","","2479.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 N O2 S -","- C25 H45 N O2 S -","- C100 H180 N4 O8 S4 -","4","1","","Bhat, R.; Patel, H.; Tsai, P.-C.; Sun, X.-L.; Daoud, D.; Lalancette, R. A.; Michniak-Kohn, B.; Pietrangelo, A.","Effect of residue structure on the thermal and thermoresponsive properties of γ-substituted poly(N-acryloyl-2-pyrrolidones)","Polym. Chem.","2015","6","33","5993","","10.1039/C5PY00649J","","","1.54178","CuKα","","0.1254","0.1182","","","0.3133","0.3165","","","","","","1.162","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520741","10.5026","0.0005","11.3327","0.0007","19.4036","0.0009","85.025","0.004","85.154","0.004","71.124","0.005","2173.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H69 Ga N2 Si3 -","- C39 H69 Ga N2 Si3 -","- C78 H138 Ga2 N4 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0358","0.0327","","","0.0848","0.0879","","","","","","1.026","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520742","11.519","0.003","20.858","0.002","11.942","0.003","90","","117.73","0.04","90","","2539.7","1.3","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H80 Ga Li N2 Si4 -","- C43 H81 Ga Li N2 Si4 -","- C86 H162 Ga2 Li2 N4 Si8 -","2","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.54178","CuKα","","0.0807","0.0579","","","0.1449","0.1567","","","","","","1.024","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520743","11.5267","0.0005","18.7832","0.0008","24.68","0.001","90","","90.988","0.004","90","","5342.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H84 Ga Li N2 O2 Si3 -","- C47 H84 Ga Li N2 O2 Si3 -","- C188 H336 Ga4 Li4 N8 O8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0861","0.0531","","","0.1039","0.12","","","","","","1.065","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520744","11.3181","0.0005","13.8704","0.0007","17.8645","0.0006","69.483","0.004","71.891","0.003","67.251","0.004","2371.9","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H77 Ga N2 O Si3 -","- C43 H77 Ga N2 O Si3 -","- C86 H154 Ga2 N4 O2 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0399","0.0351","","","0.0907","0.0945","","","","","","1.015","","","","has coordinates","170930","2020-10-21","18:00:00",""
"1520745","21.8907","0.0005","11.0318","0.0002","20.6366","0.0004","90","","117.951","0.003","90","","4402.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Ga N2 Si3 -","- C40 H71 Ga N2 Si3 -","- C160 H284 Ga4 N8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0954","0.0887","","","0.2474","0.2603","","","","","","1.066","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520746","10.6838","0.0003","19.4876","0.0005","18.4437","0.0004","90","","102.692","0.002","90","","3746.18","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H58 N2 Si2 Zn -","- C35 H58 N2 Si2 Zn -","- C140 H232 N8 Si8 Zn4 -","4","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0788","0.0489","","","0.101","0.1112","","","","","","1.032","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520747","10.8994","0.0003","20.7161","0.0005","18.9857","0.0004","90","","92.16","0.002","90","","4283.79","0.18","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H69 Al N2 Rh Si -","- C42 H69 Al N2 Rh Si -","- C168 H276 Al4 N8 Rh4 Si4 -","4","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0549","0.0374","","","0.0801","0.0898","","","","","","1.042","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520748","10.3195","0.0007","11.6531","0.0005","19.8109","0.001","77.86","0.004","75.973","0.005","73.269","0.005","2188","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 N2 Rh Si Zn -","- C45 H73 N2 Rh Si Zn -","- C90 H146 N4 Rh2 Si2 Zn2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0551","0.0349","","","0.0603","0.0656","","","","","","1.022","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520749","10.3775","0.0004","11.6602","0.0007","19.854","0.0009","77.684","0.004","75.691","0.004","73.192","0.004","2202.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 Mg N2 Rh Si -","- C45 H73 Mg N2 Rh Si -","- C90 H146 Mg2 N4 Rh2 Si2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.047","0.0359","","","0.0691","0.0733","","","","","","1.026","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520750","17.4233","0.0003","16.5193","0.0003","23.4839","0.0004","90","","104.958","0.0016","90","","6530.1","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Al2 N4 Rh2 -","- C72 H98 Al2 N4 Rh2 -","- C288 H392 Al8 N16 Rh8 -","4","0.5","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","1.54184","CuKα","","0.0373","0.0308","","","0.0764","0.0813","","","","","","1.038","","","","has coordinates,has disorder","170941","2020-10-21","18:00:00",""
"1520751","11.9993","0.0009","4.2453","0.0003","29.803","0.002","90","","100.261","0.004","90","","1493.9","0.18","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.","Triple Aryne-Tetrazine Reaction Enabling Rapid Access to a New Class of Polyaromatic Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","9","5128","5132","10.1039/C5SC01726B","","","0.71073","MoKα","","0.0664","0.0541","","","0.1464","0.1579","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520954","11.7715","0.0013","12.7462","0.0015","15.4167","0.0017","105.421","0.002","96.436","0.002","103.43","0.002","2131.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cl In N2 O2 -","- C48 H64 Cl In N2 O2 -","- C96 H128 Cl2 In2 N4 O4 -","2","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0357","0.0343","","","0.0908","0.0913","","","","","","1.392","","","","has coordinates,has disorder","171002","2020-10-21","18:00:00",""
"1520955","15.0752","0.0009","22.4148","0.0014","23.2893","0.0013","90","","90","","90","","7869.6","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103.5 In2 N8.5 O6 -","- C73.016 H103.524 In2 N8.508 O6 -","- C292.064 H414.096 In8 N34.032 O24 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.067","0.0469","","","0.1033","0.112","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520956","36.78","0.004","8.3688","0.0008","24.188","0.002","90","","115.26","0.002","90","","6733.3","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H46 Cl In N4 O2 -","- C34 H46 Cl In N4 O2 -","- C272 H368 Cl8 In8 N32 O16 -","8","2","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0228","0.0202","","","0.0473","0.0487","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520957","9.192","0.002","16.465","0.004","25.858","0.006","90","","90","","90","","3913.5","1.6","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 In N3 O3 -","- C42 H58 In N3 O3 -","- C168 H232 In4 N12 O12 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0388","0.0307","","","0.055","0.0572","","","","","","1.023","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520958","12.019","0.005","20.066","0.009","23.278","0.011","90","","90","","90","","5614","4","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 In N3 O3 Si2 -","- C64 H58 In N3 O3 Si2 -","- C256 H232 In4 N12 O12 Si8 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0647","0.0497","","","0.1324","0.1458","","","","","","0.722","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520959","14.07","0.0005","10.406","0.0003","14.8885","0.0004","90","","103.249","0.003","90","","2121.84","0.12","190","2","190","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C100 H160 O8 -","4","2","","Challinor, Victoria L.; Johnston, Ryne C.; Bernhardt, Paul V.; Lehmann, Reginald P.; Krenske, Elizabeth H.; De Voss, James J.","Biosynthetic insights provided by unusual sesterterpenes from the medicinal herb Aletris farinosa","Chem. Sci.","2015","6","10","5740","","10.1039/C5SC02056E","","x-ray","1.5418","CuKα","","0.0469","0.0446","","","0.125","0.1279","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520960","9.566","0.002","10.649","0.002","17.115","0.003","90","","95.18","0.03","90","","1736.4","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H30 Br N2 O5 P Pd -","- C34 H30 Br N2 O5 P Pd -","- C68 H60 Br2 N4 O10 P2 Pd2 -","2","1","","Xie, Lan-Gui; Bagutski, Viktor; Audisio, Davide; Wolf, Larry M.; Schmidts, Volker; Hofmann, Kathrin; Wirtz, Cornelia; Thiel, Walter; Thiele, Christina M.; Maulide, Nuno","Dynamic behaviour of monohaptoallylpalladium species: internal coordination as a driving force in allylic alkylation chemistry","Chem. Sci.","2015","6","10","5734","","10.1039/C5SC01867F","","","0.71073","MoKα","","0.0909","0.059","","","0.1068","0.1127","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521277","8.9698","0.0004","18.4284","0.0008","12.3981","0.0005","90","","98.31","0.002","90","","2027.88","0.15","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N4 O -","- C20 H27 Br N4 O -","- C80 H108 Br4 N16 O4 -","4","2","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0228","0.0226","","","0.0588","0.059","","","","","","0.977","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1521278","10.0804","0.0003","9.9982","0.0003","19.7575","0.0006","90","","103.299","0.0017","90","","1937.88","0.1","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N7 O7 -","- C33 H53 N7 O7 -","- C66 H106 N14 O14 -","2","1","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0444","0.0425","","","0.1073","0.1089","","","","","","1.065","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521279","9.6223","0.0003","14.2389","0.0005","18.6464","0.0007","85.8029","0.0011","78.4958","0.001","76.9593","0.001","2437.81","0.15","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H72 Cl7 N P2 Pt Ru -","- C43 H72 Cl7 N P2 Pt Ru -","- C86 H144 Cl14 N2 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0452","0.0317","","","0.0603","0.0641","","","","","","1.037","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521280","11.5671","0.0014","13.5147","0.0013","24.091","0.003","76.202","0.004","88.744","0.004","72.724","0.004","3487.5","0.7","122.4","","122.4","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H96 Cl5 N P4 Pd Ru -","- C73 H96 Cl5 N P4 Pd Ru -","- C146 H192 Cl10 N2 P8 Pd2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0989","0.0435","","","0.0728","0.0861","","","","","","1.025","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521281","13.811","0.0018","40.893","0.006","16.343","0.002","90","","97.877","0.005","90","","9143","2","122.4","","122.4","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C324 H576 Cl44 Ir4 O8 P16 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0605","0.0346","","","0.0671","0.0752","","","","","","1.022","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521282","10.9458","0.0006","15.8362","0.0009","16.7533","0.001","111.788","0.002","96.293","0.002","99.958","0.002","2607.5","0.3","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H92 Cl3 Ir P2 Ru -","- C51 H92 Cl3 Ir P2 Ru -","- C102 H184 Cl6 Ir2 P4 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0257","0.0195","","","0.0409","0.0426","","","","","","1.048","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521283","11.307","0.0019","13.305","0.0009","24.398","0.005","75.582","0.009","88.059","0.013","71.085","0.006","3358.5","0.9","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C126 H176 As2 Cl14 O4 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0373","0.0282","","","0.0689","0.0727","","","","","","1.044","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521284","10.935","0.0012","12.995","0.0005","18.693","0.003","78.174","0.004","75.183","0.012","75.241","0.008","2455.3","0.5","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H80 Cl5 P2 Rh Ru -","- C46 H80 Cl5 P2 Rh Ru -","- C92 H160 Cl10 P4 Rh2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0232","0.0194","","","0.0472","0.0504","","","","","","1.082","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521285","10.432","0.0007","12.713","0.0012","19.025","0.003","77.214","0.009","80.085","0.005","82.926","0.006","2414.3","0.5","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H74 Cl6 O P2 Pt Ru S -","- C40 H74 Cl6 O P2 Pt Ru S -","- C80 H148 Cl12 O2 P4 Pt2 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0142","0.0131","","","0.0364","0.0371","","","","","","1.171","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521286","13.297","0.0006","14.55","0.0013","18.906","0.0017","111.639","0.007","93.007","0.005","92.517","0.006","3387.4","0.5","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(4'-phenyl-2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C122 H166 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.067","0.0521","","","0.1405","0.1584","","","","","","1.092","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521287","32.65","0.02","13.4","0.02","23.89","0.02","90","","109.79","0.02","90","","9835","18","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[(μ-chloro-carbonylrhodium(I))-μ-carbido-dichlorobistricyclohexylphosphinruthenium(VI)]","","- C81.47 H144.4 Cl8.53 O3.16 P4 Rh2 Ru2 -","- C81.468 H144.404 Cl8.532 O3.156 P4 Rh2 Ru2 -","- C325.872 H577.616 Cl34.128 O12.624 P16 Rh8 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0668","0.0471","","","0.1313","0.1474","","","","","","1.193","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521288","14.248","0.0009","15.814","0.0018","16.607","0.0018","70.503","0.009","74.933","0.005","68.534","0.009","3241.9","0.6","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C110 H158 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0921","0.0605","","","0.1373","0.1571","","","","","","1.065","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521289","19.988","0.004","16.619","0.004","27.233","0.004","90","","100.779","0.015","90","","8887","3","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","bis[mu-carbido(dichlorobis(tricyclohexylphosphine)ruthenium(VI)]gold(I)-tetrafluoroborate","","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C304 H536 Au4 B4 Cl40 F16 P16 Ru8 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0831","0.0676","","","0.1546","0.1614","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521290","13.392","0.002","17.683","0.001","20.172","0.002","90","0.009","121.735","0.011","90","0.007","4062.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I)","","- C37 H66 Au Cl3 P2 Ru -","- C37 H66 Au Cl3 P2 Ru -","- C148 H264 Au4 Cl12 P8 Ru4 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0687","0.0521","","","0.1189","0.1298","","","","","","1.241","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522300","3.419","","3.419","","3.419","","90","","90","","90","","39.967","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Hf Ta)","","- Hf Ta -","- Hf Ta -","- Hf Ta -","1","0.0104167","","Krug, M.P.; Oden, L.L.; Romans, P.A.","The solid state portion of the Hf-Ta phase diagram","Metallurgical Transactions","1975","6","","997","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522420","4.08","","4.08","","4.08","","90","","90","","90","","67.917","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tb -","- Pd3 Tb -","- Pd3 Tb -","1","0.0208333","","Malik, S.K.; Dhar, S.K.; Vijayaraghavan, R.","Structural and magnetic investigations of some new boron containing rare earth intermetallic compounds","Bulletin of Materials Science (Bangalore)","1984","6","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522732","2.57","","2.57","","4.22","","90","","90","","120","","24.138","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Nb0.125 Ni0.75 Ti0.125)","","- Nb0.125 Ni0.75 Ti0.125 -","- Nb0.125 Ni0.75 Ti0.125 -","- Nb0.25 Ni1.5 Ti0.25 -","2","0.0833333","","Pryakhina, L.I.; Burnashova, V.V.; Myasnikova, K.P.; Cherkashin, E.E.; Markiv, V.Ya.","Ternary intermetallic compounds in the system Ni-Ti-Nb","Poroshkovaya Metallurgiya","1966","6","","61","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","143003","2020-10-21","18:00:00",""
"1522788","4.987","","4.987","","4.987","","90","","90","","90","","124.028","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Pt -","- Mo3 Pt -","- Mo6 Pt2 -","2","0.0416667","","Rooksby, H.W.; Lewis, B.","Relations between the structures of phases in the system platinum-molybdenum","Journal of the Less-Common Metals","1964","6","","451","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522944","8.57","","8.57","","4.796","","90","","90","","90","","352.242","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","(Fe0.91 Ti0.09)12 Sm","","- Fe10.92 Sm Ti1.08 -","- Fe10.92 Sm Ti1.08 -","- Fe21.84 Sm2 Ti2.16 -","2","0.0625","","Stadelmaier, H.H.; Cadieu, F.J.; Liu, N.C.","Fe-Ti-rare earth compounds with the tetragonal Mn12 Th structure type","Materials Letters","1987","6","","80","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522996","7.634","","7.634","","7.634","","90","","90","","90","","444.894","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Gd Pt2 -","- Gd Pt2 -","- Gd8 Pt16 -","8","0.0416667","","Taylor, R.A.; Harris, I.R.; Gardner, W.E.","The electrical and magnetic properties of off-stoichimetry Gd - Pt Laves phase compounds","Journal of Physics F","1976","6","","1125","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523001","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3.2 Th0.8 -","- Pd3.2 Th0.8 -","- Pd3.2 Th0.8 -","1","0.0208333","","Thomson, J.R.","The crystal strucure of Th Pd4","Advances in X-Ray Analysis","1963","6","","91","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523003","7.715","","7.715","","7.715","","90","","90","","90","","459.206","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Os2 Th -","- Os2 Th -","- Os16 Th8 -","8","0.0416667","","Thomson, J.R.","Alloys of thorium with certain transition metals. II. The systems Th-Os, Th-Ir and Th-Pt","Journal of the Less-Common Metals","1964","6","","3","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523004","4.053","","4.053","","4.053","","90","","90","","90","","66.578","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.85 Th0.15)","","- Pd0.85 Th0.15 -","- Pd0.85 Th0.15 -","- Pd3.4 Th0.6 -","4","0.0208333","","Thomson, J.R.","Alloys of thorium with certain transition metals. III. The system thorium-palladium","Journal of the Less-Common Metals","1964","6","","94","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","143313","2020-10-21","18:00:00",""
"1523082","5.063","","10.076","","11.691","","90","","90","","90","","596.414","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Li2 (W O4)","","- O4 W -","- O4 W -","- O32 W8 -","8","1","","Wilhelmi, K.A.; Waltersson, K.; Loefgren, P.","On the structure of a high pressure polymorph of lithium wolframate(VI). Li2 W O4 (III).","Crystal Structure Communications","1977","6","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523083","9.7551","","5.9465","","4.9932","","90","","90.563","","90","","289.635","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li8 O16 W4 -","4","0.5","","Wilhelmi, K.A.; Werner, P.E.; Waltersson, K.","The structure of Li2 W O4 (IV). A high pressure polymorph of lithium wolframate. Structure determination by use of Guinier-Haegg powder diffraction data.","Crystal Structure Communications","1977","6","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523084","11.9541","","11.9541","","8.4175","","90","","90","","90","","1202.86","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li32 O64 W16 -","16","0.5","","Wilhelmi, K.A.; Waltersson, K.; Werner, P.E.","The structure of Li2 W O4 (II). A high pressure polymorph of lithium wolframate. A structure derived by use of an x-ray powder photograph, also containing an additional phase.","Crystal Structure Communications","1977","6","","231","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523191","3.9113","","3.9113","","3.9113","","90","","90","","90","","59.836","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Mo0.4 Pd0.6)","","- Mo0.4 Pd0.6 -","- Mo0.405 Pd0.595 -","- Mo1.62 Pd2.38 -","4","0.0208333","","Anderson, E.","The equilibrium diagram of the system molybdenum-palladium","Journal of the Less-Common Metals","1964","6","","81","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","143804","2020-10-21","18:00:00",""
"1523400","2.892","","2.892","","2.892","","90","","90","","90","","24.188","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.75 V0.25)","","- Fe0.75 V0.25 -","- Fe0.75 V0.25 -","- Fe1.5 V0.5 -","2","0.0208333","","Chessin, H.; Arajs, S.; Miller, D.S.","Lattice spacings in some transition metal therminal solid solutions","Advances in X-Ray Analysis","1963","6","","121","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","144016","2020-10-21","18:00:00",""
"1523588","3.845","","3.845","","3.845","","90","","90","","90","","56.845","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 Ti -","- Ir3 Ti -","- Ir3 Ti -","1","0.0208333","","Eremenko, V.N.; Shtepa, T.D.; Sirotenko, V.G.","Intermediate phases in alloys of titanium with iridium, rhodium, and osmium","Poroshkovaya Metallurgiya","1966","6","","68","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523630","3.048","","3.048","","4.918","","90","","90","","120","","39.568","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta N","","- N Ta -","- N Ta -","- N2 Ta2 -","2","0.0833333","","Fontbonne, A.; Gilles, J.C.","Nouveaux nitrures de tantale. Nitrure et oxynitrures mixtes de tantale et de niobium","Revue Internationale des Hautes Temperatures et des Refractaires","1969","6","","181","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523828","7.149","","8.906","","6.667","","90","","113.4","","90","","389.57","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Ca Sn (Si O4) O","","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Higgins, J.B.; Ross, F.K.","The crystal structure of malayaite: Ca Sn O Si O4","Crystal Structure Communications","1977","6","","179","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523912","4.03","","4.03","","5.13","","90","","90","","120","","72.154","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Al Sb) Ni3","","- Al Ni3 Sb -","- Al Ni3 Sb -","- Al Ni3 Sb -","1","0.0416667","","Jan, C.-H.; Chang, Y.A.","The existence of Ni3 M Sb phases in ternary nickel-M-antimony systems (where M represents Al, Ga, In)","Journal of Materials Research","1991","6","","2660","2665","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523944","11.2966","0.0002","12.1022","0.0003","12.7036","0.0003","85.244","0.001","70.619","0.001","77.661","0.001","1600.36","0.06","296","2","296","2","","","","","","","syn","5","P -1","-P 1","2","","","","- C32 H30 N2 O4 S4 -","- C32 H30 N2 O4 S4 -","- C64 H60 N4 O8 S8 -","2","1","","Yadagiri, Dongari; Anbarasan, Pazhamalai","Tandem 1,2-sulfur migration and (aza)-Diels–Alder reaction of β-thio-α-diazoimines: rhodium catalyzed synthesis of (fused)-polyhydropyridines, and cyclohexenes","Chem. Sci.","2015","6","10","5847","","10.1039/C5SC02379C","","x-ray","0.71073","MoKα","","0.0418","0.035","","","0.092","0.0998","","","","","","1.029","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523945","18.1083","0.0007","17.6737","0.0009","7.671","0.0003","90","","90","","90","","2455.03","0.18","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","1","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0705","0.0562","","","0.1307","0.1384","","","","","","1.044","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523946","13.9688","0.0003","13.9688","0.0003","13.3347","0.0004","90","","90","","90","","2601.96","0.11","110","","110","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","0.25","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0282","0.0263","","","0.0639","0.065","","","","","","1.074","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524330","3.14","","3.14","","13.962","","90","","90","","90","","137.66","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Cu3 Ti2 -","- Cu3 Ti2 -","- Cu6 Ti4 -","2","0.0625","","Eremenko, V.N.; Buyanov, Yu.I.; Prima, S.B.","Phase diagram of the system titanium-copper","Poroshkovaya Metallurgiya","1966","6","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524429","6.909","","6.909","","6.909","","90","","90","","90","","329.796","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Cu1.5 Ga0.5) Mn","","- Cu1.5 Ga0.5 Mn -","- Cu1.5 Ga0.5 Mn -","- Cu12 Ga4 Mn8 -","8","0.0416667","","Gladyshevskii, E.I.; Zarechnyuk, O.S.; Kripyakevich, P.I.; Teslyuk, M.Yu.; Kuz'ma, Yu.B.","Crystal structures of some intermetallic compounds","Kristallografiya","1961","6","","267","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524457","3.053","","3.053","","3.053","","90","","90","","90","","28.456","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Cr0.4 Mo0.32 W0.28)","","- Cr0.4 Mo0.32 W0.28 -","- Cr0.4 Mo0.32 W0.28 -","- Cr0.8 Mo0.64 W0.56 -","2","0.0208333","","Grum-Grzhimailo, N.V.; Prokof'ev, D.L.","An X-rax diffraction study of high-temperature solid solutions in the Cr - Mo - W system","Zhurnal Neorganicheskoi Khimii","1961","6","","1155","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","145224","2020-10-21","18:00:00",""
"1524486","3.236","","3.236","","5.157","","90","","90","","120","","46.768","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.06 Zr0.94)","","- Ce0.06 Zr0.94 -","- Ce0.06 Zr0.94 -","- Ce0.12 Zr1.88 -","2","0.0833333","","Harris, I.R.; Raynor, G.V.","The electronic state of cerium in zirconium-cerium alloys","Journal of the Less-Common Metals","1964","6","","70","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","145262","2020-10-21","18:00:00",""
"1525067","4.93","","5.051","","11.14","","90","","98.05","","90","","274.668","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Sr2 Co O3) (Co O2)1.796","","- Co O3 Sr2 -","- Co O3 Sr2 -","- Co2 O6 Sr4 -","2","0.25","","Pelloquin, D.; Hebert, S.; Maignan, A.; Raveau, B.","A new thermoelectric misfit cobaltite: (Sr2 Co O3) (Co O2)1.8","Solid State Sciences","2004","6","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525470","2.71","","2.71","","3.709","","90","","90","","90","","27.239","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","(Co0.6 Mn0.4) Pt","","- Co0.6 Mn0.4 Pt -","- Co0.6 Mn0.4 Pt -","- Co0.6 Mn0.4 Pt -","1","0.0625","","Woolley, J.C.; Phillips, J.H.; Clark, J.A.","Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys","Journal of the Less-Common Metals","1964","6","","461","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525471","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Co0.6 Mn0.4 Pt)","","- Co0.6 Mn0.4 Pt -","- Co0.6 Mn0.4 Pt -","- Co1.2 Mn0.8 Pt2 -","2","0.0104167","","Woolley, J.C.; Phillips, J.H.; Clark, J.A.","Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys","Journal of the Less-Common Metals","1964","6","","461","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525472","2.691","","2.691","","3.684","","90","","90","","90","","26.678","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Co Pt -","- Co Pt -","- Co Pt -","1","0.0625","","Woolley, J.C.; Phillips, J.H.; Clark, J.A.","Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys","Journal of the Less-Common Metals","1964","6","","461","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525473","3.819","","3.819","","3.746","","90","","90","","90","","54.635","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Co Cr Pt2 -","- Co Cr Pt2 -","- Co Cr Pt2 -","1","0.0625","","Woolley, J.C.; Phillips, J.H.; Clark, J.A.","Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys","Journal of the Less-Common Metals","1964","6","","461","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525952","9.07","","9.07","","9.07","","90","","90","","90","","746.143","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","(Pb2 (O H) (H2 O)3) (Al3 Si3 O12)","","- Al3 H7 O16 Pb2 Si3 -","- Al3 O16 Pb2 Si3 -","- Al6 O32 Pb4 Si6 -","2","0.0833333","","Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J.","Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy","Chemistry - A European Journal","2000","6","","292","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526637","4.7365","","4.7365","","3.201","","90","","90","","90","","71.813","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Sn O2","","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Kim, Y.-I.; Jung, M.-J.; Kim, K.H.","Application of inverse pole figure to Rietveld refinement: III. Rietveld refinement of Sn O2 thin film using X-ray diffraction data","The Korean Journal of Ceramics","2000","6","","354","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527121","6.727","","6.582","","6.751","","90.61","","92.17","","90.98","","298.638","","","","","","","","","","","","","3","P -1","-P 1","2","","Ni0.33 Mo3 Se4","","- Mo3 Ni0.33 Se4 -","- Mo3 Ni0.33 Se4 -","- Mo6 Ni0.66 Se8 -","2","1","","Bars, O.; Guillevic, J.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene II. Structure cristalline de Ni0.33 Mo3 Se4","Journal of Solid State Chemistry","1973","6","","335","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","148453","2020-10-21","18:00:00",""
"1527173","7.1785","","7.1785","","10.742","","90","","90","","90","","553.545","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","K3 Be F5","","- Be F5 K3 -","- Be F5 K3 -","- Be4 F20 K12 -","4","0.25","","Boucherle, G.; Aleonard, S.","Diagramme d'equilibre du systeme Tl F - Be F2. Structure des Composes M3 Be F5","Materials Research Bulletin","1971","6","","525","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527565","6.4721","","6.6344","","16.832","","90","","108.805","","90","","684.162","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb2 (Si S4)","","- Pb2 S4 Si -","- Pb2 S4 Si -","- Pb8 S16 Si4 -","4","1","","Iglesias, J.E.; Steinfink, H.","Ternary chalcogenide compounds A B2 X4: The crystal structures of Si Pb2 S4 and Si Pb2 Se4","Journal of Solid State Chemistry","1973","6","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527566","8.567","","7.0745","","13.616","","90","","108.355","","90","","783.244","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb2 (Si Se4)","","- Pb2 Se4 Si -","- Pb2 Se4 Si -","- Pb8 Se16 Si4 -","4","1","","Iglesias, J.E.; Steinfink, H.","Ternary chalcogenide compounds A B2 X4: The crystal structures of Si Pb2 S4 and Si Pb2 Se4","Journal of Solid State Chemistry","1973","6","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527592","3.352","","3.352","","14.75","","90","","90","","120","","143.526","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Eu0.167 Nb S2 -","- Eu0.167 Nb S2 -","- Eu0.334 Nb2 S4 -","2","0.166667","","Jellinek, F.","On the compound Eup Nb S2","Materials Research Bulletin","1971","6","","169","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527598","3.4908","","3.4908","","7.8992","","90","","90","","90","","96.257","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Nb Si As","","- As Nb Si -","- As Nb Si -","- As2 Nb2 Si2 -","2","0.125","","Johnson, V.; Jeitschko, W.","Pb F Cl-type pnictides of niobium with silicon or germanium","Journal of Solid State Chemistry","1973","6","","306","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527677","4.552","","5.525","","6.633","","90","","106.4","","90","","160.031","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Koskenlinna, M.; Valkonen, J.","Lead selenite, Pb Se O3","Crystal Structure Communications","1977","6","","813","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527745","5.2026","","5.2026","","6.3489","","90","","90","","120","","148.823","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mo0.8 B3","","- B3 Mo0.8 -","- B3 Mo0.8 -","- B12 Mo3.2 -","4","0.166667","","Lundstroem, T.; Rosenberg, I.","The Crystal Structure of the Molybdenum Boride M=Mo(1-X) B3","Journal of Solid State Chemistry","1973","6","","299","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","149475","2020-10-21","18:00:00",""
"1527867","10.826","","9.31","","11.515","","90","","71.04","","90","","1097.63","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Hg3 O2 Cl2","","- Cl2 Hg3 O2 -","- Cl2 Hg3 O2 -","- Cl16 Hg24 O16 -","8","2","","Neuman, M.A.; Petersen, D.R.; Lo, G.Y.S.","Crystal structure of a second modification of the mercury oxychloride Hg3 O2 Cl2","Journal of Crystal and Molecular Structure","1976","6","","177","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","149652","2020-10-21","18:00:00",""
"1527961","15.3","","15.3","","10.2","","90","","90","","90","","2387.72","","","","","","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","Ca1.8125 Zr5.1625 Ti1.725 Fe0.275 O16","","- Ca1.8125 Fe0.275 O16 Ti1.725 Zr5.1625 -","- Ca1.8126 Fe0.275 O16 Ti1.725 Zr5.16 -","- Ca14.5008 Fe2.2 O128 Ti13.8 Zr41.28 -","8","0.25","","Pyatenko, Yu.A.; Pudovkina, Z.V.","The crystal structure of calcirtite; a new derivative structure of Ca F2 - Ce O2 type","Kristallografiya","1961","6","","196","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528321","8.873","","4.099","","5.483","","90","","90","","90","","199.419","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sb O F","","- F O Sb -","- F O Sb -","- F4 O4 Sb4 -","4","0.5","","Astroem, A.; Andersson, S.","The crystal structure of L-Sb O F","Journal of Solid State Chemistry","1973","6","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528454","3.74","","2.975","","9.354","","90","","90","","90","","104.077","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Li2 Pd O2","","- Li2 O2 Pd -","- Li2 O2 Pd -","- Li4 O4 Pd2 -","2","0.125","","Dubey, B.L.; Gard, J.A.; Glasser, F.P.; West, A.R.","Synthesis, structure and stability of phases in the system Li2 O-Pd-O2","Journal of Solid State Chemistry","1973","6","","329","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528468","7.774","","7.774","","16.765","","90","","90","","120","","877.452","","","","","","","","","","","","","4","P -3","-P 3","147","","Ba3 Nb20.8 Si2 O44","","- Ba3 Nb20.8 O44 Si2 -","- Ba3 Nb20.79 O44 Si2 -","- Ba3 Nb20.79 O44 Si2 -","1","0.166667","","Evans, D.M.; Katz, L.","The structure of the seven layer barium niobium silicon oxide, Ba3 Nb21-X Si2 O44 (x=0.2)","Journal of Solid State Chemistry","1973","6","","459","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","150741","2020-10-21","18:00:00",""
"1528703","5.365","","5.409","","13.17","","90","","90","","90","","382.184","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","La2 (Cu O4)","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","0.125","","Longo, J.M.; Raccah, P.H.","The structure of La2 Cu O4 and La Sr V O4","Journal of Solid State Chemistry","1973","6","","526","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528704","3.8691","","3.8691","","12.6523","","90","","90","","90","","189.404","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La Sr V O4","","- La O4 Sr V -","- La O4 Sr V -","- La2 O8 Sr2 V2 -","2","0.0625","","Longo, J.M.; Raccah, P.H.","The structure of La2 Cu O4 and La Sr V O4","Journal of Solid State Chemistry","1973","6","","526","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528718","5.514","","7.004","","12.26","","94.86","","95.14","","109.3","","441.771","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","V4 O7","","- O7 V4 -","- O7 V4 -","- O28 V16 -","4","","","Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P.","Structural aspects of the metal-insulator transition in V4 O7","Journal of Solid State Chemistry","1973","6","","419","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528719","5.59","","7.128","","12.483","","95.03","","95.34","","108.89","","464.882","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Ti4 O7","","- O7 Ti4 -","- O7 Ti4 -","- O28 Ti16 -","4","","","Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P.","Structural aspect of the metal-insulator transition in Ti4 O7","Journal of Solid State Chemistry","1973","6","","213","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528756","10.19","","10.19","","10.642","","90","","90","","120","","956.979","","","","","","","","","","","","","3","P -6","P -6","174","","Pb5 (Ge O4) (Ge2 O7)","","- Ge3 O11 Pb5 -","- Ge3 O11 Pb5 -","- Ge9 O33 Pb15 -","3","0.5","","Newnham, R.E.; Wolfe, R.W.; Darlington, C.N.W.","Prototype structure of Pb5 Ge3 O11","Journal of Solid State Chemistry","1973","6","","378","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","151405","2020-10-21","18:00:00",""
"1528831","15.29","","15.29","","15.29","","90","","90","","90","","3574.56","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Pb26 Ag9 Cu24 Cl62 (O H)48","Boleite","- Ag9 Cl62 Cu24 H48 O48 Pb26 -","- Ag9 Cl62 Cu24 O48 Pb26 -","- Ag9 Cl62 Cu24 O48 Pb26 -","1","0.0208333","","Rouse, R.C.","The crystal structure of Boleite","Journal of Solid State Chemistry","1973","6","","86","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:01",""
"1528868","6.3259","","5.446","","4.9469","","90","","90","","90","","170.425","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Li3 V O4","","- Li3 O4 V -","- Li3 O4 V -","- Li6 O8 V2 -","2","0.5","","Shannon, R.D.; Calvo, C.","Refinement of the crystal structure of low temperature Li3 V O3 and analysis of mean bond lengths in phosphates, arsenates, and vanadates","Journal of Solid State Chemistry","1973","6","","538","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528887","5.3781","","5.3781","","13.604","","90","","90","","120","","340.765","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Hg Ti O3","","- Hg O3 Ti -","- Hg O3 Ti -","- Hg6 O18 Ti6 -","6","0.333333","","Sleight, A.W.; Prewitt, C.T.","High pressure Hg Ti O3 and Hg Pb O3. Preparation, Chacterization, and Structure","Journal of Solid State Chemistry","1973","6","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528947","11.7306","","11.7306","","13.0372","","90","","90","","90","","1794.01","","","","","","","","","","","","","6","I 4/m","-I 4","87","","((Co (H2 O)2)2 Mo (C N)8) (H2 O)4","","- C8 H16 Co2 Mo N8 O8 -","- C8 Co2 Mo N8 O8 -","- C32 Co8 Mo4 N32 O32 -","4","0.25","","Tuna, F.; Golhen, S.; Ouahab, L.; Sutter, J.P.","Crystal structure and magnetic properties of [{Co (H2 O)2}2 Mo (C N)8].4 H2 O, a three-dimensional cyanide-bridged bimetallic compound","Comptes Rendus Chimie","2003","6","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529002","7.562","","7.562","","7.562","","90","","90","","90","","432.424","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","D0.53 W O3","","- D0.53 O3 W -","- D0.528 O3 W -","- D4.224 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.G.","The crystal structure of cubic hydrogen tungsten bronze","Journal of Solid State Chemistry","1973","6","","374","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529061","10.1241","0.0004","10.1353","0.0004","17.3058","0.0006","84.1092","0.0012","73.833","0.0012","63.9157","0.0011","1531.42","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 B F9 -","- C37 H22 B F9 -","- C74 H44 B2 F18 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.062","0.0516","","","0.1253","0.1337","","","","","","1.032","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529062","9.7736","0.0005","16.1049","0.0008","16.4046","0.0008","76.766","0.002","74.775","0.002","75.51","0.002","2375.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B F9 -","- C28 H18 B F9 -","- C112 H72 B4 F36 -","4","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.0485","0.0429","","","0.1038","0.1103","","","","","","0.903","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529063","8.6666","0.0011","35.693","0.005","15.69","0.002","90","","91.689","0.004","90","","4851.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 B F9 O -","- C28 H20 B F9 O -","- C224 H160 B8 F72 O8 -","8","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.104","0.0619","","","0.1492","0.1773","","","","","","0.886","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529064","9.2715","0.0004","36.7577","0.0015","11.3129","0.0005","90","","90.098","0.004","90","","3855.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 N8 O9 -","- C37 H54 N8 O9 -","- C148 H216 N32 O36 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","x-ray","0.71073","MoKα","","0.2072","0.157","","","0.3787","0.411","","","","","","1.063","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529065","13.3658","0.0002","9.4864","0.0001","17.7634","0.0002","90","","104.204","0.001","90","","2183.42","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N8 O13 -","- C39.275 H65.1 N8 O12.275 -","- C78.55 H130.2 N16 O24.55 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.0623","0.0575","","","0.1487","0.1518","","","","","","1.08","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529066","16.9971","0.0011","9.2681","0.0004","25.8496","0.0017","90","","99.408","0.006","90","","4017.3","0.4","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C36 H52 N8 O9 -","- C36 H52 N8 O9 -","- C144 H208 N32 O36 -","4","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1457","0.0892","","","0.2133","0.2361","","","","","","0.981","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529067","17.7309","0.0007","9.6245","0.0003","26.236","0.001","90","","107.755","0.004","90","","4263.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C156 H256 N32 O48 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1477","0.0918","","","0.2165","0.253","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529068","9.769","0.005","13.318","0.005","17.543","0.005","90","0.005","103.191","0.005","90","0.005","2222.2","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C78 H128 N16 O24 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71069","MoKα","","0.0658","0.0571","","","0.1425","0.1496","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529075","18.2529","0.0005","6.5741","0.0002","21.2658","0.0006","90","","100.998","0.0014","90","","2504.95","0.13","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C114.08 H86.08 F24 N1.92 O8 S8 -","4","1","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","1.54178","CuKα","","0.0426","0.0384","","","0.1018","0.1055","","","","","","1.037","","","","has coordinates","170924","2020-10-21","18:00:00",""
"1529076","15.141","0.004","18.267","0.005","19.761","0.005","72.453","0.005","86.674","0.006","77.582","0.006","5089","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F6 N2 O2 S2 -","- C27 H20 F6 N2 O2 S2 -","- C216 H160 F48 N16 O16 S16 -","8","4","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","0.71073","MoKα","","0.1212","0.077","","","0.1389","0.1561","","","","","","1.059","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529077","29.93","0.006","29.93","0.006","28.878","0.006","90","","90","","120","","22403","8","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C679.8 H533.7 Cl12 Cu12 F144 N93.9 O84 S12 -","6","1","","Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W.","Redox-configurable ambidextrous catalysis: structural and mechanistic insight","Chem. Sci.","2015","6","10","5904","","10.1039/C5SC02144H","","","0.71073","MoKα","","0.0974","0.0782","","","0.2086","0.2228","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529078","34.794","0.016","5.836","0.003","28.131","0.014","90","","97.862","0.011","90","","5659","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.36 H70.72 N4 O2.68 -","- C65.36 H70.72 N4 O2.68 -","- C261.44 H282.88 N16 O10.72 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0597","","","0.1624","0.1931","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529079","34.89","0.003","5.8074","0.0004","28.103","0.002","90","","98.31","0.002","90","","5634.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H67 N4 O2 -","- C66 H67 N4 O2 -","- C264 H268 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0841","0.0717","","","0.2167","0.2318","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529080","34.814","0.002","5.8498","0.0004","27.956","0.002","90","","98.517","0.002","90","","5630.6","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 N4 O4.5 -","- C68 H71 N4 O4.5 -","- C272 H284 N16 O18 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0733","0.0579","","","0.1626","0.1751","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529081","34.994","0.005","5.7712","0.0009","28.005","0.005","90","","97.696","0.005","90","","5604.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N4 O3 -","- C63 H69 N4 O3 -","- C252 H276 N16 O12 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0978","0.0681","","","0.1908","0.2163","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529082","34.875","0.004","5.794","0.0006","28.028","0.003","90","","98.453","0.002","90","","5602","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N7 O6 -","- C63 H69 N7 O6 -","- C252 H276 N28 O24 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0742","0.061","","","0.1765","0.1876","","","","","","1.056","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529083","35.119","0.008","5.8515","0.0013","28.129","0.006","90","","96.944","0.005","90","","5738","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H68 N4 O2 -","- C68 H68 N4 O2 -","- C272 H272 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1489","0.1199","","","0.3229","0.34","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529084","5.8032","0.0007","17.6171","0.0018","28.095","0.003","82.852","0.004","89.95","0.004","81.848","0.004","2820.8","0.5","100","2","100","2","","","","","","","Inmersion in P-Xylene","3","P -1","-P 1","2","","","","- C68 H70 N4 -","- C68 H70 N4 -","- C136 H140 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.148","0.0788","","","0.1961","0.2277","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529085","34.833","0.004","5.8219","0.0007","28.205","0.003","90","","98.49","0.005","90","","5657.1","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 N4 -","- C70 H76 N4 -","- C280 H304 N16 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1361","0.0699","","","0.1761","0.2142","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529086","5.8111","0.0013","17.553","0.004","28.328","0.005","82.08","0.006","89.417","0.006","83.086","0.006","2841.1","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 N4 -","- C74 H72 N4 -","- C148 H144 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1388","0.0949","","","0.2375","0.2665","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529087","35.689","0.004","5.9481","0.0006","28.84","0.003","90","","97.562","0.006","90","","6069","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H74 N6 -","- C70 H74 N6 -","- C280 H296 N24 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0768","","","0.2101","0.2312","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529088","29.5994","0.0013","29.5994","0.0013","52.255","0.004","90","","90","","120","","39648","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper cyanide","","- C133 H99 Cu5.5 N17 O31 -","- C132 H99 Cu5.5 N15 O27 -","- C792 H594 Cu33 N90 O162 -","6","0.333333","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1428","0.0881","","","0.2481","0.2828","","","","","","0.774","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529089","57.029","0.002","34.131","0.003","24.4704","0.0006","90","","95.496","0.002","90","","47412","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris(4-pyridyl-methyl)cyclotriguaiacyclene copper triflate","","- C168 H156 Cu3 F0 N12 O27 S0 -","- C168 H156 Cu3 N12 O27 -","- C672 H624 Cu12 N48 O108 -","4","0.5","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1146","0.09","","","0.2352","0.2508","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529090","11.0753","0.001","32.119","0.003","47.079","0.004","90","","92.659","0.001","90","","16729","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bromotris(4-pyridyl-benzyl)cyclotriguaiacyclene copper(ii) bromide","","- C128 H126 Br4 Cu2 N6 O17 S4 -","- C128 H126 Br3.75 Cu2 N6 O17 S4 -","- C512 H504 Br15 Cu8 N24 O68 S16 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1933","0.146","","","0.3872","0.4168","","","","","","1.412","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529091","14.4856","0.0003","18.0721","0.0004","30.4166","0.0007","96.787","0.002","93.193","0.002","102.088","0.002","7704.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper triflate","","- C108 H102 Cu2 F12 N10 O36 S4 -","- C107 H102 Cu2 F9 N10 O33 S3 -","- C214 H204 Cu4 F18 N20 O66 S6 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1253","0.1063","","","0.2998","0.3235","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529092","9.459","0.002","29.785","0.007","34.465","0.008","90","","90","","90","","9710","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate","","- C47 H44.5 B Cu F4 N5.5 O11 -","- C47 H40.5 B Cu F4 N5.5 O11 -","- C376 H324 B8 Cu8 F32 N44 O88 -","8","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.6889","","","0.136","0.1163","","","0.3412","0.3652","","","","","","1.318","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529093","28.9123","0.001","20.7706","0.0008","29.7284","0.0013","90","","101.224","0.004","90","","17511.2","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris(isonicotonoyl)cyclotriguaiacyclene copper(II) tetrafluoroborate","","- C149 H187 B4 Cu2 F16 N19 O34.5 -","- C149 H175 B4 Cu2 F16 N19 O34.5 -","- C596 H700 B16 Cu8 F64 N76 O138 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1803","0.1262","","","0.336","0.3928","","","","","","1.303","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529094","15.4223","0.001","19.5085","0.0012","28.1607","0.0017","100.656","0.004","105.671","0.003","102.75","0.004","7682","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bromo[tris(4-pyridyl)methyl)cyclotriguaiacyclene]copper(II) bromide","","- C93 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C93.05 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C186.1 H210 Br6 Cu4 N12 O33 S9 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1479","0.1149","","","0.3304","0.3488","","","","","","1.248","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529096","11.2362","","11.2362","","8.6084","","90","","90","","90","","1086.83","","","","","","","","","","","","","6","I -4 m 2","I -4 -2","119","","Cd (Zr Sr (C2 O4)4) (H2 O)6","","- C8 H12 Cd O22 Sr Zr -","- C8 H8 Cd O22 Sr Zr -","- C16 H16 Cd2 O44 Sr2 Zr2 -","2","0.125","","Audebrand, N.; Bataille, T.; Jeanneau, E.; Raite, S.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529097","11.0549","","11.0549","","8.9735","","90","","90","","90","","1096.66","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","In K (C2 O4)2 (H2 O)4","","- C4 H8 In K O12 -","- C4 H8 In K O12 -","- C16 H32 In4 K4 O48 -","4","0.25","","Audebrand, N.; Jeanneau, E.; Raite, S.; Bataille, T.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529098","11.4569","","11.4569","","9.1502","","90","","90","","90","","1201.06","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Y Rb (C2 O4)2 (H2 O)4","","- C4 H8 O12 Rb Y -","- C4 O12 Rb Y -","- C16 O48 Rb4 Y4 -","4","0.25","","Audebrand, N.; Jeanneau, E.; Bataille, T.; Raite, S.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529099","11.2558","","11.2558","","8.4288","","90","","90","","90","","1067.87","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","Ca2 Zr (C2 O4)4 (H2 O)5.5","","- Ca2 O20 Zr -","- Ca2 O20 Zr -","- Ca4 O40 Zr2 -","2","0.125","","Audebrand, N.; Jeanneau, E.; Louer, D.; Bataille, T.; Raite, S.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529102","4.609","","14.195","","17.214","","90","","90","","90","","1126.22","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ba (H P O4)","","- Ba H O4 P -","- Ba H O4 P -","- Ba12 H12 O48 P12 -","12","1.5","","Ben Chaabane, T.; Smiri, L.; Bulou, A.","Vibrational study and crystal structure refinement of Ba H P O4","Solid State Sciences","2004","6","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529105","10.202","","10.202","","10.202","","90","","90","","90","","1061.83","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.65 Mg0.35) (Ti2 O6.825)","","- Mg0.35 O6.825 Sm1.65 Ti2 -","- Mg0.35 O6.825 Sm1.65 Ti2 -","- Mg2.8 O54.6 Sm13.2 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Abboudi, M.; Veiga, M.L.; Almontassir, A.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152168","2020-10-21","18:00:00",""
"1529106","10.206","","10.206","","10.206","","90","","90","","90","","1063.08","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.78 Co0.22) (Ti2 O6.89)","","- Co0.22 O6.89 Sm1.78 Ti2 -","- Co0.22 O6.888 Sm1.78 Ti2 -","- Co1.76 O55.104 Sm14.24 Ti16 -","8","0.0416667","","Daidouh, A.; Almontassir, A.; Pico, C.; Veiga, M.L.; Abboudi, M.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152169","2020-10-21","18:00:00",""
"1529107","10.199","","10.199","","10.199","","90","","90","","90","","1060.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.65 Co0.35) (Ti2 O6.825)","","- Co0.35 O6.825 Sm1.65 Ti2 -","- Co0.35 O6.825 Sm1.65 Ti2 -","- Co2.8 O54.6 Sm13.2 Ti16 -","8","0.0416667","","Daidouh, A.; Almontassir, A.; Veiga, M.L.; Pico, C.; Hanebali, L.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152170","2020-10-21","18:00:00",""
"1529108","10.219","","10.219","","10.219","","90","","90","","90","","1067.15","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.89 Ni0.11) (Ti2 O6.945)","","- Ni0.11 O6.945 Sm1.89 Ti2 -","- Ni0.11 O6.944 Sm1.89 Ti2 -","- Ni0.88 O55.552 Sm15.12 Ti16 -","8","0.0416667","","Daidouh, A.; Veiga, M.L.; Pico, C.; Hanebali, L.; Almontassir, A.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152171","2020-10-21","18:00:00",""
"1529109","10.213","","10.213","","10.213","","90","","90","","90","","1065.27","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.70 Ni0.30) (Ti2 O6.85)","","- Ni0.3 O6.85 Sm1.7 Ti2 -","- Ni0.3 O6.853 Sm1.7 Ti2 -","- Ni2.4 O54.824 Sm13.6 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Hanebali, L.; Veiga, M.L.; Abboudi, M.; Almontassir, A.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152172","2020-10-21","18:00:00",""
"1529110","10.216","","10.216","","10.216","","90","","90","","90","","1066.21","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.89 Mg0.11) (Ti2 O6.945)","","- Mg0.11 O6.945 Sm1.89 Ti2 -","- Mg0.11 O6.944 Sm1.89 Ti2 -","- Mg0.88 O55.552 Sm15.12 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Almontassir, A.; Veiga, M.L.; Hanebali, L.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152173","2020-10-21","18:00:00",""
"1529111","10.209","","10.209","","10.209","","90","","90","","90","","1064.02","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.78 Mg0.22) (Ti2 O6.89)","","- Mg0.22 O6.89 Sm1.78 Ti2 -","- Mg0.22 O6.888 Sm1.78 Ti2 -","- Mg1.76 O55.104 Sm14.24 Ti16 -","8","0.0416667","","Daidouh, A.; Veiga, M.L.; Pico, C.; Almontassir, A.; Abboudi, M.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152174","2020-10-21","18:00:00",""
"1529112","10.477","","10.477","","10.477","","90","","90","","90","","1150.03","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Y7 Re O14.16","","- O14.16 Re Y7 -","- O14.16 Re Y7 -","- O56.64 Re4 Y28 -","4","0.0208333","","Ehrenberg, H.; Miehe, G.; Hartmann, T.; Bramnik, K.G.; Fuess, H.","Yttrium rhenium oxide, Y7 Re O14-d: a cubic fluorite superstructure","Solid State Sciences","2004","6","","247","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529115","6.411","","6.459","","10.015","","90.18","","97.02","","110","","386.327","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 Cd (H2 O)4 (S O4)2","","- C2 H20 Cd N6 O12 S2 -","- C2 H20 Cd N6 O12 S2 -","- C2 H20 Cd N6 O12 S2 -","1","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529116","10.026","","7.633","","12.025","","90","","97.09","","90","","913.218","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 Ni (H2 O)6 (S O4)2","","- C2 H24 N6 Ni O14 S2 -","- C2 H24 N6 Ni O14 S2 -","- C4 H48 N12 Ni2 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529117","7.366","","12.366","","19.302","","107.1","","94.07","","90.05","","1675.78","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 (V O) (H2 O)4 (S O4)2","","- C2 H20 N6 O13 S2 V -","- C2 H20 N6 O13 S2 V -","- C8 H80 N24 O52 S8 V4 -","4","2","","Fleck, M.; Tillmanns, E.; Bohaty, L.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529118","9.173","","14.986","","17.505","","90","","92.94","","90","","2403.19","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","(N H4)2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H10 Mo6 N2 O -","- Cl14 H10 Mo6 N2 O -","- Cl56 H40 Mo24 N8 O4 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Lidin, S.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X= N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529119","9.14","","14.852","","17.445","","90","","93.48","","90","","2363.75","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","K2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H2 K2 Mo6 O -","- Cl14 H2 K2 Mo6 O -","- Cl56 H8 K8 Mo24 O4 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Eriksson, L.; Lidin, S.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529120","9.215","","14.941","","17.532","","90","","92.7","","90","","2411.15","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","Rb2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H2 Mo6 O Rb2 -","- Cl14 H2 Mo6 O Rb2 -","- Cl56 H8 Mo24 O4 Rb8 -","4","1","","Flemstroem, A.; Lidin, S.; Hirsch, T.K.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529121","9.771","","12.984","","21.535","","90","","90.81","","90","","2731.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cs2 ((Mo Cl)6 Cl8) (H2 O)3","","- Cl14 Cs2 H6 Mo6 O3 -","- Cl14 Cs2 H6 Mo6 O3 -","- Cl56 Cs8 H24 Mo24 O12 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Lidin, S.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529124","2.831","","2.831","","16.53","","90","","90","","120","","114.732","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Na.60 Co O2","","- Co Na0.6 O2 -","- Co Na0.6 O2 -","- Co3 Na1.8 O6 -","3","0.166667","","Fouassier, C.; Matejka, G.; Reau, J.M.; Hagenmuller, P.","Sur de Nouveaux Bronzes Oxygenes de Formule Nax Co O2 (x below or equal to 1). Le Systeme Cobalt-Oxygene-Sodium","Journal of Solid State Chemistry","1973","6","","532","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529129","5.5523","","7.9716","","5.5741","","90","","90","","90","","246.714","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O2.78)","","- La Mn O2.78 -","- La Mn O2.78 -","- La4 Mn4 O11.12 -","4","0.5","","Hansteen, O.H.; Breard, Y.; Fjellvag, H.; Hauback, B.C.","Divalent manganese in reduced La Mn O3-d - effect of oxygen nonstoichiometry on structural and magnetic properties","Solid State Sciences","2004","6","","279","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529130","7.628","","7.628","","15.338","","90","","90","","90","","892.463","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Sr0.685 Dy0.315) (Co O2.615)","","- Co Dy0.315 O2.615 Sr0.685 -","- Co Dy0.315 O2.615 Sr0.685 -","- Co16 Dy5.04 O41.84 Sr10.96 -","16","0.5","","Istomin, S.Ya.; Drozhzhin, O.A.; Svensson, G.; Antipov, E.V.","Synthesis and characterization of Sr1-x Lnx Co O3-d, Ln = Y, Sm - Tm, 0.1 < x < 0.5","Solid State Sciences","2004","6","","539","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529136","4.0411","","4.0411","","4.0411","","90","","90","","90","","65.993","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(La0.361 Ba0.690 Ca0.17) ((Cd0.114 Ti0.886) O3.096)","","- Ba0.69 Ca0.17 Cd0.114 La0.361 O3.096 Ti0.886 -","- Ba0.69 Ca0.166 Cd0.114 La0.361 O3.096 Ti0.886 -","- Ba0.69 Ca0.166 Cd0.114 La0.361 O3.096 Ti0.886 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152199","2020-10-21","18:00:00",""
"1529137","4.0119","","4.0119","","4.0119","","90","","90","","90","","64.573","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(La0.35 Ba0.37 Ca0.31) ((Cd0.025 Ti0.810) O2.775)","","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152200","2020-10-21","18:00:00",""
"1529138","3.9875","","3.9875","","3.9875","","90","","90","","90","","63.402","","","","","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","(La0.4 Ba0.4 Ca0.2) ((Cd0.072 Zn0.128 Ti0.57) O2.58)","","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.57 Zn0.128 -","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.572 Zn0.128 -","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.572 Zn0.128 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152201","2020-10-21","18:00:00",""
"1529139","11.0525","","5.2261","","23.7049","","90","","90","","90","","1369.23","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","La (Al Si O5)","","- Al La O5 Si -","- Al0.993333 La O5 Si1.00667 -","- Al11.92 La12 O60 Si12.08 -","12","3","","Kahlenberg, V.; Krueger, H.","La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates","Solid State Sciences","2004","6","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529140","9.7532","","9.7532","","7.2371","","90","","90","","120","","596.197","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","La9.71 (Al0.19 Si0.81 O4)6 O2","","- Al1.14 La9.71 O26 Si4.86 -","- Al1.14 La9.72 O26 Si4.86 -","- Al1.14 La9.72 O26 Si4.86 -","1","0.0833333","","Kahlenberg, V.; Krueger, H.","La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates","Solid State Sciences","2004","6","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","152203","2020-10-21","18:00:00",""
"1529141","3.93849","","3.93849","","23.6901","","90","","90","","90","","367.474","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Fe2 O5 Cl2)","","- Cl2 Fe2 O5 Sr3 -","- Cl2 Fe2 O5 Sr3 -","- Cl4 Fe4 O10 Sr6 -","2","0.0625","","Knee, C.S.; Weller, M.T.; Field, M.A.L.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152204","2020-10-21","18:00:00",""
"1529142","3.95465","","3.95465","","25.4146","","90","","90","","90","","397.465","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Fe2 O5 Br2)","","- Br2 Fe2 O5 Sr3 -","- Br2 Fe2 O5 Sr3 -","- Br4 Fe4 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152205","2020-10-21","18:00:00",""
"1529143","3.92946","","3.92946","","23.8766","","90","","90","","90","","368.67","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr3 ((Fe0.56 Co0.44)2 O5 Cl2)","","- Cl2 Co0.88 Fe1.12 O5 Sr3 -","- Cl2 Co0.88 Fe1.12 O5 Sr3 -","- Cl4 Co1.76 Fe2.24 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152206","2020-10-21","18:00:00",""
"1529144","3.91932","","3.91932","","23.7782","","90","","90","","90","","365.259","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr3 ((Fe0.57 Co0.43)2 O5 Cl2)","","- Cl2 Co0.86 Fe1.14 O5 Sr3 -","- Cl2 Co0.86 Fe1.14 O5 Sr3 -","- Cl4 Co1.72 Fe2.28 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152207","2020-10-21","18:00:00",""
"1529147","8.352","","8.352","","8.352","","90","","90","","90","","582.601","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.932 Ti0.068) ((Cr0.1 Li0.368 Ti1.532) O4)","","- Cr0.1 Li1.3 O4 Ti1.6 -","- Cr0.1 Li1.3 O4 Ti1.6 -","- Cr0.8 Li10.4 O32 Ti12.8 -","8","0.0416667","","Martin, P.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Electronic and magnetic behaviour of Li1/2+x/2 Tix Cr5/2-3x/2 O4 spinels","Solid State Sciences","2004","6","","325","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","152210","2020-10-21","18:00:00",""
"1529156","4.93","","2.803","","11.14","","90","","98.05","","90","","152.424","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","(Sr2 Co O3) (Co O2)1.796","","- Co1.796 O3.592 -","- Co1.796 O3.592 -","- Co3.592 O7.184 -","2","0.25","","Pelloquin, D.; Hebert, S.; Raveau, B.; Maignan, A.","A new thermoelectric misfit cobaltite: (Sr2 Co O3) (Co O2)1.8","Solid State Sciences","2004","6","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","152219","2020-10-21","18:00:00",""
"1529157","9.7825","","9.7825","","18.7843","","90","","90","","120","","1556.77","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Cs3.91 (S8 (Re Br)6)","","- Br6 Cs3.91 Re6 S8 -","- Br6 Cs3.912 Re6 S8 -","- Br12 Cs7.824 Re12 S16 -","2","0.166667","","Pilet, G.; Perrin, A.","New compounds in the cesium sulfobromide rhenium octahedral cluster chemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and Cs2 Re6 S8 Br4","Solid State Sciences","2004","6","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","152220","2020-10-21","18:00:00",""
"1529158","6.3664","","18.4483","","9.3094","","90","","104.262","","90","","1059.68","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 (Re6 S8 Br4)","","- Br4 Cs2 Re6 S8 -","- Br4 Cs2 Re6 S8 -","- Br8 Cs4 Re12 S16 -","2","0.5","","Pilet, G.; Perrin, A.","New compounds in the cesium sulfobromide rhenium octahedral clusterchemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and Cs2 Re6 S8 Br4","Solid State Sciences","2004","6","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529160","5.6108","","5.5915","","7.9032","","90","","89.99","","90","","247.945","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 (Fe0.62 Sc0.25 Mo0.11) ((Mo0.87 Fe0.11) O5.96)","","- Fe0.73 Mo0.98 O5.96 Sc0.25 Sr2 -","- Fe0.73 Mo0.98 O5.958 Sc0.25 Sr2 -","- Fe1.46 Mo1.96 O11.916 Sc0.5 Sr4 -","2","0.5","","Ritter, C.; Blasco, J.; Garcia, J.; Serrate, D.; de Teresa, J.M.; Morellon, L.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529161","5.5606","","5.5606","","7.901","","90","","90","","90","","244.301","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.45 Ti0.19 Mo0.34) ((Mo0.64 Fe0.29 Ti0.06) O6)","","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe1.48 Mo1.96 O12 Sr4 Ti0.5 -","2","0.125","","Ritter, C.; Blasco, J.; Ibarra, M.R.; de Teresa, J.M.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152224","2020-10-21","18:00:00",""
"1529162","7.91881","","7.91881","","7.91881","","90","","90","","90","","496.569","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.45 Ti0.19 Mo0.34) ((Mo0.64 Fe0.29 Ti0.06) O6)","","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe2.96 Mo3.92 O24 Sr8 Ti -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Serrate, D.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152225","2020-10-21","18:00:00",""
"1529163","5.5541","","5.5541","","7.8743","","90","","90","","90","","242.907","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.56 V0.14 Mo0.30) ((Mo0.70 Fe0.19 V0.11) O6)","","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe1.5 Mo2 O12 Sr4 V0.5 -","2","0.125","","Ritter, C.; Ibarra, M.R.; de Teresa, J.M.; Blasco, J.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529164","7.9101","","7.9101","","7.9101","","90","","90","","90","","494.932","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.56 V0.14 Mo0.30) ((Mo0.70 Fe0.19 V0.11) O6)","","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe3 Mo4 O24 Sr8 V -","4","0.0208333","","Ritter, C.; Morellon, L.; Blasco, J.; Serrate, D.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529165","5.5552","","5.5552","","7.8767","","90","","90","","90","","243.077","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.69 Cr0.09 Mo0.22) ((Mo0.78 Fe0.06 Cr0.16) O5.9)","","- Cr0.25 Fe0.75 Mo O5.9 Sr2 -","- Cr0.25 Fe0.75 Mo O5.898 Sr2 -","- Cr0.5 Fe1.5 Mo2 O11.796 Sr4 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529166","5.5911","","5.578","","7.8749","","90","","89.9","","90","","245.595","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 (Fe0.60 Mn0.25 Mo0.15) ((Mo0.85 Fe0.15) O6)","","- Fe0.75 Mn0.25 Mo O6 Sr2 -","- Fe0.75 Mn0.25 Mo O6 Sr2 -","- Fe1.5 Mn0.5 Mo2 O12 Sr4 -","2","0.5","","Ritter, C.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Serrate, D.; Ibarra, M.R.; Garcia, J.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529167","5.5679","","5.5679","","7.9218","","90","","90","","90","","245.588","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 (Fe0.94 Mo0.05) ((Mo0.94 Fe0.05) O6)","","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe1.98 Mo1.98 O12 Sr4 -","2","0.125","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Ibarra, M.R.; Serrate, D.; Garcia, J.; Morellon, L.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152230","2020-10-21","18:00:00",""
"1529168","7.9263","","7.9263","","7.9263","","90","","90","","90","","497.98","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.94 Mo0.05) ((Mo0.94 Fe0.05) O6)","","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe3.96 Mo3.96 O24 Sr8 -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Serrate, D.; Morellon, L.; Ibarra, M.R.; Garcia, J.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152231","2020-10-21","18:00:00",""
"1529169","5.5538","","5.5538","","7.9076","","90","","90","","90","","243.908","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.91 (Fe0.75 Co0.18 Mo0.07) ((Mo0.93 Co0.07) O5.68)","","- Co0.25 Fe0.75 Mo O5.68 Sr1.91 -","- Co0.25 Fe0.75 Mo O5.682 Sr1.91 -","- Co0.5 Fe1.5 Mo2 O11.364 Sr3.82 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529170","7.9084","","7.9084","","7.9084","","90","","90","","90","","494.613","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr1.91 (Fe0.75 Co0.18 Mo0.07) ((Mo0.93 Co0.07) O5.68)","","- Co0.25 Fe0.75 Mo O5.68 Sr1.91 -","- Co0.25 Fe0.75 Mo O5.682 Sr1.91 -","- Co Fe3 Mo4 O22.728 Sr7.64 -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Morellon, L.; Serrate, D.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529172","3.8005","","3.8005","","12.521","","90","","90","","90","","180.851","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La0.8 Sr1.2) (Co O4)","","- Co La0.8 O4 Sr1.2 -","- Co La0.8 O4 Sr1.2 -","- Co2 La1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529173","3.7727","","3.7727","","12.381","","90","","90","","90","","176.222","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Nd0.8 Sr1.2) (Co O4)","","- Co Nd0.8 O4 Sr1.2 -","- Co Nd0.8 O4 Sr1.2 -","- Co2 Nd1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529174","3.7481","","3.7481","","12.16","","90","","90","","90","","170.827","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd Sr) (Co O4)","","- Co Gd O4 Sr -","- Co Gd O4 Sr -","- Co2 Gd2 O8 Sr2 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529175","3.749","","3.749","","12.23","","90","","90","","90","","171.893","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd0.9 Sr1.1) (Co O4)","","- Co Gd0.9 O4 Sr1.1 -","- Co Gd0.9 O4 Sr1.1 -","- Co2 Gd1.8 O8 Sr2.2 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529176","3.7502","","3.7502","","12.27","","90","","90","","90","","172.565","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd0.8 Sr1.2) (Co O4)","","- Co Gd0.8 O4 Sr1.2 -","- Co Gd0.8 O4 Sr1.2 -","- Co2 Gd1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529178","9.5477","","9.904","","10.1919","","90","","90","","90","","963.75","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Na9 (Co2 O7)","","- Co2 Na9 O7 -","- Co2 Na9 O7 -","- Co8 Na36 O28 -","4","1","","Sofin, M.; Jansen, M.; Peters, E.M.","Synthesis, structure and magnetic properties of Na9 Co2 O7, a new mixed-valent sodium cobaltate(II, III)","Solid State Sciences","2004","6","","339","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","152241","2020-10-21","18:00:00",""
"1529192","3.99372","","7.8428","","20.1609","","90","","90","","90","","631.479","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Ba Sr (Ta2 O7)","","- Ba O7 Sr Ta2 -","- Ba O7 Sr Ta2 -","- Ba4 O28 Sr4 Ta8 -","4","0.25","","le Berre, F.; Crosnier-Lopez, M.P.; Fourquet, J.L.","Cationic ordering in the new layerd perovskite Ba Sr Ta2 O7","Solid State Sciences","2004","6","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529194","13.16","0.007","16.367","0.008","19.701","0.01","90","","103.837","0.004","90","","4120","4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1412","0.0948","","","0.1451","0.1664","","","","","","1.126","","","","has coordinates,has disorder","170937","2020-10-21","18:00:00",""
"1529195","13.324","0.006","16.849","0.007","19.59","0.008","90","","104.35","0.005","90","","4261","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O2 Y2 -","- C98 H128 N6 O2 Y2 -","- C196 H256 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1024","0.0661","","","0.1386","0.1626","","","","","","1.061","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529196","13.2137","0.0009","17.8164","0.0009","18.8346","0.0012","90","","102.372","0.003","90","","4331.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O4 Y2 -","- C98 H128 N6 O4 Y2 -","- C196 H256 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.0681","0.0498","","","0.1025","0.113","","","","","","1.093","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529197","16.313","0.007","20.362","0.009","20.231","0.009","90","","92.019","0.004","90","","6716","5","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H100 N6 O2 Y2 -","- C70 H100 N6 O2 Y2 -","- C280 H400 N24 O8 Y8 -","4","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1091","0.0784","","","0.1337","0.1492","","","","","","1.109","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529198","15.639","0.007","17.514","0.008","16.24","0.008","90","","104.711","0.004","90","","4302","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1348","0.1176","","","0.1838","0.193","","","","","","1.29","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529199","13.492","0.012","13.673","0.012","19.028","0.018","90","","101.334","0.009","90","","3442","5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H104 N6 O4 Y2 -","- C72 H104 N6 O4 Y2 -","- C144 H208 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1414","0.0914","","","0.1563","0.1837","","","","","","1.063","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529200","12.902","0.01","21.925","0.016","16.088","0.013","90","","106.222","0.006","90","","4370","6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 N3 O2 Y -","- C47 H62 N3 O2 Y -","- C188 H248 N12 O8 Y4 -","4","1","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1641","0.1188","","","0.2648","0.3028","","","","","","1.111","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529203","11.5703","0.0012","11.7055","0.0013","21.152","0.002","86.747","0.005","83.81","0.005","75.03","0.005","2750.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[U(OCP)(amid)3].[0.5toluene]","","","- C43.5 H73 N6 O P Si6 U -","- C43.5 H73 N6 O P Si6 U -","- C87 H146 N12 O2 P2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0286","0.0279","","","0.07","0.0702","","","","","","1.371","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529204","11.4301","0.0009","21.3302","0.0016","24.614","0.002","99.881","0.004","90.073","0.004","95.606","0.004","5882.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Th(OCP)(amid)3","","","- C40 H69 N6 O P Si6 Th -","- C40 H69 N6 O P Si6 Th -","- C160 H276 N24 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0358","0.0282","","","0.0651","0.0683","","","","","","0.975","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529205","15.5201","0.0007","17.9868","0.0008","37.3806","0.0017","90","","97.783","0.002","90","","10338.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[U(NCO)L3]","","","- C40 H69 N7 O Si6 U -","- C40 H69 N7 O Si6 U -","- C320 H552 N56 O8 Si48 U8 -","8","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0314","0.0285","","","0.0539","0.0545","","","","","","1.319","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529206","11.2966","0.0019","23.057","0.004","23.27","0.004","66.405","0.006","87.39","0.006","77.614","0.006","5419.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H73 N7 O Si6 Th -","- C43.5 H73 N7 O Si6 Th -","- C174 H292 N28 O4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0226","0.0195","","","0.0469","0.0482","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529207","11.581","0.0007","11.6278","0.0007","21.115","0.0013","86.775","0.002","83.982","0.002","75.259","0.002","2733.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","U(NCS)(amid)3.toluene","","","- C43.5 H73 N7 S Si6 U -","- C43.5 H73 N7 S Si6 U -","- C87 H146 N14 S2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.03","0.0294","","","0.0794","0.0796","","","","","","1.383","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529208","11.6047","0.0006","11.6602","0.0006","21.204","0.0011","86.479","0.002","83.836","0.002","75.464","0.002","2759.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Th(NCS)(amid)3","","","- C43.5 H73 N7 S Si6 Th -","- C43.5 H73 N7 S Si6 Th -","- C87 H146 N14 S2 Si12 Th2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0282","0.0278","","","0.0779","0.0781","","","","","","1.417","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529209","14.8598","0.001","19.6824","0.0013","24.2681","0.0017","105.87","0.0027","101.321","0.0026","96.5472","0.0027","6587.8","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(amid)3Th(OCP)Ni(COD)].(hexane)0.75","","","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C210 H366 N24 Ni4 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0388","0.0333","","","0.0826","0.0857","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529210","10.9481","0.0017","39.559","0.007","24.446","0.004","90","","92.404","0.005","90","","10578","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H143 Cl N14 O5 -","- C114 H143 Cl N14 O5 -","- C456 H572 Cl4 N56 O20 -","4","1","","Galán, Albano; Valderrey, Virginia; Ballester, Pablo","Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule","Chem. Sci.","2015","6","11","6325","","10.1039/C5SC02024G","","","0.71073","MoKα","","0.1993","0.1225","","","0.3397","0.397","","","","","","1.381","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529211","15.281","0.004","3.8302","0.0009","24.754","0.004","90","","125.705","0.011","90","","1176.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0897","0.0718","","","0.2014","0.2162","","","","","","1.111","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529212","6.0914","0.0007","8.5177","0.0011","23.947","0.003","90","","90.598","0.007","90","","1242.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.169","0.1269","","","0.3426","0.392","","","","","","1.388","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529213","7.946","0.0007","9.4371","0.0009","9.6309","0.001","90","","100.506","0.003","90","","710.09","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0446","0.038","","","0.0998","0.1154","","","","","","1.085","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529214","17.5705","0.0012","22.6256","0.0012","24.6091","0.0011","90","","100.073","0.006","90","","9632.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 Dy N11 O -","- C92 H76 Dy N11 O -","- C368 H304 Dy4 N44 O4 -","4","1","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","1.54178","CuKα","","0.1302","0.0996","","","0.2531","0.2788","","","","","","0.934","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529215","31.8037","0.0011","17.264","0.0004","32.0054","0.0008","90","","102.045","0.003","90","","17186","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H157 Cl15 Dy2 N22 S2 -","- C189 H157 Cl15 Dy2 N22 S2 -","- C756 H628 Cl60 Dy8 N88 S8 -","4","0.5","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","0.71073","MoKα","","0.0973","0.0684","","","0.1745","0.1888","","","","","","1.038","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529216","9.5286","0.0002","10.2653","0.0003","21.7873","0.0005","90","","90","","90","","2131.1","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C104 H84 Cl4 N8 O8 -","4","1","","Li, Bao-Sheng; Wang, Yuhuang; Jin, Zhichao; Chi, Yonggui Robin","Cycloaddition of cyclobutenone and azomethine imine enabled by chiral isothiourea organic catalysts","Chem. Sci.","2015","6","10","6008","","10.1039/C5SC01972A","","","0.71073","MoKα","","0.0496","0.0369","","","0.0779","0.0847","","","","","","1.02","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529251","10.7013","0.0005","11.2094","0.0006","17.8097","0.0008","90.007","0.002","104.509","0.002","98.16","0.002","2045.87","0.17","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H3 B F32 N3 P -","- C42 H3 B F32 N3 P -","- C84 H6 B2 F64 N6 P2 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0567","0.0366","","","0.0773","0.0844","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529252","12.8405","0.0007","18.5144","0.0012","22.501","0.0013","90","","90.649","0.003","90","","5348.9","0.5","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H30 B F20 N3 P2 -","- C60 H30 B F20 N3 P2 -","- C240 H120 B4 F80 N12 P8 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.1836","0.0676","","","0.0893","0.112","","","","","","0.928","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529253","12.7734","0.0006","14.9217","0.0008","15.1042","0.0008","107.504","0.003","95.932","0.003","111.054","0.002","2489","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B F20 N3 P2 -","- C48 H54 B F20 N3 P2 -","- C96 H108 B2 F40 N6 P4 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0507","0.0357","","","0.0816","0.0886","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529254","11.7044","0.0005","16.5009","0.0007","18.3335","0.0007","86.77","0.002","76.082","0.002","83.169","0.002","3411","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 B Cl0 F2 N7 -","- C66 H52 B F20 N7 -","- C132 H104 B2 F40 N14 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.2521","0.224","","","0.5913","0.6199","","","","","","2.992","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529255","12.226","0.0004","23.2442","0.0006","14.116","0.0004","90","","107.089","0.001","90","","3834.42","0.19","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H15 B F20 N3 P -","- C42 H15 B F20 N3 P -","- C168 H60 B4 F80 N12 P4 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0617","0.0367","","","0.0779","0.0876","","","","","","1.009","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529258","11.4678","0.0017","19.447","0.003","15.154","0.002","90","","112.202","0.002","90","","3129","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H15 N4 O0.5 -","- C19.5 H15 N4 O0.5 -","- C156 H120 N32 O4 -","8","2","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0578","0.0395","","","0.096","0.1068","","","","","","1.039","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529259","8.5758","0.0012","14.436","0.002","17.199","0.003","79.43","0.004","89.672","0.004","84.686","0.005","2084","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 F10 Ir N6 O2 P -","- C44 H36 F10 Ir N6 O2 P -","- C88 H72 F20 Ir2 N12 O4 P2 -","2","1","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0784","0.0585","","","0.1063","0.1128","","","","","","0.992","","","","has coordinates","170926","2020-10-21","18:00:00",""
"1529260","6.2616","0.001","9.355","0.0015","11.752","0.002","87.526","0.01","88.241","0.01","86.453","0.009","686.17","0.19","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0731","0.0478","","","0.1154","0.1276","","","","","","1.02","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529261","25.0795","0.0018","25.0795","0.0018","13.9752","0.0013","90","","90","","120","","7612.5","1","135","0.5","135","0.5","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H19 N O -","- C20 H19 N O -","- C360 H342 N18 O18 -","18","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0699","0.0483","","","0.1181","0.1262","","","","","","1.071","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529262","14.0542","0.001","15.9871","0.0011","7.7187","0.0004","90","","91.974","0.004","90","","1733.25","0.19","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0915","0.0723","","","0.1985","0.2098","","","","","","1.051","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529263","7.5352","0.0003","16.1007","0.0006","30.3669","0.0012","90","","90","","90","","3684.2","0.2","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0535","0.0433","","","0.1077","0.114","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529264","7.2261","0.0003","13.4245","0.0005","18.999","0.0009","90","","90","","90","","1843.03","0.13","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0662","0.0523","","","0.1154","0.1215","","","","","","1.067","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529265","12.0196","0.0011","12.4522","0.0011","14.0202","0.0014","94.894","0.004","114.29","0.004","113.544","0.004","1673.4","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","2","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic–oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0998","0.0737","","","0.1912","0.2168","","","","","","1.035","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529286","11.135","0.002","11.644","0.003","12.132","0.003","97.161","0.002","111.866","0.002","112.432","0.002","1282.5","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","1","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0716","0.0447","","","0.1002","0.1149","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529287","12.0579","0.0014","17.329","0.002","27.445","0.003","90","","91.263","0.001","90","","5733.3","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl12 O6 P2 -","- C50 H52 Cl12 O6 P2 -","- C200 H208 Cl48 O24 P8 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0582","0.0421","","","0.1021","0.1097","","","","","","1.057","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529288","24.148","0.008","23.858","0.008","22.983","0.008","90","","117.759","0.004","90","","11717","7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C608 H384 O48 P16 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1705","0.142","","","0.3361","0.3457","","","","","","1.293","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529289","34.54","0.002","42.038","0.003","17.4446","0.0011","90","","100.248","0.003","90","","24925","3","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C1216 H768 O96 P32 -","8","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1835","0.1314","","","0.2918","0.3117","","","","","","1.233","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529290","25.827","0.005","22.684","0.004","22.259","0.004","90","","99.466","0.002","90","","12863","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C156 H100 Cl12 O12 P4 -","- C156 H100 Cl12 O12 P4 -","- C624 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1467","0.1035","","","0.2271","0.2534","","","","","","1.365","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529291","21.98","0.005","17.101","0.004","17.472","0.004","90","","90","","90","","6567","3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C164 H98 Cl6 O12 P4 -","- C164 H98 Cl6 O12 P4 -","- C328 H196 Cl12 O24 P8 -","2","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0771","0.058","","","0.1234","0.1303","","","","","","1.073","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529292","34.079","0.012","13.764","0.005","27.024","0.01","90","","103.463","0.004","90","","12328","8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C166 H100 Cl12 O12 P4 -","- C166 H100 Cl12 O12 P4 -","- C664 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.199","0.1447","","","0.3479","0.3803","","","","","","1.416","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529295","14.615","0.01","16.834","0.012","16.342","0.013","90","","112.456","0.008","90","","3716","5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 Cl Cr N2 O5 -","- C32 H50 Cl Cr N2 O5 -","- C128 H200 Cl4 Cr4 N8 O20 -","4","1","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.1168","0.0965","","","0.2448","0.2625","","","","","","1.082","","","","has coordinates,has disorder","155248","2020-10-21","18:00:00",""
"1529296","8.751","0.004","11.96","0.005","20.098","0.009","95.039","0.007","97.965","0.009","92.325","0.003","2072.2","1.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H51 Cl4 Cr N4 O4 -","- C38.5 H48 Cl4 Cr N4 O4 -","- C77 H96 Cl8 Cr2 N8 O8 -","2","1","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.0659","0.0616","","","0.1496","0.1535","","","","","","1.059","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529297","17.119","0.003","11.491","0.0018","37.818","0.006","90","","90","","90","","7439","2","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H54 Cl Cr N2 O6 -","- C38 H54 Cl Cr N2 O6 -","- C304 H432 Cl8 Cr8 N16 O48 -","8","2","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.0477","0.0446","","","0.1133","0.1177","","","","","","1.068","","","","has coordinates","155248","2020-10-21","18:00:00",""
"1529299","8.3147","0.0006","19.2037","0.0013","14.1567","0.001","90","","102.128","0.002","90","","2210","0.3","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H68 N6 O9 -","- C43 H67 N6 O9 -","- C86 H134 N12 O18 -","2","1","","Cayuela, Angelina; Kennedy, Stuart R.; Soriano, M. Laura; Jones, Christopher D.; Valcárcel, Miguel; Steed, Jonathan W.","Fluorescent carbon dot‒molecular salt hydrogels","Chem. Sci.","2015","6","11","6139","","10.1039/C5SC01859E","","","0.71073","MoKα","","0.0695","0.0572","","","0.1404","0.1492","","","","","","1.029","","","","has coordinates,has disorder","170980","2020-10-21","18:00:00",""
"1529300","8.5132","0.0005","21.0477","0.0013","7.2003","0.0004","90","","113.595","0.002","90","","1182.31","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N3 O2 -","- C13 H14 N3 O2 -","- C52 H56 N12 O8 -","4","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","","0.71073","MoKα","","0.0502","0.0463","","","0.129","0.1325","","","","","","1.064","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529301","6.2877","0.0007","8.8655","0.0009","12.0399","0.0013","102.993","0.005","91.548","0.006","92.63","0.006","652.79","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C26 H36 N6 O6 -","2","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin–protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","1.54178","CuKα","","0.049","0.0427","","","0.1156","0.1203","","","","","","1.059","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529302","5.0339","0.0009","37.994","0.007","7.136","0.0011","90","","110.533","0.011","90","","1278.1","0.4","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Cl2 N6 O5 -","- C24 H29 Cl2 N6 O5 -","- C48 H58 Cl4 N12 O10 -","2","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.0944","0.0751","","","0.1702","0.178","","","","","","1.188","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529303","14.0292","0.0011","22.3313","0.0016","9.5059","0.001","90","","92.95","0.002","90","","2974.2","0.4","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H26 F7.5 N6 Na0.5 O9 -","- C26 H26 F7.5 N6 Na0.5 O9 -","- C104 H104 F30 N24 Na2 O36 -","4","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.1943","0.1119","","","0.2863","0.3458","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529308","20.8774","0.0006","15.8099","0.0005","30.488","0.0009","90","","99.1261","0.0018","90","","9935.8","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","beta-to-beta Pt(II)-bridged diporphyrin","","- C106 H120 Cl6 N8 Pt -","- C106 H120 Cl6 N8 Pt -","- C424 H480 Cl24 N32 Pt4 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0707","","","0.1632","0.1792","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529309","14.8426","0.0003","20.11","0.0004","21.2677","0.0004","63.3696","0.0007","78.2695","0.0007","71.6398","0.0007","5371.33","0.19","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","beta-to-beta Pt(II)-bridged Zn(II) diporphyrin","","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C222 H246 Cl18 N16 O8 Pt2 Zn4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0791","","","0.2151","0.2363","","","","","","1.011","","","","has coordinates,has disorder","170988","2020-10-21","18:00:00",""
"1529310","19.4832","0.001","20.2466","0.0016","21.267","0.003","86.76","0.02","81.4","0.02","67.434","0.011","7659.8","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","2-2, 18-18-doubly Pt(II)-bridged Ni(II) diporphyrin","","- C147.31 H169.64 Cl21.9 N8 Ni2 Pt2 -","- C147.31 H169.635 Cl21.9 N8 Ni2 Pt2 -","- C294.62 H339.27 Cl43.8 N16 Ni4 Pt4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0701","0.0685","","","0.1561","0.157","","","","","","1.068","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529311","64.086","0.014","12.967","0.003","40.547","0.008","90","","102.6","0.005","90","","32883","12","93","2","93","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","2-2 Pt(II)(PPh3)2-bridged 18-18 directlylinked Ni(II) diporphyrin","","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C1318.4 H1392 Cl96 N64 Ni16 O8 P16 Pt8 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.1095","0.0947","","","0.2538","0.271","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529312","31.53","0.01","8.731","0.002","36.552","0.013","90","","113.582","0.011","90","","9222","5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-2-directly-linked Zn(II) diporphyrin","","- C107 H113 Cl3 N10 Zn2 -","- C107 H113 Cl3 N10 Zn2 -","- C428 H452 Cl12 N40 Zn8 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0754","0.0553","","","0.147","0.1642","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529313","10.2391","0.0006","11.4922","0.0006","24.9637","0.0012","91.304","0.0013","98.318","0.0017","114.935","0.0014","2624.1","0.2","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H29 Br N O6 P -","- C27 H29 Br N O6 P -","- C108 H116 Br4 N4 O24 P4 -","4","4","","Horwitz, Matthew A.; Tanaka, Naoya; Yokosaka, Takuya; Uraguchi, Daisuke; Johnson, Jeffrey S.; Ooi, Takashi","Enantioselective reductive multicomponent coupling reactions between isatins and aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6086","6090","10.1039/C5SC02170G","","","0.71073","MoKα","","0.0453","0.0399","","","0.1044","0.1249","","","","","","1.077","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529314","10.072","0.002","38.683","0.008","14.706","0.003","90","","98.28","0.03","90","","5670","2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 Co2 F12 N8 O5 -","- C52 H66 Co2 F12 N8 O5 -","- C208 H264 Co8 F48 N32 O20 -","4","1","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1184","0.0609","","","0.1429","0.1731","","","","","","1.0361","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529315","10.8136","0.0003","27.533","0.0007","29.5266","0.0008","90","","90","","90","","8791","0.4","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C44 H52 Co2 K2 N6 O4 -","- C44 H52 Co2 K2 N6 O4 -","- C352 H416 Co16 K16 N48 O32 -","8","","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","1.54178","CuKα","","0.0315","0.0288","","","0.0791","0.0811","","","","","","1.028","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529316","14.064","0.003","14.064","0.003","27.143","0.005","90","","90","","120","","4649.5","1.6","110","2","110","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C70 H79 Co2 N9 O4 -","- C70 H79 Co2 N9 O4 -","- C210 H237 Co6 N27 O12 -","3","0.5","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C–H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1305","0.0814","","","0.2058","0.2493","","","","","","1.052","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529321","36.2659","0.0002","36.2659","0.0002","36.2659","0.0002","90","","90","","90","","47697.5","0.5","150","2","150","2","","","","","","","","4","F 4 3 2","F 4 2 3","209","","","","- C56 H68 N4 O13 -","- C56 H68 N4 O13 -","- C1344 H1632 N96 O312 -","24","0.25","","Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I.","Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy","Chem. Sci.","2015","6","11","6133","","10.1039/C5SC02196K","","","1.54178","CuKα","","0.1253","0.1157","","","0.3037","0.3188","","","","","","1.323","","","","has coordinates,has disorder","170985","2020-10-21","18:00:00",""
"1529322","11.3191","0.0005","11.464","0.0005","18.1291","0.0007","93.847","0.003","101.554","0.003","114.578","0.003","2065.9","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-isopropyl-1-(4-methoxyphenyl)-5-(o-tolyl)-1H-pyrrole-2-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0902","0.0515","","","0.1329","0.1745","","","","","","1.03","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529323","9.9721","0.0005","14.3477","0.0007","15.3171","0.001","90","","106.912","0.002","90","","2096.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-oxo-2,10b-diphenyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxylate","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0895","0.0528","","","0.1302","0.1661","","","","","","1.098","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529324","9.3667","0.0013","13.6119","0.0019","13.6823","0.0019","77.1774","0.0015","87.8299","0.0016","79.1523","0.0016","1670.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H19 Bi F9 N5 O9 S3 -","- C25 H19 Bi F9 N5 O9 S3 -","- C50 H38 Bi2 F18 N10 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0646","0.0517","","","0.1394","0.1466","","","","","","1.053","","","","has coordinates","170991","2020-10-21","18:00:00",""
"1529325","11.6535","0.0004","14.5562","0.0005","14.588","0.0005","88.2712","0.0004","80.7875","0.0004","88.0482","0.0004","2440.47","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H51 F9 N5 O9 P S3 -","- C41 H51 F9 N5 O9 P S3 -","- C82 H102 F18 N10 O18 P2 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0651","0.0502","","","0.1278","0.1398","","","","","","1.047","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529326","15.0217","0.0006","18.4434","0.0008","31.1243","0.0013","93.909","0.0006","101.339","0.0006","99.3536","0.0006","8297.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.67 H56.5 As F9 N6.83 O9 S3 -","- C44.6667 H56.5 As F9 N6.83333 O9 S3 -","- C268 H339 As6 F54 N41 O54 S18 -","6","3","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0734","0.0451","","","0.1061","0.1208","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529327","14.0078","0.0005","17.6534","0.0006","22.0396","0.0007","90","","108.34","0.0004","90","","5173.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 F9 N5 O9 S3 Sb -","- C41 H51 F9 N5 O9 S3 Sb -","- C164 H204 F36 N20 O36 S12 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0324","0.0292","","","0.0761","0.0788","","","","","","1.036","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529328","13.2699","0.0007","15.788","0.0008","20.4958","0.001","76.0415","0.0007","87.922","0.0007","73.566","0.0007","3994.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34.5 F9 N7.5 O9 P S3 -","- C25 H31.5 F9 N6.5 O9 P S3 -","- C100 H126 F36 N26 O36 P4 S12 -","4","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0746","0.0544","","","0.1577","0.1744","","","","","","1.087","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529329","12.3457","0.0011","13.3802","0.0012","14.5721","0.0013","81.4461","0.0011","66.6056","0.001","72.0828","0.0011","2101.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 As F9 N8 O9 S3 -","- C28 H36 As F9 N8 O9 S3 -","- C56 H72 As2 F18 N16 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0446","0.0364","","","0.096","0.1008","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529330","28.5371","0.0009","13.8414","0.0005","21.8775","0.0007","90","","124.553","0.0013","90","","7117.1","0.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 F9 N6 O9 P S3 -","- C27 H22 F9 N6 O9 P S3 -","- C216 H176 F72 N48 O72 P8 S24 -","8","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","x-ray","0.71073","MoKα","","0.0671","0.0491","","","0.109","0.1157","","","","","","1.13","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529345","14.2754","0.0005","16.7152","0.0006","18.3801","0.0007","66.601","0.002","89.641","0.002","87.421","0.002","4020.7","0.3","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","(PNP)Ir=C=C(4-Me-C6H4)(Bpin)","","- C41 H59 B Ir N O2 P2 -","- C41 H59 B Ir N O2 P2 -","- C164 H236 B4 Ir4 N4 O8 P8 -","4","2","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0375","0.0258","","","0.0536","0.0559","","","","","","0.997","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529346","15.139","0.002","11.8769","0.0019","23.409","0.004","90","","95.654","0.002","90","","4188.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(Bpin)2","","- C38 H64 B2 Ir N O4 P2 -","- C38 H64 B2 Ir N O4 P2 -","- C152 H256 B8 Ir4 N4 O16 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","0.71073","MoKα","","0.0394","0.0296","","","0.0638","0.0678","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529347","14.781","0.005","26.065","0.009","12.544","0.005","90","","107.16","0.019","90","","4618","3","110.15","","110.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(pi-alkynylboronate)","","- C47 H61 B F4 Ir N O2 P2 -","- C47 H61 B F4 Ir N O2 P2 -","- C188 H244 B4 F16 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.1014","0.0662","","","0.1512","0.1707","","","","","","1.015","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529348","14.792","0.003","17.546","0.002","14.1242","0.0019","90","","110.435","0.006","90","","3435.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(H)(Bpin)","","- C32 H53 B Ir N O2 P2 -","- C32 H53 B Ir N O2 P2 -","- C128 H212 B4 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0382","0.0303","","","0.0707","0.0726","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529364","15.5474","0.0012","9.9548","0.0008","19.6379","0.0015","90","","92.862","0.004","90","","3035.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[k2-(CF2)4-](ItBu)[P(OiPr)3]2","","","- C24 H41 F8 N2 Ni O3 P -","- C24 H41 F8 N2 Ni O3 P -","- C96 H164 F32 N8 Ni4 O12 P4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0399","0.0326","","","0.0838","0.088","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529365","10.8851","0.0004","15.544","0.0006","18.9208","0.0007","90","","90","","90","","3201.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni[k2-(CF2)4-](SIPr)]","","","- C31 H38 F8 N2 Ni -","- C31 H38 F8 N2 Ni -","- C124 H152 F32 N8 Ni4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0318","0.0266","","","0.0643","0.0663","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529366","10.2361","0.0005","16.5042","0.0008","22.6115","0.0011","90","","90.96","0.002","90","","3819.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[κ1-(cyclo-C4F7)](SIPr)(OTf)","","","- C35 H45 F10 N2 Ni O3 S -","- C35 H45 F10 N2 Ni O3 S -","- C140 H180 F40 N8 Ni4 O12 S4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0727","0.058","","","0.141","0.1513","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529367","9.7181","0.0004","18.216","0.0007","19.2228","0.0007","90","","92.18","0.002","90","","3400.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni[k3-(CF2)3CF(O2CCH3)-}(SIPr)]","","","- C33 H41 F7 N2 Ni O2 -","- C33 H41 F7 N2 Ni O2 -","- C132 H164 F28 N8 Ni4 O8 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.1053","0.0687","","","0.1292","0.1475","","","","","","1.062","","","","has coordinates","170982","2020-10-21","18:00:00",""
"1529368","16.5255","0.0008","10.6186","0.0005","20.8839","0.0009","90","","101.931","0.002","90","","3585.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 F8 N2 Ni O -","- C37 H46 F8 N2 Ni O -","- C148 H184 F32 N8 Ni4 O4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0376","0.0299","","","0.0782","0.0831","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529378","11.962","0.007","15.81","0.009","19.746","0.01","97.277","0.006","99.848","0.012","100.275","0.013","3572","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C87 H75 N4 O4 -","- C87 H75 N4 O4 -","- C174 H150 N8 O8 -","2","1","","Katoono, Ryo; Kawai, Shunsuke; Fujiwara, Kenshu; Suzuki, Takanori","Controllability of dynamic double helices: quantitative analysis of the inversion of a screw-sense preference upon complexation","Chem. Sci.","2015","6","11","6592","","10.1039/C5SC02614H","","","0.71075","MoKα","","","0.1048","","","","0.188","","","","","","1.314","","","","has coordinates","170987","2020-10-21","18:00:00",""
"1529389","11.4483","0.0007","43.06","0.002","24.522","0.0014","90","","90","","90","","12088.5","1.2","143","1","143","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C68 H60 Ce Li4 N12 -","- C68 H60 Ce Li4 N12 -","- C544 H480 Ce8 Li32 N96 -","8","0.25","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.03","0.0248","","","0.061","0.0639","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529390","13.9504","0.0007","16.2467","0.0009","19.0053","0.0011","83.136","0.003","83.696","0.003","84.993","0.003","4238.8","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H80 Ce N16 Na4 -","- C88 H80 Ce N16 Na4 -","- C176 H160 Ce2 N32 Na8 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0649","0.0487","","","0.1125","0.1184","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529391","15.2003","0.0012","15.4668","0.0012","18.0353","0.0015","93.849","0.005","101.333","0.005","107.292","0.005","3933.7","0.6","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H75 Ce K5 N15 -","- C83 H75 Ce K5 N15 -","- C166 H150 Ce2 K10 N30 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0879","0.0556","","","0.138","0.157","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529392","30.3531","0.001","5.0918","0.0002","16.0639","0.0005","90","","90","","90","","2482.71","0.15","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","LadderA","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H.","Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly","Polym. Chem.","2015","6","38","6792","","10.1039/C5PY01154J","","","1.54178","CuKα","","0.0862","0.0706","","","0.1849","0.1994","","","","","","1.054","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529394","10.7741","0.0003","13.3826","0.0004","16.275","0.0005","82.3193","0.0016","83.5313","0.0013","77.923","0.0013","2265.39","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H130 N4 O6 Si4 Y2 -","- C96 H130 N4 O6 Si4 Y2 -","- C96 H130 N4 O6 Si4 Y2 -","1","0.5","","Altenbuchner, P. T.; Adams, F.; Kronast, A.; Herdtweck, E.; Pöthig, A.; Rieger, B.","Stereospecific catalytic precision polymerization of 2-vinylpyridine via rare earth metal-mediated group transfer polymerization with 2-methoxyethylamino-bis(phenolate)-yttrium complexes","Polym. Chem.","2015","6","38","6796","","10.1039/C5PY01146A","","x-ray","0.71073","MoKα","","0.0479","0.0402","","","0.1091","0.1137","","","","","","1.064","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529403","38.86","0.002","15.6626","0.0009","22.7308","0.0017","90","","125.774","0.003","90","","11224.8","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 Br2 N4 Si2 -","- C57 H79 Br2 N4 Si2 -","- C456 H632 Br16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0867","0.0429","","","0.0811","0.095","","","","","","1.006","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529404","38.872","0.002","15.6801","0.0009","22.7851","0.0013","90","","125.507","0.002","90","","11305.4","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 I2 N4 Si2 -","- C57 H79 I2 N4 Si2 -","- C456 H632 I16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.042","0.0281","","","0.0644","0.0709","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529405","19.9019","0.0015","20.2022","0.0015","20.2072","0.0015","90","","99.189","0.004","90","","8020.3","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B F21 I N4 Si2 -","- C84 H77 B F21 I N4 Si2 -","- C336 H308 B4 F84 I4 N16 Si8 -","4","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0652","0.0371","","","0.0933","0.104","","","","","","1.022","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529407","15.3682","0.0007","15.9908","0.0007","17.5923","0.001","72.813","0.003","69.832","0.004","68.859","0.003","3712.1","0.3","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1064","0.0822","","","0.2053","0.2222","","","","","","0.944","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529408","15.0589","0.0005","15.8311","0.0005","18.4096","0.0006","75.382","0.002","67.031","0.002","68.819","0.002","3736","0.2","100.02","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0699","0.0599","","","0.1728","0.1831","","","","","","1.08","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529409","15.1719","0.001","15.9218","0.001","18.3985","0.0012","75.334","0.002","66.781","0.002","68.243","0.002","3763.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(TPyA)2 Fe2 (NMePh)L(2-)] 2BArF 2THF","","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0675","0.0631","","","0.1802","0.1864","","","","","","1.074","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529410","14.8476","0.0004","15.9017","0.0004","18.21","0.0005","75.56","0.002","67.648","0.002","68.82","0.002","3676.39","0.18","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","[(TPyA)2 Co2 (NMePh)L2-] 2BArF","","- C134 H76 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0934","0.0668","","","0.1773","0.1936","","","","","","1.066","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529411","15.17","0.0006","15.9112","0.0006","30.3415","0.0011","90.924","0.002","97.35","0.002","115.288","0.002","6546.9","0.4","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","[(TPyA)2 Cr2 (NMePh)L(3-)] 3(BPh4) 2(CH3CN)","","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1117","0.0812","","","0.2147","0.2395","","","","","","1.008","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529415","9.0302","0.0011","10.7298","0.0011","13.2534","0.0013","93.47","0.008","92.319","0.009","93.973","0.009","1277.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl O3 S -","- C31 H23 Cl O3 S -","- C62 H46 Cl2 O6 S2 -","2","1","","Chen, Zhen-Zhen; Liu, Shuai; Hao, Wen-Juan; Xu, Ge; Wu, Shuo; Miao, Jiao-Na; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Catalytic arylsulfonyl radical-triggered 1,5-enyne-bicyclizations and hydrosulfonylation of α,β-conjugates.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6654","6658","10.1039/c5sc02343b","","","0.71073","MoKα","","0.1365","0.0644","","","0.111","0.1542","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529425","23.8013","0.0006","23.8013","0.0006","13.6022","0.0005","90","","90","","120","","6673.3","0.3","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene hydrate octakis-dimethylacetamide solvate","","- C131 H158 N8 O15 P6 Pt3 -","- C123 H141 N6 O13 P6 Pt3 -","- C246 H282 N12 O26 P12 Pt6 -","2","0.166667","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0828","0.0803","","","0.1886","0.1897","","","","","","1.203","","","","has coordinates,has disorder","170970","2020-10-21","18:00:00",""
"1529426","14.86","0.003","23.898","0.005","15.103","0.003","90","","98.87","0.03","90","","5299.3","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene dihydrate dimethylacetamide (2/1.3) methanol (1/0.5) solvate","","- C104.7 H101.78 N1.3 O9.84 P6 Pt3 -","- C104.7 H97.7 N1.3 O9.84 P6 Pt3 -","- C209.4 H195.4 N2.6 O19.68 P12 Pt6 -","2","1","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0625","0.0474","","","0.1255","0.1373","","","","","","1.041","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529427","23.5964","0.0004","37.347","0.0006","40.0789","0.0006","90","","90","","90","","35319.7","1","110","0.1","110","0.1","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5-[4-[(2-methoxy-4-nitro-phenylcarbonyl)-amino]phenyl]-10,15,20-triphenyl porphyrin","","- C52.59 H37.19 Cl1.19 N6 O4 -","- C52.595 H37.18 Cl1.19 N6 O4 -","- C1683.04 H1189.76 Cl38.08 N192 O128 -","32","","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.7107","MoKα","","0.0712","0.0578","","","0.1587","0.1693","","","","","","1.035","","","","has coordinates","170979","2020-10-21","18:00:00",""
"1529428","12.9474","0.0005","15.8804","0.0005","17.3277","0.0006","98.752","0.003","92.264","0.003","106.821","0.003","3357.4","0.2","110","0.1","110","0.1","","","","","","","","9","P -1","-P 1","2","","5-{4-[Rhenium(I)tricarbonyl(3-picoline)-4-methyl-2,2?-bipyridine- 4?-carboxyamidyl]phenyl}-10,15,20-triphenylporphyrinatozinc(II) hexafluorophosphate","","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C135 H98 Cl10 F12 N16 O8 P2 Re2 Zn2 -","2","1","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.71073","MoKα","","0.0809","0.0659","","","0.1868","0.1986","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529430","18.646","0.002","12.596","0.0009","14.6475","0.0012","90","","112.453","0.011","90","","3179.4","0.5","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Na O6 -","- C36 H41 Na O6 -","- C144 H164 Na4 O24 -","4","1","","Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide","Catal. Sci. Technol.","2016","6","2","515","","10.1039/C5CY01194A","","","0.71073","MoKα","","0.2022","0.0784","","","0.143","0.2064","","","","","","0.988","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529471","11.7916","0.0018","13.46","0.002","18.239","0.003","86.434","0.003","88.133","0.003","69.802","0.002","2711.3","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H50 B2 F15 Mg N3 O3 -","- C53 H46 B2 F15 Mg N3 O3 -","- C106 H92 B4 F30 Mg2 N6 O6 -","2","1","","Lampland, Nicole L.; Pindwal, Aradhana; Neal, Steven R.; Schlauderaff, Shealyn; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydrosilylation of α,β-unsaturated esters","Chem. Sci.","2015","6","12","6901","","10.1039/C5SC02435H","","","0.71073","","","0.0777","0.0492","","","0.161","0.2004","","","","","","0.73","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529474","22.448","0.006","6.0248","0.0016","11.443","0.003","90","","97.517","0.005","90","","1534.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(4-(tert-butyl)phenyl)-2-(iodomethyl)-3,3-dimethyloxirane","","- C15 H21 I O -","- C15 H21 I O -","- C60 H84 I4 O4 -","4","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0363","0.034","","","0.0876","0.0898","","","","","","1.063","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529475","10.31","0.01","7.955","0.008","11.875","0.012","90","","90.15","0.02","90","","973.9","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-1-(2,4-dinitrophenyl)-2-(2-(iodomethyl)-2-phenylcyclohexylidene)hydrazine","","- C19 H19 I N4 O4 -","- C19 H19 I N4 O4 -","- C38 H38 I2 N8 O8 -","2","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0414","0.0375","","","0.1044","0.1078","","","","","","1.043","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529476","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","4","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C396 H324 Br36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1237","0.1187","","0.2646","0.2614","0.264","","","","","","0.9439","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529477","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","5","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C54 H90 Br2 N2 O4 -","- C54 H90 Br2 N2 O4 -","- C972 H1620 Br36 N36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1872","0.1799","","0.3454","0.3418","0.3446","","","","","","0.9874","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529478","39.973","0.004","39.973","0.004","18.0631","0.0018","90","","90","","120","","24995","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0559","0.0506","","0.1033","0.1","0.103","","","","","","0.9136","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529479","39.896","0.004","39.896","0.004","18.0796","0.0017","90","","90","","120","","24922","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0755","0.0573","","0.1415","0.1264","0.1415","","","","","","0.9515","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529504","8.2952","0.0004","20.7323","0.0009","22.0577","0.001","90","","100.587","0.002","90","","3728.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 Br2 N3 O2 S2 -","- C30 H21 Br2 N3 O2 S2 -","- C120 H84 Br8 N12 O8 S8 -","4","1","","Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei","Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor‒acceptor conjugated polymers for electrochromic applications","Polym. Chem.","2015","6","43","7570","","10.1039/C5PY01129A","","","1.54178","CuKα","","0.0891","0.0776","","","0.2322","0.2454","","","","","","1.091","","","","has coordinates,has disorder","171375","2020-10-21","18:00:00",""
"1529505","13.4552","0.0006","13.6974","0.0007","14.8065","0.0006","78.712","0.002","73.88","0.002","76.746","0.002","2526.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Br2 N3 O4 -","- C30 H21 Br2 N3 O4 -","- C120 H84 Br8 N12 O16 -","4","2","","Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei","Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor–acceptor conjugated polymers for electrochromic applications","Polym. Chem.","2015","6","43","7570","","10.1039/C5PY01129A","","","0.71073","MoKα","","0.0842","0.0417","","","0.076","0.0876","","","","","","1.011","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529506","14.321","0.0008","8.9769","0.0005","11.71","0.0007","90","","91.66","0.002","90","","1504.78","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0232","0.0232","","","0.0611","0.0612","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529507","6.3155","0.0003","7.7433","0.0004","15.0935","0.0009","90","","100.579","0.003","90","","725.57","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0386","0.0382","","","0.0971","0.0976","","","","","","1.043","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529508","14.3185","0.001","8.9738","0.0006","11.7148","0.0008","90","","91.675","0.003","90","","1504.61","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0233","0.0233","","","0.0593","0.0594","","","","","","1.055","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529509","6.309","0.002","7.753","0.002","15.117","0.005","90","","100.736","0.014","90","","726.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0237","0.0234","","","0.0573","0.0576","","","","","","1.014","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529623","10.43","","10.43","","13.85","","90","","90","","120","","1304.81","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","K Ca2 (Be2 Al) (Si12 O30)","","- Al Be2 Ca2 K O30 Si12 -","- Al0.999 Be2.001 Ca2 K O30 Si12 -","- Al1.998 Be4.002 Ca4 K2 O60 Si24 -","2","0.0833333","","Belov, N.V.; Tarkhova, T.N.","The crystal structure of milarite","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1951","6","","83","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529640","6.0278","","6.0278","","27.6","","90","","90","","120","","868.475","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Mg8.5 (As O4)2 (As O6) O2","","- As3 Mg8.5 O16 -","- As3 Mg8.499 O16 -","- As9 Mg25.497 O48 -","3","0.0833333","","Bless, P.W.; Kostiner, E.","The crystal structure of magnesium arsenate, Mg8.5 As3 O16","Journal of Solid State Chemistry","1973","6","","80","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","154121","2020-10-21","18:00:00",""
"1529909","5.606","","5.606","","22.446","","90","","90","","120","","610.908","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag3 Al22 O34 -","- Ag3 Al22 O33.9998 -","- Ag3 Al22 O33.9998 -","1","0.0416667","","England, W.A.; Jacobson, A.J.; Tofield, B.C.","Structural studies of highly non-stoichiometric polycrystalline sodium and silver beta-aluminas","Solid State Ionics","1982","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529910","5.601","","5.601","","22.54","","90","","90","","120","","612.373","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na2.74 Al22 O38","","- Al22 Na2.74 O38 -","- Al22 Na2.76 O38 -","- Al22 Na2.76 O38 -","1","0.0416667","","England, W.A.; Jacobson, A.J.; Tofield, B.C.","Structural studies of highly non-stoichiometric polycrystalline sodium and silver beta-aluminas","Solid State Ionics","1982","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","154822","2020-10-21","18:00:00",""
"1530225","21.524","","8.345","","14.42","","90","","90","","90","","2590.09","","","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","K (Pt (N H3) Br3) (H2 O)","","- Br3 H5 K N O Pt -","- Br3 H5 K N O Pt -","- Br36 H60 K12 N12 O12 Pt12 -","12","1.5","","Kukina, G.A.; Bokii, G.B.","Roentgenostructural investigation of the monohydrates of potassium trichlorineammoniaplatinate and potassium tribromineammoniaplatinate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530226","21.048","","8.123","","13.55","","90","","90","","90","","2316.68","","","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","K (Pt N H3 Cl3) (H2 O)","","- Cl3 H5 K N O Pt -","- Cl3 H5 K N O Pt -","- Cl36 H60 K12 N12 O12 Pt12 -","12","1.5","","Kukina, G.A.; Bokii, G.B.","Roentgenostructural investigation of monohydrates potassium trichlorineammoniaplatinate and potassium tribromineammoniaplatinate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530350","7.3036","","7.3036","","7.3036","","90","","90","","90","","389.593","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na Mn7 O12","","- Mn7 Na O12 -","- Mn7 Na O12 -","- Mn14 Na2 O24 -","2","0.0416667","","Marezio, M.; Dernier, P.D.; Chenavas, J.; Joubert, J.C.","High pressure synthesis and crystal structure of Na Mn7 O12","Journal of Solid State Chemistry","1973","6","","16","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530394","16.1937","0.0015","43.708","0.004","33.799","0.003","90","","92.7924","0.0013","90","","23894","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C273 H261 Cl14 N O4 -","- C273 H261 Cl14 N O4 -","- C1092 H1044 Cl56 N4 O16 -","4","1","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.2912","0.1421","","","0.3422","0.3803","","","","","","1.675","","","","has coordinates,has disorder","170956","2020-10-21","18:00:00",""
"1530395","12.9767","0.0009","10.3514","0.0006","15.6662","0.0009","90","","105.739","0.005","90","","2025.5","0.2","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Br2 -","- C46 H52 Br2 -","- C92 H104 Br4 -","2","0.5","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.0726","0.0383","","","0.0832","0.101","","","","","","1.021","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530396","12.3629","0.0016","12.8888","0.0019","13.1011","0.0018","90","","90","","90","","2087.6","0.5","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark","Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii)","Chem. Sci.","2015","6","12","6823","","10.1039/C5SC02854J","","","0.71073","MoKα","","0.0543","0.0438","","","0.0949","0.1","","","","","","1.067","","","","has coordinates","170958","2020-10-21","18:00:00",""
"1530411","4.379","","13.502","","5.446","","90","","91.72","","90","","321.851","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Te (V O4)","","- O4 Te V -","- O4 Te V -","- O16 Te4 V4 -","4","1","","Meunier, G.; Darriet, J.; Galy, J.","L'oxyde double Te V O4. II. Structure cristalline de Te V O4-beta - Relations structurales","Journal of Solid State Chemistry","1973","6","","67","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530498","5.531","","11.041","","8.241","","90","","90","","100.17","","495.352","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","Na2 Zn (S O4)2 (H2 O)2.22 (D2 O)1.78","","- D3.56 H4.44 Na2 O12 S2 Zn -","- D3.56 H4.44 Na2 O12 S2 Zn -","- D7.12 H8.88 Na4 O24 S4 Zn2 -","2","0.5","","Nozik, Yu.Z.; Fykin, L.E.","The position of hydrogen atoms and isotopic effects in the hydrogen bonds in Zn-astrakhanite","European Crystallographic Meeting","1980","6","","109","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530583","21.055","","10.233","","10.121","","90","","110.48","","90","","2042.8","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2.38 Sb3.62 Ti0.38 O11","","- K2.38 O11 Sb3.62 Ti0.38 -","- K2.38 O11 Sb3.62 Ti0.38 -","- K19.04 O88 Sb28.96 Ti3.04 -","8","2","","Piffard, Y.; Marchand, R.; Tournoux, M.","Structure cristalline de K2.38 Sb3.62 Ti0.38 O11. Relation structurale entre K2.38 Sb3.62 Ti0.38 O11 et K2 Sb4 O11","Annales de Chimie (Paris)","1981","6","","419","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530691","23.591","0.002","10.436","0.0011","15.7392","0.0016","90","","101.118","0.002","90","","3802.2","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(sIMes)2CoCl","","- C42 H52 Cl Co N4 -","- C42 H52 Cl Co N4 -","- C168 H208 Cl4 Co4 N16 -","4","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0889","0.0514","","","0.1257","0.1461","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530692","29.581","0.003","11.9267","0.0011","32.317","0.003","90","","101.11","0.002","90","","11187.9","1.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Co(sMes)2][BPh4]","","- C66 H72 B Co N4 -","- C66 H72 B Co N4 -","- C528 H576 B8 Co8 N32 -","8","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0969","0.0543","","","0.141","0.1669","","","","","","1.012","","","","has coordinates","170955","2020-10-21","18:00:00",""
"1530693","14.0529","0.001","14.0529","0.001","18.2643","0.0018","90","","90","","90","","3606.9","0.5","140","2","140","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Co(IAd)2][BArF4]","","- C78 H76 B Co F24 N4 -","- C78 H76 B Co F24 N4 -","- C156 H152 B2 Co2 F48 N8 -","2","0.25","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0948","0.0656","","","0.1841","0.2084","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530694","9.127","0.002","9.176","0.002","10.453","0.003","102.454","0.009","105.352","0.009","97.467","0.009","807.9","0.3","300","2","300.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Fe2 N O6 S2 -","- C11 H7 Fe2 N O6 S2 -","- C22 H14 Fe4 N2 O12 S4 -","2","1","","Tooley, C. A.; Pazicni, S.; Berda, E. B.","Toward a tunable synthetic [FeFe] hydrogenase mimic: single-chain nanoparticles functionalized with a single diiron cluster","Polym. Chem.","2015","6","44","7646","","10.1039/C5PY01196E","","x-ray","0.71073","MoKα","","0.0525","0.0334","","","0.0762","0.0845","","","","","","1.017","","","","has coordinates","171370","2020-10-21","18:00:00",""
"1530695","6.8072","0.0009","18.152","0.002","13.3181","0.0016","90","","90.497","0.004","90","","1645.6","0.3","300","2","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Fe2 N O6 S2 -","- C11 H9 Fe2 N O6 S2 -","- C44 H36 Fe8 N4 O24 S8 -","4","1","","Tooley, C. A.; Pazicni, S.; Berda, E. B.","Toward a tunable synthetic [FeFe] hydrogenase mimic: single-chain nanoparticles functionalized with a single diiron cluster","Polym. Chem.","2015","6","44","7646","","10.1039/C5PY01196E","","x-ray","0.71073","MoKα","","0.038","0.0273","","","0.064","0.0692","","","","","","1.043","","","","has coordinates","171370","2020-10-21","18:00:00",""
"1530696","18.901","0.002","7.5595","0.0009","17.833","0.002","90","","111.235","0.002","90","","2375","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H21 N1.5 O6 P1.5 -","- C27 H21 N1.5 O6 P1.5 -","- C108 H84 N6 O24 P6 -","4","1","","Abbassi, Leïla; Chabre, Yoann M.; Kottari, Naresh; Arnold, Alexandre A.; André, Sabine; Josserand, Johan; Gabius, Hans-Joachim; Roy, René","Multifaceted glycodendrimers with programmable bioactivity through convergent, divergent, and accelerated approaches using polyfunctional cyclotriphosphazenes","Polym. Chem.","2015","6","44","7666","","10.1039/C5PY01283J","","","0.71073","MoKα","","0.0366","0.031","","","0.0667","0.0693","","","","","","1.022","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530821","4.33","","4.33","","30.4","","90","","90","","120","","493.606","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Bi0.5 Sb0.5)2 Te3","","- Bi Sb Te3 -","- Bi Sb Te3 -","- Bi3 Sb3 Te9 -","3","0.0833333","","Stasova, M.M.; Abrikosov, N.Kh.","The radiographical analysis of the solid solution in system Bi-Sb-Te","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1090","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530822","4.3","","4.3","","30.28","","90","","90","","120","","484.868","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Bi0.2 Sb0.8)2 Te3","","- Bi0.4 Sb1.6 Te3 -","- Bi0.4 Sb1.6 Te3 -","- Bi1.2 Sb4.8 Te9 -","3","0.0833333","","Stasova, M.M.; Abrikosov, N.Kh.","The radiographical analysis of the solid solution in system Bi-Sb-Te","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1090","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","156037","2020-10-21","18:00:00",""
"1530823","4.33","","4.33","","23.95","","90","","90","","120","","388.877","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","(Bi0.5 Sb0.5)2 Te2","","- Bi Sb Te2 -","- Bi Sb Te2 -","- Bi3 Sb3 Te6 -","3","0.25","","Stasova, M.M.; Abrikosov, N.Kh.","The radiographical analysis of the solid solution in system Bi-Sb-Te","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","1090","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530918","7.94","","8.44","","6.01","","90","","90","","90","","402.752","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi2 Fe4 O9 -","- Bi2 Fe4 O9 -","- Bi4 Fe8 O18 -","2","0.25","","Tutov, A.G.; Markin, V.N.","The X-ray structural analysis of the antiferromagnetic Bi2 Fe4 O9 and the isotypical combinations Bi2 Ga4 O9 and Bi2 Al4 O9","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","2014","2017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530919","7.93","","8.31","","5.92","","90","","90","","90","","390.118","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi2 Ga4 O9 -","- Bi2 Ga4 O9 -","- Bi4 Ga8 O18 -","2","0.25","","Tutov, A.G.; Markin, V.N.","The X-ray structural analysis of the antiferromagnetic Bi2 Fe4 O9 and the isotypical combinations Bi2 Ga4 O9 and Bi2 Al4 O9","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1970","6","","2014","2017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531037","45.887","0.008","45.887","0.008","45.887","0.008","90","","90","","90","","96620","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H48 O32 Zr6 -","- C180 H48 O32 Zr6 -","- C720 H192 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin","The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions","Chem. Sci.","2015","6","12","7163","","10.1039/C5SC02100F","","","0.518","","","0.0559","0.0523","","","0.1431","0.1472","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531038","11.5288","0.0005","12.5203","0.0005","21.155","0.0011","73.555","0.004","75.604","0.004","74.65","0.004","2774","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","1","0.5","","Metsänen, Toni T.; Gallego, Daniel; Szilvási, Tibor; Driess, Matthias; Oestreich, Martin","Peripheral mechanism of a carbonyl hydrosilylation catalysed by an SiNSi iron pincer complex","Chem. Sci.","2015","6","12","7143","","10.1039/C5SC02855H","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1026","0.1162","","","","","","1.02","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1531040","7.9908","0.0003","17.1771","0.0006","11.9692","0.0005","90","","100.208","0.0018","90","","1616.87","0.11","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F N2 O5 V -","- C16 H16 F N2 O5 V -","- C64 H64 F4 N8 O20 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C–C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0426","0.0332","","","0.0816","0.0872","","","","","","1.039","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531041","12.1706","0.0006","11.0345","0.0005","23.8844","0.0012","90","","100.883","0.0017","90","","3149.9","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N2 O8 V2 -","- C30 H44 N2 O8 V2 -","- C120 H176 N8 O32 V8 -","4","0.5","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C–C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0602","0.0409","","","0.0942","0.1048","","","","","","1.052","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1531042","14.7897","0.0004","13.1867","0.0003","7.8841","0.0002","90","","90","","90","","1537.62","0.07","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N O4 V -","- C15 H22 N O4 V -","- C60 H88 N4 O16 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C–C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0317","0.0289","","","0.0725","0.074","","","","","","1.072","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531044","7.0717","0.0001","8.8439","0.0001","19.5443","0.0003","90","","96.556","0.001","90","","1214.33","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C60 H44 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0766","0.0746","","","0.223","0.2278","","","","","","0.961","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1531045","16.8074","0.0019","10.9989","0.0012","16.649","0.002","90","","92.018","0.003","90","","3075.9","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38.5 H29 Cl O4 -","- C38.5 H29 Cl O4 -","- C154 H116 Cl4 O16 -","4","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","0.71073","MoKα","","0.0758","0.054","","","0.1364","0.1527","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1531046","8.1626","0.0001","12.2302","0.0002","11.0742","0.0001","90","","101.402","0.001","90","","1083.72","0.02","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0371","0.0365","","","0.0941","0.1","","","","","","1.107","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531047","28.3793","0.0016","8.2635","0.0004","21.2253","0.0014","90","","112.455","0.007","90","","4600.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 F3 N2 -","- C30 H21 F3 N2 -","- C240 H168 F24 N16 -","8","1","","Mukundam, Vanga; Kumar, Atul; Dhanunjayarao, Kunchala; Ravi, Arthi; Peruncheralathan, S.; Venkatasubbaiah, Krishnan","Tetraaryl pyrazole polymers: versatile synthesis, aggregation induced emission enhancement and detection of explosives","Polym. Chem.","2015","6","44","7764","","10.1039/C5PY01218J","","","0.71073","MoKα","","0.1","0.0618","","","0.1703","0.203","","","","","","1.076","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531316","12.9997","0.001","21.3361","0.0015","13.502","0.001","90","","106.398","0.002","90","","3592.6","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diphenyl-9H-carbazol-3-ol","","- C24 H17 N O -","- C24 H17 N O -","- C192 H136 N8 O8 -","8","2","","Poudel, Tej Narayan; Lee, Yong Rok","Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group","Chem. Sci.","2015","6","12","7028","","10.1039/C5SC02407B","","","0.71073","MoKα","","0.1063","0.0484","","","0.0942","0.1209","","","","","","0.906","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531431","3.996","","3.996","","4.063","","90","","90","","90","","64.878","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","","K (Nb O3)","","- K Nb O3 -","- K Nb O3 -","- K Nb O3 -","1","0.125","","Hewat, A.W.","Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate. Nneutron powder profile refinement of the structures","Journal of Physics C","1973","6","","2559","2572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531512","5.447","","5.447","","12.08","","90","","90","","90","","358.411","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","K La (W O4)2","","- K La O8 W2 -","- K La O8 W2 -","- K2 La2 O16 W4 -","2","0.125","","Han, X.-M.; Lin, Z.-B.; Wang, G.-F.; Hu, Z.-S.","Structure of K La (W O4)2 with a novel isolated La polyhedron","Materials Research Innovation","2002","6","","118","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531937","12.7422","0.0009","26.6786","0.0018","28.5026","0.0019","99.098","0.001","90.144","0.001","90.509","0.001","9566.9","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(Et2O)TlPd(CNArDipp2]BArF","","- C98 H96 B F24 N2 O Pd Tl -","- C98 H96 B F24 N2 O Pd Tl -","- C392 H384 B4 F96 N8 O4 Pd4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.079","0.0454","","","0.0803","0.0887","","","","","","1.029","","","","has coordinates,has disorder","287935","2023-12-01","15:06:59",""
"1531938","12.5519","0.0005","20.2591","0.0008","21.647","0.0008","105.597","0.001","102.325","0.001","97.308","0.001","5079.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","[(eta6-Tol)2TlPd(CNArDipp2)2]BArF","","","- C108 H102 B F24 N2 Pd Tl -","- C108 H102 B F24 N2 Pd Tl -","- C216 H204 B2 F48 N4 Pd2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0653","0.0694","","","","","","1.029","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531939","11.7798","0.001","29.62","0.002","20.9358","0.0016","90","","90.39","0.004","90","","7304.7","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]2[u-AgOTf]2(OTf)","","","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C304 H344 Ag8 F24 N8 O24 Pt4 S8 -","2","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1016","0.0503","","","0.081","0.0977","","","","","","1.003","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531940","18.6061","0.001","19.7722","0.0011","20.9507","0.0014","90","","106.515","0.002","90","","7389.5","0.8","150","2","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]OTf","","","- C81 H92 Ag F3 N2 O3 Pt S -","- C81 H92 Ag F3 N2 O3 Pt S -","- C324 H368 Ag4 F12 N8 O12 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0681","0.0419","","","0.0885","0.1032","","","","","","1.078","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531941","13.95","0.0008","16.2777","0.001","17.6213","0.001","66.887","0.003","70.018","0.003","71.465","0.003","3379.6","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","[TlPt(CNArDipp2)2]OTf","","","- C71 H94 F3 N2 O5 Pt S Tl -","- C63 H74 F3 N2 O3 Pt S Tl -","- C126 H148 F6 N4 O6 Pt2 S2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0468","0.0344","","","0.0737","0.079","","","","","","1.057","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531942","15.5936","0.0016","21.315","0.002","24.141","0.003","90","","90","","90","","8023.9","1.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPd(CNArDipp2)2(THF)]OTf","","","- C93 H134 Ag F3 N2 O10.5 Pd S -","- C67 H82 Ag F3 N2 O4 Pd S -","- C268 H328 Ag4 F12 N8 O16 Pd4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0821","0.0618","","","0.1691","0.1833","","","","","","1.069","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531943","15.6478","0.0015","21.2503","0.0019","24.077","0.002","90","","90","","90","","8006.1","1.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPt(CNArDipp2)2(THF)]OTf","","","- C79 H106 Ag F3 N5 O4 Pt S -","- C67 H82 Ag F3 N2 O4 Pt S -","- C268 H328 Ag4 F12 N8 O16 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0453","0.0359","","","0.0851","0.0888","","","","","","1.033","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531944","14.5289","0.0018","15.663","0.002","17.673","0.002","96.662","0.004","109.412","0.004","94.019","0.004","3742.1","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","[AgPd(CNArDipp2)2(C7H8)]OTf","","","- C84 H98 Ag F3 N2 O3 Pd S -","- C84 H98 Ag F3 N2 O3 Pd S -","- C168 H196 Ag2 F6 N4 O6 Pd2 S2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0542","0.035","","","0.0696","0.0756","","","","","","1.028","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531945","12.7326","0.0012","26.642","0.003","28.428","0.003","99.2","0.004","90.224","0.004","90.514","0.004","9518.8","1.7","100","","100","","","","","","","","","8","P -1","-P 1","2","[(Et2O)TlPt(CNArDipp2)2]BArF","","","- C98 H96 B F24 N2 O Pt Tl -","- C98 H96 B F24 N2 O Pt Tl -","- C392 H384 B4 F96 N8 O4 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0435","0.0305","","","0.0671","0.0724","","","","","","1.01","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531946","14.6265","0.0007","20.6542","0.001","31.1986","0.0015","76.597","0.002","79.378","0.003","89.566","0.003","9005.2","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","[TlPt(CNArDipp2)2]BArF","","","- C94 H86 B F24 N2 Pt Tl -","- C94 H86 B F24 N2 Pt Tl -","- C376 H344 B4 F96 N8 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1261","0.0601","","","0.103","0.1209","","","","","","1.013","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531947","10.4482","0.0008","10.4482","0.0008","14.7573","0.0013","90","","90","","90","","1611","0.2","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C3 H7 Cl3 I0 N O0 Pb -","- C3 H7 Cl3 N Pb -","- C24 H56 Cl24 N8 Pb8 -","8","1","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.0304","0.0295","","","0.0669","0.0675","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531948","21.2016","0.0013","15.9211","0.0011","26.4092","0.0015","90","","91.811","0.006","90","","8910","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H180 Cl59 N16 O2 Pb21 -","- C80 H176 Cl59 N16 O Pb21 -","- C160 H352 Cl118 N32 O2 Pb42 -","2","0.5","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.1043","0.0938","","","0.2254","0.2311","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532146","7.235","0.002","41.244","0.013","21.816","0.007","90","","90","","90","","6510","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","a10315c","","- C24 H12 N6 O6 -","- C24 H12 N6 O6 -","- C192 H96 N48 O48 -","8","1","","Zhan, Tian-Guang; Zhou, Tian-You; Qi, Qiao-Yan; Wu, Jian; Li, Guang-Yu; Zhao, Xin","The construction of supramolecular polymers through anion bridging: from frustrated hydrogen-bonding networks to well-ordered linear arrays","Polym. Chem.","2015","6","43","7586","","10.1039/C5PY01284H","","","0.71073","MoKα","","0.1998","0.0662","","","0.1531","0.1945","","","","","","0.665","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532452","10.141","0.003","11.619","0.004","11.643","0.004","86.263","0.004","69.71","0.003","76.551","0.004","1251.3","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H34 I2 N4 Ni O4 S2 -","- C15 H34 I2 N4 Ni O4 S2 -","- C30 H68 I4 N8 Ni2 O8 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0479","0.0365","","","0.0901","0.0955","","","","","","1.047","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532453","7.5419","0.0017","8.0477","0.0018","16.687","0.004","78.174","0.003","82.069","0.003","86.421","0.003","981.2","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Co N2 O6 S2 -","- C15 H29 Co N2 O6 S2 -","- C30 H58 Co2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0496","0.0379","","","0.0851","0.093","","","","","","1.119","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532454","7.486","0.007","8.04","0.008","16.74","0.016","78.165","0.013","82.235","0.013","86.603","0.013","976.6","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Fe N2 O6 S2 -","- C15 H28 Fe N2 O6 S2 -","- C30 H56 Fe2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0814","0.0576","","","0.1555","0.1647","","","","","","1.126","","","","has coordinates","170963","2020-10-21","18:00:00",""
"1532455","19.683","0.003","12.1661","0.0019","19.517","0.003","90","","106.346","0.003","90","","4484.7","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H56 Cu2 N4 O12 S4 -","- C30 H56 Cu2 N4 O12 S4 -","- C120 H224 Cu8 N16 O48 S16 -","4","0.5","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0627","0.0418","","","0.0993","0.1059","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532456","9.6252","0.0008","12.3461","0.001","12.2335","0.001","90","","103.606","0.004","90","","1413","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N2 O2 S2 -","- C11 H24 N2 O2 S2 -","- C44 H96 N8 O8 S8 -","4","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.074","0.0666","","","0.1657","0.1731","","","","","","1.04","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532462","14.4834","0.001","6.1063","0.0005","16.8547","0.0012","90","","104.786","0.008","90","","1441.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.0481","","","","0.1645","","","","","","0.968","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532463","14.476","0.0006","6.097","0.00017","16.8438","0.0007","90","","104.788","0.0019","90","","1437.39","0.09","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A.","A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions","Catal. Sci. Technol.","2016","6","5","1410","","10.1039/C5CY01034A","","","0.71075","MoKα","","","0.1067","","","","0.3238","","","","","","1.032","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532464","21.5645","0.0007","21.5645","0.0007","9.4379","0.0003","90","","90","","120","","3800.9","0.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","VNU-10","","- C11 H10 Co N O4 -","- C11 H10 Co N O4 -","- C66 H60 Co6 N6 O24 -","6","0.25","","Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S.","New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings","Catal. Sci. Technol.","2016","6","5","1384","","10.1039/C5CY01145K","","","1.54178","CuKα","","0.0648","0.0524","","","0.139","0.1456","","","","","","1.129","","","","has coordinates","177628","2020-10-21","18:00:00",""
"1532465","15.9874","0.0006","18.0758","0.0004","18.1871","0.0006","90","","107.85","0.004","90","","5002.8","0.3","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C190 H250 F24 N6 O26 P4 -","4","1","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.1088","0.0907","","","0.2874","0.3221","","","","","","1.349","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532466","43.2165","0.0013","43.2165","0.0013","12.4664","0.0004","90","","90","","120","","20163.7","1.1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C138 H129 F18 N3 O18 P3 -","- C138 H129 F18 N3 O18 P3 -","- C828 H774 F108 N18 O108 P18 -","6","0.333333","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.0862","0.0712","","","0.2035","0.2243","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532468","30.664","0.005","17.225","0.005","27.371","0.005","90","0.005","105.9","0.005","90","0.005","13904","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H116 Cd2 N24 O25 -","- C48 H24 Cd2 N12 O12 -","- C192 H96 Cd8 N48 O48 -","4","0.5","","Sun, Chun-Yi; To, Wai-Pong; Wang, Xin-Long; Chan, Kaai-Tung; Su, Zhong-Min; Che, Chi-Ming","Metal‒organic framework composites with luminescent gold(iii) complexes. Strongly emissive and long-lived excited states in open air and photo-catalysis","Chem. Sci.","2015","6","12","7105","","10.1039/C5SC02216A","","","0.71069","MoKα","","0.1411","0.0723","","","0.1556","0.1677","","","","","","1.044","","","","has coordinates,has disorder","170964","2020-10-21","18:00:00",""
"1532469","10.806","0.002","18.897","0.004","21.557","0.004","108.61","0.03","90.43","0.03","103.93","0.03","4032.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.5 H111.5 Ge2 N2 Si2 -","- C91.5 H111.5 Ge2 N2 Si2 -","- C183 H223 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0828","0.0609","","","0.1581","0.1722","","","","","","1.03","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532470","13.373","0.003","21.643","0.004","15.884","0.003","90","","102.62","0.03","90","","4486.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H122 Ge2 N2 O2 Si2 -","- C104 H122 Ge2 N2 O2 Si2 -","- C208 H244 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.1042","0.0699","","","0.1581","0.1796","","","","","","1.054","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532471","10.783","0.002","11.465","0.002","16.298","0.003","97.01","0.03","91.76","0.03","92.77","0.03","1996.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 Ge N Si -","- C46 H57 Ge N Si -","- C92 H114 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0496","0.0405","","","0.0955","0.0996","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532472","11.543","0.0004","23.7164","0.0009","16.3022","0.0006","90","","97.979","0.001","90","","4419.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Ge N Si -","- C52 H61 Ge N Si -","- C208 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0919","0.0477","","","0.0942","0.1088","","","","","","1.018","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532473","10.319","0.002","18.286","0.004","22.437","0.005","90","","91.27","0.03","90","","4232.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Ge N Si -","- C49 H61 Ge N Si -","- C196 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0838","0.0678","","","0.1839","0.1968","","","","","","1.03","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532474","10.2741","0.0005","14.6818","0.0007","14.6417","0.0007","90","","102.077","0.003","90","","2159.71","0.18","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H63 Ge N Si -","- C50 H63 Ge N Si -","- C100 H126 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0588","0.0426","","","0.0897","0.0965","","","","","","1.016","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532475","9.942","0.002","15.413","0.003","28.793","0.006","90","","97.18","0.03","90","","4377.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 Ge N Si -","- C52 H67 Ge N Si -","- C208 H268 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0599","0.0501","","","0.1404","0.1476","","","","","","1.037","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532476","10.673","0.002","12.534","0.003","15.493","0.003","82.27","0.03","85.09","0.03","73.63","0.03","1968","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 N Si Sn -","- C46 H57 N Si Sn -","- C92 H114 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0415","0.0396","","","0.1038","0.1052","","","","","","1.071","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532477","10.2591","0.0009","13.6505","0.001","17.3164","0.0015","99.111","0.007","105.293","0.008","95.189","0.007","2287.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N Si Sn -","- C52 H68 N Si Sn -","- C104 H136 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1164","0.0668","","","0.1044","0.1259","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532478","10.0813","0.0017","15.796","0.003","28.096","0.004","90","","96.916","0.013","90","","4441.6","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Ge N Si -","- C53 H61 Ge N Si -","- C212 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.2768","0.0925","","","0.1923","0.2723","","","","","","0.914","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532479","10.1088","0.001","15.7379","0.0015","28.106","0.002","90","","96.853","0.008","90","","4439.5","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 N Si Sn -","- C53 H61 N Si Sn -","- C212 H244 N4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1223","0.0813","","","0.1748","0.1985","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532480","10.003","0.0006","15.4017","0.0012","28.92","0.002","90","","97.698","0.002","90","","4415.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Ge N Si -","- C52 H65 Ge N Si -","- C208 H260 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0746","0.0452","","","0.1035","0.1155","","","","","","1.037","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532481","11.374","0.0004","23.3065","0.0008","16.3439","0.0005","90","","97.891","0.002","90","","4291.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 Ge N Si -","- C49 H63 Ge N Si -","- C196 H252 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0698","0.0457","","","0.0989","0.1093","","","","","","1.029","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532482","10.731","0.002","14.446","0.003","15.647","0.003","77.83","0.03","78.54","0.03","69.06","0.03","2194.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H62 Cl Ge N Si -","- C49 H62 Cl Ge N Si -","- C98 H124 Cl2 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0741","0.0635","","","0.1721","0.1805","","","","","","1.043","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532483","10.399","0.0004","14.2109","0.0005","15.4524","0.0005","90.483","0.001","101.026","0.001","105.118","0.001","2159.72","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H63 Ge N O Si -","- C48 H63 Ge N O Si -","- C96 H126 Ge2 N2 O2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0617","0.044","","","0.1047","0.1127","","","","","","1.049","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532484","14.604","0.003","15.84","0.003","20.773","0.004","88.61","0.03","82.84","0.03","84.99","0.03","4749.2","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 N2 O Si Sn -","- C53 H70 N2 O Si Sn -","- C212 H280 N8 O4 Si4 Sn4 -","4","2","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0377","0.034","","","0.0857","0.0877","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532485","15.0392","0.0003","12.4994","0.0002","26.2128","0.0004","90","","93.127","0.002","90","","4920.17","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H154 Ge2 N2 O2 Si2 -","- C112 H154 Ge2 N2 O2 Si2 -","- C224 H308 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","1.54184","CuKα","","0.0439","0.0391","","","0.1","0.1043","","","","","","1.032","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532486","15.4827","0.0008","16.4448","0.0009","23.7823","0.0011","72.311","0.004","88.259","0.004","62.908","0.005","5094.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H158 N2 O2 Si2 Sn2 -","- C112 H158 N2 O2 Si2 Sn2 -","- C224 H316 N4 O4 Si4 Sn4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0726","0.0495","","","0.1182","0.1342","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532490","6.2435","0.0005","13.8921","0.0009","14.2338","0.001","100.533","0.004","92.139","0.005","100.164","0.005","1191.63","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B2 D3 N2 O2 -","- C27 H30 B2 D3 N2 O2 -","- C54 H60 B4 D6 N4 O4 -","2","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1799","0.0771","","","0.1471","0.1726","","","","","","0.928","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532491","12.0335","0.0018","13.357","0.002","17.045","0.003","73.663","0.004","81.968","0.004","79.686","0.004","2575","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 B2 N2 O2 -","- C30 H34 B2 N2 O2 -","- C120 H136 B8 N8 O8 -","4","2","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1718","0.0858","","","0.185","0.2381","","","","","","1.046","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532492","9.498","0.002","9.09","0.002","30.647","0.007","90","","94.119","0.003","90","","2639.1","1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 N2 O2 -","- C31 H36 B2 N2 O2 -","- C124 H144 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.0938","0.0595","","","0.1419","0.1579","","","","","","1.013","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532493","9.5066","0.0006","9.248","0.0005","30.632","0.002","90","","94.399","0.003","90","","2685.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B2 Br N2 O2 -","- C30 H33 B2 Br N2 O2 -","- C120 H132 B8 Br4 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1277","0.0583","","","0.105","0.1268","","","","","","0.986","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532494","8.8862","0.0004","21.985","0.0011","14.0495","0.0007","90","","96.2349","0.0019","90","","2728.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 N2 O2 -","- C32 H39 B2 N2 O2 -","- C128 H156 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.095","0.0502","","","0.1347","0.1777","","","","","","1.093","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532495","14.978","0.002","16.438","0.003","29.361","0.005","90","","90","","90","","7229","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H52 I P2 Pd -","- C33 H52 I P2 Pd -","- C264 H416 I8 P16 Pd8 -","8","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0343","0.029","","","0.059","0.0613","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532496","14.0602","0.0006","28.6171","0.0012","16.9031","0.0007","90","","92.0331","0.0016","90","","6796.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 B F24 I P2 Pd -","- C65 H64 B F24.009 I P2 Pd -","- C260 H256 B4 F96.036 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0412","0.032","","","0.0725","0.0763","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532497","12.8203","0.0013","14.834","0.0015","19.174","0.0019","90","","106.641","0.0015","90","","3493.7","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 I P2 Pd -","- C33 H53 I P2 Pd -","- C132 H212 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0278","0.0245","","","0.0495","0.0505","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532498","17.0891","0.0017","14.014","0.0014","18.4206","0.0018","90","","100.081","0.003","90","","4343.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 I N P2 Pd -","- C40 H60 I N P2 Pd -","- C160 H240 I4 N4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0334","0.03","","","0.0772","0.0792","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532499","11.8764","0.0006","14.433","0.0008","25.1741","0.0014","101.297","0.0016","93.5784","0.0016","111.2","0.0015","3903","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H57 I O P2 Pd -","- C39 H57 I O P2 Pd -","- C156 H228 I4 O4 P8 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0556","0.0389","","","0.0886","0.0934","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532500","10.0901","0.0007","23.7955","0.0017","31.205","0.002","90","","90.532","0.002","90","","7492","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H72 B F24 I P3 Pd -","- C68 H72 B F24 I P3 Pd -","- C272 H288 B4 F96 I4 P12 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0658","0.0632","","","0.1651","0.1675","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532501","14.0266","0.0006","15.2323","0.0006","21.3735","0.0009","90","","90","","90","","4566.6","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H67 F3 O4 P2 Pd S2 -","- C44 H67 F3 O4 P2 Pd S2 -","- C176 H268 F12 O16 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0331","0.026","","","0.0561","0.059","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532502","11.297","0.003","11.59","0.003","36.768","0.01","90","","92.926","0.004","90","","4808","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 P2 Pd S2 -","- C50 H74 P2 Pd S2 -","- C200 H296 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0557","0.0392","","","0.0754","0.0807","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532507","7.784","0.0004","22.5821","0.0014","9.6099","0.0004","90","","90","","90","","1689.22","0.15","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 F S3 -","- C8 H4 F S3 -","- C64 H32 F8 S24 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.0398","0.0339","","","0.0782","0.0827","","","","","","1.075","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532508","24.2039","0.0011","6.2548","0.0003","22.525","0.0009","90","","103.733","0.004","90","","3312.6","0.3","102.26","0.1","102.26","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 S6 -","- C16 H10 S6 -","- C128 H80 S48 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.0402","0.0362","","","0.1009","0.104","","","","","","0.996","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532509","16.5074","0.0003","8.21747","0.00013","23.5969","0.0004","90","","90","","90","","3200.9","0.09","295.16","0.1","295.16","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 S6 Se2 -","- C12 H6 S6 Se2 -","- C96 H48 S48 Se16 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","1.54184","CuKα","","0.0577","0.0487","","","0.1279","0.1356","","","","","","1.065","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532510","8.3161","0.0003","20.227","0.0007","9.2199","0.0004","90","","92.391","0.004","90","","1549.53","0.1","293.74","0.1","293.74","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 S8 -","- C12 H6 S8 -","- C48 H24 S32 -","4","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.058638","0.051285","","","","0.143797","","","","","","1.03609","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532744","7.296","","7.296","","7.296","","90","","90","","90","","388.378","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tb Mg3","","- Mg3 Tb -","- Mg3 Tb -","- Mg12 Tb4 -","4","0.0208333","","Will, G.; Bargouth, M.O.","The Antiferromagnetic Structure of Tb Mg3","Journal of Magnetism and Magnetic Materials","1977","6","","131","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533007","9.5023","0.0003","12.6103","0.0004","15.1418","0.0005","97.784","0.003","90.79","0.003","100.069","0.003","1768.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0715","0.0516","","","0.1266","0.1389","","","","","","0.997","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533008","9.4563","0.0007","12.5189","0.0013","14.9787","0.0013","84.903","0.008","71.669","0.007","76.285","0.007","1635","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0654","0.0392","","","0.0708","0.0772","","","","","","0.945","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533009","9.6185","0.0007","10.2667","0.0007","17.5096","0.0013","83.519","0.006","77.307","0.006","78.461","0.006","1648.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.086","0.0708","","","0.1908","0.2034","","","","","","1.062","","","","has coordinates","170975","2020-10-21","18:00:00",""
"1533010","10.13","0.002","25.686","0.005","15.724","0.003","90","","96.36","0.03","90","","4066.2","1.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C81 H105 Mo3 O6 P5 Sm3 -","- C81 H105 Mo3 O6 P5 Sm3 -","- C162 H210 Mo6 O12 P10 Sm6 -","2","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.1889","0.1092","","","0.25","0.2946","","","","","","0.98","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1533011","11.1671","0.0008","12.7931","0.001","14.7276","0.0009","98.952","0.006","110.227","0.006","95.319","0.006","1925.7","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","x-ray","1.54178","CuKα","","0.0368","0.0343","","","0.0799","0.0815","","","","","","1.066","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533012","11.1924","0.0003","12.6285","0.0003","14.6371","0.0004","99.581","0.002","110.455","0.002","94.847","0.002","1888.44","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0447","0.041","","","0.1014","0.1033","","","","","","1.084","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533373","37.1846","0.0013","37.1846","0.0013","9.743","0.0003","90","","90","","90","","13471.6","0.8","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C28 H42 Au Cl3 N4 O -","- C28 H40 Au Cl3 N4 O -","- C448 H640 Au16 Cl48 N64 O16 -","16","","","Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.","AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages","Chem. Sci.","2015","6","12","7326","","10.1039/C5SC03065J","","","1.54178","CuKα","","0.0539","0.0472","","","0.1188","0.1237","","","","","","1.044","","","","has coordinates,has disorder","170965","2020-10-21","18:00:00",""
"1533812","2.876","","2.876","","14.185","","90","","90","","120","","101.61","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Li0.95 Ni0.05) (Ni O2)","","- Li0.95 Ni1.05 O2 -","- Li0.95 Ni1.05 O2 -","- Li2.85 Ni3.15 O6 -","3","0.0833333","","Hong Jin K; Oh Seung M","Crystal structure and electrochemical performance of Li Ni1-x Cox O2 (0 <= x < 1.0) according to Co substitution","Journal of the Korean Electrochemical Society","2003","6","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","160093","2020-10-21","18:00:00",""
"1533815","2.855","","2.855","","14.136","","90","","90","","120","","99.786","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li ((Ni0.7 Co0.3) O2)","","- Co0.3 Li Ni0.7 O2 -","- Co0.3 Li Ni0.7 O2 -","- Co0.9 Li3 Ni2.1 O6 -","3","0.0833333","","Hong Jin K; Oh Seung M","Crystal structure and electrochemical performance of Li Ni1-x Cox O2 (0 <= x < 1.0) according to Co substitution","Journal of the Korean Electrochemical Society","2003","6","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533818","2.841","","2.841","","14.102","","90","","90","","120","","98.572","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li ((Ni0.5 Co0.5) O2)","","- Co0.5 Li Ni0.5 O2 -","- Co0.5 Li Ni0.5 O2 -","- Co1.5 Li3 Ni1.5 O6 -","3","0.0833333","","Hong Jin K; Oh Seung M","Crystal structure and electrochemical performance of Li Ni1-x Cox O2 (0 <= x < 1.0) according to Co substitution","Journal of the Korean Electrochemical Society","2003","6","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533822","2.828","","2.828","","14.081","","90","","90","","120","","97.527","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li ((Ni0.3 Co0.7) O2)","","- Co0.7 Li Ni0.3 O2 -","- Co0.7 Li Ni0.3 O2 -","- Co2.1 Li3 Ni0.9 O6 -","3","0.0833333","","Hong Jin K; Oh Seung M","Crystal structure and electrochemical performance of Li Ni1-x Cox O2 (0 <= x < 1.0) according to Co substitution","Journal of the Korean Electrochemical Society","2003","6","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533825","2.814","","2.814","","14.048","","90","","90","","120","","96.337","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Li (Co O2)","","- Co Li O2 -","- Co Li O2 -","- Co3 Li3 O6 -","3","0.0833333","","Hong Jin K; Oh Seung M","Crystal structure and electrochemical performance of Li Ni1-x Cox O2 (0 <= x < 1.0) according to Co substitution","Journal of the Korean Electrochemical Society","2003","6","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534135","12.2117","0.0003","18.0562","0.0006","18.2926","0.0006","90","","103.741","0.002","90","","3918","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","Lummiss, Justin A. M.; Higman, Carolyn S.; Fyson, Devon L.; McDonald, Robert; Fogg, Deryn E.","The divergent effects of strong NHC donation in catalysis","Chem. Sci.","2015","6","12","6739","","10.1039/C5SC02592C","","","1.54178","CuKα","","0.1068","0.0517","","","0.1084","0.133","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534136","19.39657","0.00015","15.07422","0.00012","10.4257","0.00008","90","","98.9955","0.0007","90","","3010.86","0.04","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N O -","- C39 H35 N O -","- C156 H140 N4 O4 -","4","1","","Deng, Haiqin; He, Zikai; Lam, Jacky W. Y.; Tang, Ben Zhong","Regio- and stereoselective construction of stimuli-responsive macromolecules by a sequential coupling-hydroamination polymerization route","Polym. Chem.","2015","6","48","8297","","10.1039/C5PY01424G","","x-ray","1.5418","CuKα","","0.0347","0.0314","","","0.0759","0.0778","","","","","","1.005","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534198","5.95","","10.3","","6.03","","90","","109.2","","90","","348.993","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Rh Cl3","","- Cl3 Rh -","- Cl3 Rh -","- Cl12 Rh4 -","4","0.5","","Baernighausen, H.; Handa, B.K.","Die Kristallstruktur von Rhodium(III) - Chlorid","Journal of the Less-Common Metals","1964","6","","226","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534277","17","","4","","17.5","","90","","111","","90","","1110.96","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Mo8.5 W1.5 O29","","- Mo8.5 O29 W1.5 -","- Mo8.5 O29 W1.5 -","- Mo17 O58 W3 -","2","0.5","","Blomberg, B.; Magneli, A.; Kihlborg, L.","The crystal structures of (Mo, W)10 O29 And (Mo, W)11 O32","Arkiv foer Kemi","1953","6","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534278","16.6","","4","","18.7","","90","","74","","90","","1193.58","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Mo9.35 W1.65 O32","","- Mo9.35 O32 W1.65 -","- Mo9.35 O32 W1.65 -","- Mo18.7 O64 W3.3 -","2","0.5","","Blomberg, B.; Kihlborg, L.; Magneli, A.","The crystal structures of (Mo, W)10 O29 And (Mo, W)11 O32","Arkiv foer Kemi","1953","6","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534338","3.595","","3.595","","17.59","","90","","90","","120","","196.877","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Mg Cl2","","- Cl2 Mg -","- Cl2 Mg -","- Cl6 Mg3 -","3","0.0833333","","Busing, W.R.","An interpretation of the structures of alkaline earth chlorides in terms of interionic forces","Transactions of the American Crystallographic Association","1970","6","","57","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534343","8.06","","5.52","","8.56","","90","","94.1","","90","","379.87","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na Sb F4","","- F4 Na Sb -","- F4 Na Sb -","- F16 Na4 Sb4 -","4","1","","Bystroem, A.; Baecklund, S.; Wilhelmi, K.A.","The crystal structure of Na Sb F4","Arkiv foer Kemi","1953","6","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534390","10.255","","10.255","","10.255","","90","","90","","90","","1078.47","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Nb Te O6","","- Nb O6 Rb Te -","- Nb O6 Rb Te -","- Nb8 O48 Rb8 Te8 -","8","0.0416667","","Darriet, B.; Rat, M.; Galy, J.; Hagenmuller, P.","Sur quelques nouveaux pyrochlores des systemes M T O3 - W O3 et M T O3 - Te O3 (M = K, Rb, Cs, Tl; T = Nb, Ta)","Materials Research Bulletin","1971","6","","1305","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534391","10.475","","10.475","","10.475","","90","","90","","90","","1149.38","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","K Ta W O6 (H2 O)","","- H2 K O7 Ta W -","- K O7 Ta W -","- K8 O56 Ta8 W8 -","8","0.0416667","","Darriet, B.; Rat, M.; Hagenmuller, P.; Galy, J.","Sur quelques nouveaux pyrochlores des systemes M T O3 - W O3 et M T O3 - Te O3 (M = K, Rb, Cs, Tl; T = Nb, Ta)","Materials Research Bulletin","1971","6","","1305","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534465","10.3878","","10.3878","","37.8386","","90","","90","","120","","3536","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ca9 Fe (P O4)7","","- Ca9 Fe O28 P7 -","- Ca9 Fe O28.002 P7 -","- Ca54 Fe6 O168.012 P42 -","6","0.166667","","Lazoryak, B.I.; Morozov, V.A.; Belik, A.A.; Mitberg, E.B.; Lebedev, O.I.; Stefanovich, S.Yu.; Grebenev, V.V.; Leonidov, I.A.; Davydov, S.A.; van Tendeloo, G.","Ferroelectric phase transition in the whitlockite-type Ca9 Fe (P O4)7: crystal structure of the paraelectric phase at 923 K","Solid State Sciences","2004","6","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534527","7.462","","9.241","","10.103","","90","","110.731","","90","","651.559","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Cs (Ga2 P5 O16)","","- Cs Ga2 O16 P5 -","- Cs Ga2 O16 P5 -","- Cs2 Ga4 O32 P10 -","2","1","","Lesage, J.; Raveau, B.; Guesdon, A.","New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534531","7.4058","","9.2151","","10.0912","","90","","110.768","","90","","643.928","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Rb (Ga2 P5 O16)","","- Ga2 O16 P5 Rb -","- Ga2 O16 P5 Rb -","- Ga4 O32 P10 Rb2 -","2","1","","Lesage, J.; Guesdon, A.; Raveau, B.","New gallium pentaphosphates: A Ga2 P5 O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534647","18.989","","7.9758","","9.1112","","90","","108.39","","90","","1309.44","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na (N H4) (Ni3 (P2 O7)2 (H2 O)2)","","- H8 N Na Ni3 O16 P4 -","- H8 N Na Ni3 O16 P4 -","- H32 N4 Na4 Ni12 O64 P16 -","4","0.5","","Liu, W.; Chen, H.-H.; Yang, X.X.; Zhao, J.-T.; Huang, Y.-X.; Schnelle, W.","A mixed cation nickel diphosphate with a layered intergrowth structure: synthesis, structural and magnetic characterization of Na (N H4) (Ni2 (P2 O7)2 (H2 O)2)","Solid State Sciences","2004","6","","1375","1380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534844","9.2479","","9.86","","33.622","","90","","94.73","","90","","3055.36","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 (Zr2 P5 S18)","","- P5 Rb3 S18 Zr2 -","- P5 Rb3 S18 Zr2 -","- P20 Rb12 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161882","2020-10-21","18:00:00",""
"1534848","9.2882","","9.956","","34.061","","90","","94.26","","90","","3141.03","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs3 (Zr2 P5 S18)","","- Cs3 P5 S18 Zr2 -","- Cs3 P5 S18 Zr2 -","- Cs12 P20 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161887","2020-10-21","18:00:00",""
"1534852","15.92","","15.92","","13.15","","90","","90","","90","","3332.82","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","K0.38 (Ta P S6)","","- K0.38 P S6 Ta -","- K0.38 P S6 Ta -","- K6.08 P16 S96 Ta16 -","16","0.5","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534854","15.8802","","15.8802","","13.1561","","90","","90","","90","","3317.72","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb0.46 (Ta P S6)","","- P Rb0.46 S6 Ta -","- P Rb0.461 S6 Ta -","- P16 Rb7.376 S96 Ta16 -","16","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534979","11.7","","11.7","","11.7","","90","","90","","90","","1601.61","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 Te I6","","- Cs2 I6 Te -","- Cs2 I6 Te -","- Cs8 I24 Te4 -","4","0.0208333","","Manojlovic, L.M.","The crystal structure of cesium hexaiodotellurite","Bulletin of the Institute of Nuclear Sciences 'Boris Kidrich'","1956","6","","149","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534980","14.6028","","5.8131","","10.5858","","90","","104.968","","90","","868.113","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na7 (Co O3)2","","- Co2 Na7 O6 -","- Co2 Na7 O6 -","- Co8 Na28 O24 -","4","0.5","","Sofin, M.; Peters, E.M.; Jansen, M.","Unusual charge distribution in Na7 (Co O3)2","Solid State Sciences","2004","6","","1163","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","162075","2020-10-21","18:00:00",""
"1535058","8.3871","","8.3871","","18.5634","","90","","90","","90","","1305.81","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Co6 (Te O3)2 (Te O6) Cl2","","- Cl2 Co6 O12 Te3 -","- Cl2 Co6 O12 Te3 -","- Cl8 Co24 O48 Te12 -","4","0.25","","Becker, R.; Johnsson, M.","Crystal structure of the new compound Co6 (Te O3)2 (Te O6) Cl2","Solid State Sciences","2004","6","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","162219","2020-10-21","18:00:00",""
"1535182","3.34554","","11.16684","","13.49639","","90","","90","","90","","504.213","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca2 Tl2 O5","","- Ca2 O5 Tl2 -","- Ca2 O5 Tl2 -","- Ca8 O20 Tl8 -","4","0.25","","Berastegui, P.; Eriksson, S.; Hull, S.; Eriksen, J.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162409","2020-10-21","18:00:00",""
"1535185","11.25285","","16.51255","","3.334594","","90","","90","","90","","619.612","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Ca3 Tl2 O6","","- Ca3 O6 Tl2 -","- Ca3 O6 Tl2 -","- Ca12 O24 Tl8 -","4","0.5","","Berastegui, P.; Eriksson, S.; Eriksen, J.; Hull, S.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162413","2020-10-21","18:00:00",""
"1535188","10.5363","","10.5363","","10.5363","","90","","90","","90","","1169.67","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Tl2 O3","","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.333333","","Berastegui, P.; Hull, S.; Eriksson, S.; Eriksen, J.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162417","2020-10-21","18:00:00",""
"1535367","18.582","","5.2308","","8.551","","90","","97.645","","90","","823.759","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Mg2.3 Ir2.7","","- Ir2.7 Mg2.3 -","- Ir2.7044 Mg2.2956 -","- Ir27.044 Mg22.956 -","10","1.25","","Hlukhyy, V.; Poettgen, R.","Mg(2+x) Ir(3-x) (x = 0.30) - a binary variant of the monoclinic V2 (Co0.57 Si0.43)3 type","Solid State Sciences","2004","6","","1175","1180","","","","","","","","","","","","","","","","","","","","","","has coordinates","162689","2020-10-21","18:00:00",""
"1535434","3.9021","","12.9925","","10.8808","","90","","90","","90","","551.635","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ir Ga2","","- Ga2 Ir -","- Ga2 Ir -","- Ga24 Ir12 -","12","0.75","","Bostroem, M.; Prots', Yu.M.; Grin', Yu.","Synthesis, crystal structure and chemical bonding of the novel compound Ir Ga2","Solid State Sciences","2004","6","","499","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535915","9.54","","10.77","","7.94","","90","","90","","90","","815.802","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sb O Cl","","- Cl O Sb -","- Cl O Sb -","- Cl12 O12 Sb12 -","12","3","","Edstrand, M.","On the structure of antimony(III) oxidehalides. II. The crystal structure of Sb O Cl","Arkiv foer Kemi","1953","6","","89","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535932","6.329","","6.329","","10.15","","90","","90","","120","","352.101","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Ca Ba Zn2.155 Fe0.735 Al1.11 O7","","- Al1.11 Ba Ca Fe0.735 O7 Zn2.155 -","- Al1.111 Ba Ca Fe0.735 O7 Zn2.15457 -","- Al2.222 Ba2 Ca2 Fe1.47 O14 Zn4.30914 -","2","0.166667","","Valldor, M.","Syntheses and structures of compounds with the YBaCo4O7-type structure","Solid State Sciences","2004","6","","251","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535936","6.3331","","6.3331","","10.1964","","90","","90","","120","","354.169","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Ca Ba Co2.208 Zn1.632 Al0.16 O7","","- Al0.16 Ba Ca Co2.208 O7 Zn1.632 -","- Al0.16 Ba Ca Co2.208 O7 Zn1.632 -","- Al0.32 Ba2 Ca2 Co4.416 O14 Zn3.264 -","2","0.166667","","Valldor, M.","Syntheses and structures of compounds with the Y Ba Co4 O7-type structure","Solid State Sciences","2004","6","","251","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535941","14.662","","14.662","","14.662","","90","","90","","90","","3151.95","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Na0.5 Pb1.75 (Ge Se4)","","- Ge Na0.5 Pb1.75 Se4 -","- Ge Na0.5025 Pb1.755 Se4 -","- Ge16 Na8.04 Pb28.08 Se64 -","16","0.333333","","Iyer, R.G.; Kanatzidis, M.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535944","13.8145","","13.8145","","13.8145","","90","","90","","90","","2636.36","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Cu0.5 Pb1.75 (Ge S4)","","- Cu0.5 Ge Pb1.75 S4 -","- Cu0.5025 Ge Pb1.755 S4 -","- Cu8.04 Ge16 Pb28.08 S64 -","16","0.333333","","Iyer, R.G.; Aitken, J.A.; Kanatzidis, M.G.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A= Ag, Cu, Na; M= Pb, Eu; Q= S, Se)","Solid State Sciences","2004","6","","451","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536091","10.457","","10.457","","10.457","","90","","90","","90","","1143.46","","","","","","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","Te16 Si38","","- Si38 Te16 -","- Si38 Te16 -","- Si38 Te16 -","1","0.0416667","","Jaussaud, N.; Toulemonde, P.; Pechev, S.; Pouchard, M.; Gravereau, P.; San Miguel, A.; Goglio, G.; Cros, C.","High pressure synthesis and crystal structure of two forms of a new tellurium-silicon clathrate related to the classical type I","Solid State Sciences","2004","6","","401","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","163687","2020-10-21","18:00:00",""
"1536122","8.889","","19.018","","17.112","","90","","104.59","","90","","2799.52","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na4 (Co ((P O2 N H)3)2) (H2 O)12","","- Co H30 N6 Na4 O24 P6 -","- Co H24 N6 Na4 O24 P6 -","- Co4 H96 N24 Na16 O96 P24 -","4","0.5","","Correll, S.; Stock, N.; Schnick, W.","Synthesis, crystal structures and properties of the bis-(trimetaphosphimato)-metallates Na4 (Co ((P O2 N)3)2).12H2 O and Na4 (Ni ((P O2 N H)3)2).12H2 O","Solid State Sciences","2004","6","","953","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536130","8.944","","18.906","","17.236","","90","","104.49","","90","","2821.82","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na4 (Ni ((P O2 N H)3)2) (H2 O)12","","- H30 N6 Na4 Ni O24 P6 -","- H24 N6 Na4 Ni O24 P6 -","- H96 N24 Na16 Ni4 O96 P24 -","4","0.5","","Correll, S.; Stock, N.; Schnick, W.","Synthesis, crystal structures and properties of the bis-(trimetaphosphimato)-metallates Na4 (Co ((P O2 N)3)2).12H2 O and Na4 (Ni ((P O2 N H)3)2).12H2 O","Solid State Sciences","2004","6","","953","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536193","17.147","","6.458","","6.488","","90","","90","","90","","718.451","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd8 Sn24 -","- Pd8 Sn24 -","- Pd8 Sn24 -","1","","","Nylen, J.; Haeussermann, U.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536196","6.4417","","11.4452","","6.3886","","90","","90","","90","","471.009","","","","","","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- Pd4 Sn16 -","- Pd4 Sn16 -","- Pd4 Sn16 -","1","0.0625","","Nylen, J.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536200","6.4906","","6.4906","","24.353","","90","","90","","90","","1025.94","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Pd16 Sn32 -","- Pd16 Sn32 -","- Pd16 Sn32 -","1","0.03125","","Nylen, J.; Garcia-Garcia, F.J.; Mosel, B.D.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536277","5.5959","","5.9499","","8.0213","","90","","90.425","","90","","267.062","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Na Ir O6","","- Ir La2 Na O6 -","- Ir La2 Na O6 -","- Ir2 La4 Na2 O12 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536280","5.5322","","5.9341","","7.9412","","90","","90.793","","90","","260.674","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr2 Na Ir O6","","- Ir Na O6 Pr2 -","- Ir Na O6 Pr2 -","- Ir2 Na2 O12 Pr4 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536284","5.506","","5.9228","","7.9131","","90","","90.946","","90","","258.018","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd2 Na Ir O6","","- Ir Na Nd2 O6 -","- Ir Na Nd2 O6 -","- Ir2 Na2 Nd4 O12 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536333","7.4328","","8.3346","","9.9898","","87.005","","78.843","","77.21","","592.073","","","","","","","","","","","","","3","P -1","-P 1","2","","Cd2 (Te2 O7)","","- Cd2 O7 Te2 -","- Cd2 O7 Te2 -","- Cd8 O28 Te8 -","4","2","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164007","2020-10-21","18:00:00",""
"1536337","9.3039","","7.3196","","13.2479","","90","","122.914","","90","","757.379","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cd2 (Te3 O9)","","- Cd2 O9 Te3 -","- Cd2 O9 Te3 -","- Cd8 O36 Te12 -","4","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164011","2020-10-21","18:00:00",""
"1536340","10.9536","","16.556","","15.779","","90","","90","","90","","2861.49","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca4 (Te5 O14)","","- Ca4 O14 Te5 -","- Ca4 O14 Te5 -","- Ca32 O112 Te40 -","8","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164014","2020-10-21","18:00:00",""
"1536425","5.4937","","5.4937","","7.56979","","90","","90","","90","","228.462","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Y Ba Co Mn O5","","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","- Ba2 Co2 Mn2 O10 Y2 -","2","0.25","","Karen, P.; Suard, E.; Fauth, F.; Woodward, P.M.","Y Ba Mn Co O5: neither valence mixed nor charge ordered","Solid State Sciences","2004","6","","1195","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536428","3.89198","","3.89198","","7.59783","","90","","90","","90","","115.088","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Y Ba Co Mn O5","","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","1","0.0625","","Karen, P.; Fauth, F.; Suard, E.; Woodward, P.M.","Y Ba Mn Co O5: neither valence mixed nor charge ordered","Solid State Sciences","2004","6","","1195","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536579","12.777","","5.589","","27.971","","90","","101.009","","90","","1960.67","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bi13 As3 Mo6 O42","","- As3 Bi13 Mo6 O42 -","- As3 Bi13 Mo6 O42 -","- As6 Bi26 Mo12 O84 -","2","0.5","","Duc, F.; Rozier, P.; Millet, P.; Galy, J.","Bi(7-x) As(1+x) Mo3 O21 (0 <= x <= 1) a new pillar structure type: synthesis, crystal structure and conductivity","Solid State Sciences","2004","6","","897","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536957","7.496","","7.496","","4.3249","","90","","90","","90","","243.016","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Nd2 Ge2 In","","- Ge2 In Nd2 -","- Ge2 In Nd2 -","- Ge4 In2 Nd4 -","2","0.125","","Zaremba, V.I.; Kaczorowski, D.; Nychyporuk, G.; Poettgen, R.; Rodewald, U.C.","Structure and physical properties of RE2 Ge2 In (RE = La, Ce, Pr, Nd)","Solid State Sciences","2004","6","","1301","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536960","7.532","","7.532","","4.3469","","90","","90","","90","","246.604","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr2 Ge2 In","","- Ge2 In Pr2 -","- Ge2 In Pr2 -","- Ge4 In2 Pr4 -","2","0.125","","Zaremba, V.I.; Kaczorowski, D.; Nychyporuk, G.; Rodewald, U.C.; Poettgen, R.","Structure and physical properties of RE2 Ge2 In (RE = La, Ce, Pr, Nd)","Solid State Sciences","2004","6","","1301","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537024","10.011","","7.657","","12.03","","90","","96.85","","90","","915.568","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Fe (C (N H2)3)2 (S O4)2 (H2 O)6","","- C2 H24 Fe N6 O14 S2 -","- C2 H24 Fe N6 O14 S2 -","- C4 H48 Fe2 N12 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of MII guanidinium sulphate hydrates (MII= Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537028","6.364","","6.423","","9.944","","90.06","","97.04","","110.05","","378.553","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 Mn (S O4)2 (H2 O)4","","- C2 H20 Mn N6 O12 S2 -","- C2 H20 Mn N6 O12 S2 -","- C2 H20 Mn N6 O12 S2 -","1","0.5","","Fleck, M.; Tillmanns, E.; Bohaty, L.","Structural characterisation of MII guanidinium sulphate hydrates (MII=Mn,Fe,Co,Ni,Cd,VO)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537032","10.088","","7.648","","12.02","","90","","96.95","","90","","920.565","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 Co (S O4)2 (H2 O)6","","- C2 H24 Co N6 O14 S2 -","- C2 H24 Co N6 O14 S2 -","- C4 H48 Co2 N12 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of MII guanidinium sulphate hydrates (MII=Mn,Fe,Co,Ni,Cd,VO)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537281","27.5965","","27.5965","","38.2572","","90","","90","","90","","29135.4","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Na7 Mn4 Fe6 ((Mo2 O4)3 (H P O4)2 (P O4)2 (O H)3)4 (P O4) (H2 O)40","","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe48 Mn32 Mo192 Na56 O1312 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Varret, F.; Secheresse, F.","Three-dimensional Mn/Fe molybdenum(V) phosphates","Solid State Sciences","2004","6","","719","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","165331","2020-10-21","18:00:00",""
"1537350","8.988","","8.988","","3.224","","90","","90","","90","","260.448","","","","","","","","","","","","","2","I 4/m","-I 4","87","","V5 S4","","- S4 V5 -","- S4 V5 -","- S8 V10 -","2","0.125","","Groenvold, F.; Haraldsen, H.; Pedersen, B.; Tufte, T.","X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","165458","2020-10-21","18:00:00",""
"1537351","6.706","","6.706","","17.412","","90","","90","","120","","678.12","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","V7 S8","","- S8 V7 -","- S8 V7 -","- S24 V21 -","3","0.5","","Groenvold, F.; Pedersen, B.; Haraldsen, H.; Tufte, T.","X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","165459","2020-10-21","18:00:00",""
"1537652","2.777","","2.777","","4.49","","90","","90","","120","","29.987","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Pd -","- Mo0.97 Pd1.03 -","- Mo0.97 Pd1.03 -","1","0.0416667","","Anderson, E.","The equilibrium diagram of the system molybdenum-palladium","Journal of the Less-Common Metals","1964","6","","81","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537799","4.926","","4.926","","4.926","","90","","90","","90","","119.532","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pr3 Tl -","- Pr3 Tl -","- Pr3 Tl -","1","0.0208333","","Birgeneau, R.J.; Als-Nielsen, J.; Bucher, E.","Neutron scattering from fcc Pr and Pr3 Tl","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","6","","2724","2729","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537852","25.771","","25.771","","5.371","","90","","90","","120","","3089.22","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","(Na5.03 K0.98 Cl1.62) (Ca2 Cl2) (Si6 Al6 O24)","","- Al6 Ca2 Cl3.62 K0.98 Na5.03 O24 Si6 -","- Al6 Ca2 Cl3.624 K0.975 Na5.025 O24 Si6 -","- Al24 Ca8 Cl14.496 K3.9 Na20.1 O96 Si24 -","4","0.333333","","Bonaccorsi, E.; Merlino, S.; Orlandi, P.; Pasero, M.; Vezzalini, G.","Quadridavyne, ((Na, K)6 Cl2) (Ca2 Cl2) (Si6 Al6 O24), a new feldspathoid mineral from Vesuvius area","European Journal of Mineralogy (1,1989-)","1994","6","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","166214","2020-10-21","18:00:00",""
"1537854","12.886","","12.886","","5.371","","90","","90","","120","","772.364","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","(Na4 K2 Cl2) (Ca2 Cl2) (Si6 Al6 O24)","","- Al6 Ca2 Cl4 K2 Na4 O24 Si6 -","- Al6 Ca2 Cl4.002 K1.998 Na3.996 O24 Si6 -","- Al6 Ca2 Cl4.002 K1.998 Na3.996 O24 Si6 -","1","0.0833333","","Bonaccorsi, E.; Merlino, S.; Orlandi, P.; Pasero, M.; Vezzalini, G.","Quadridavyne, ((Na, K)6 Cl2) (Ca2 Cl2) (Si6 Al6 O24), a new feldspathoid mineral from Vesuvius area","European Journal of Mineralogy (1,1989-)","1994","6","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","166217","2020-10-21","18:00:00",""
"1538016","2.938","","2.938","","2.883","","90","","90","","120","","21.552","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","Ta N","","- N Ta -","- N Ta -","- N Ta -","1","0.0833333","","Fontbonne, A.; Gilles, J.C.","Nouveaux nitrures de tantale. Nitrure et oxynitrures mixtes de tantale et de niobium","Revue Internationale des Hautes Temperatures et des Refractaires","1969","6","","181","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538086","6.77","","7.04","","6.46","","90","","104","","90","","298.743","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ce (P O4)","","- Ce O4 P -","- Ce O4 P -","- Ce4 O16 P4 -","4","1","","Ghouse, K.M.","Refinement of the crystal structure of heat-treated monazite crystal","Indian Journal for Pure and Applied Physics","1968","6","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538131","3.8905","","3.8905","","3.8905","","90","","90","","90","","58.887","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd4 W)0.8","","- Pd3.2 W0.8 -","- Pd3.2 W0.8 -","- Pd3.2 W0.8 -","1","0.00520833","","Goetz, W.K.; Brophy, J.H.","A constitution diagram for the tungsten-palladium system","Journal of the Less-Common Metals","1964","6","","345","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","166558","2020-10-21","18:00:00",""
"1538230","4.58","","4.58","","4.392","","90","","90","","90","","92.128","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- In Mg -","- In Mg -","- In2 Mg2 -","2","0.125","","Ino, Noriko; Hirabayashi, Makoto; Ogawa, Shiro","X-ray and Thermal Analyses of the Order-Disorder Transition in Magnesium-Indium Alloys","Transactions of the Japan Institute of Metals","1965","6","3","172","178","10.2320/matertrans1960.6.172","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538235","12.616","","3.284","","5.689","","90","","127.71","","90","","186.467","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V3 S4","","- S4 V3 -","- S4 V3 -","- S8 V6 -","2","0.25","","Gronvold, F.; Haraldsen, H.; Pedersen, B.; Tufte, T.","X-ray and magnetic study of vavadium sulfides in the range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","166672","2020-10-21","18:00:00",""
"1538238","5.854","","3.31","","5.825","","90","","90","","90","","112.87","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","V S","","- S V -","- S V -","- S4 V4 -","4","0.5","","Gronvold, F.; Tufte, T.; Pedersen, B.; Haraldsen, H.","X-ray and magnetic study of vavadium sulfides in the range V5 S4 to V5 S8","Revue de Chimie Minerale","1969","6","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538308","11.983","","8.267","","4.332","","90","","90","","90","","429.143","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ce O S O4 H2 O","","- Ce H2 O6 S -","- Ce O6 S -","- Ce4 O24 S4 -","4","1","","Lundgren, G.","The crystal structure of Ce O S O4 H2 O","Arkiv foer Kemi","1953","6","","59","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538491","9.98","","16.15","","11.65","","90","","90","","90","","1877.71","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","((P Cl4) (Sb Cl6)) (As Cl3)","","- As Cl13 P Sb -","- As Cl13 P Sb -","- As4 Cl52 P4 Sb4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538492","10.03","","16.32","","11.71","","90","","90","","90","","1916.81","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","P Cl4 Nb Cl6 As Cl3","","- As Cl13 Nb P -","- As Cl13 Nb P -","- As4 Cl52 Nb4 P4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538493","10.09","","16.1","","11.67","","90","","90","","90","","1895.78","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","P Cl4 Ta Cl6 As Cl3","","- As Cl13 P Ta -","- As Cl13 P Ta -","- As4 Cl52 P4 Ta4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539060","12.621","","12.621","","12.621","","90","","90","","90","","2010.4","","","","","","","","","","","","","4","I 41 3 2","I 4bd 2c 3","214","","Ca3 Zn3 (Te O6)2","","- Ca3 O12 Te2 Zn3 -","- Ca3 O12 Te2 Zn3 -","- Ca24 O96 Te16 Zn24 -","8","0.166667","","Rozhdestvenskaya, I.V.; Zajakina, N.V.; Kim, A.A.","Yafsoanite: a garnet type calcium-tellurium(vi)-zinc oxide","Mineralogiceskij Zhurnal","1984","6","","75","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","167792","2020-10-21","18:00:00",""
"1539136","12.6986","0.001","12.8906","0.0013","14.9043","0.0016","90.191","0.009","108.659","0.008","92.048","0.007","2309.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N8 O5 Zn -","- C45 H56 Cl2 N8 O5 Zn -","- C90 H112 Cl4 N16 O10 Zn2 -","2","1","","Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan","Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide","Catal. Sci. Technol.","2016","6","6","1779","","10.1039/C5CY01290B","","","1.54184","CuKα","","0.1248","0.102","","","0.2717","0.3093","","","","","","1.009","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1539181","4.155","","4.155","","6.711","","90","","90","","120","","100.337","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.0833333","","Vanyarkho, V.G.; Zlomanov, V.P.; Novoselova, A.V.","The system Pb Te - Mn Te","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1970","6","","1102","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539213","7.661","","7.661","","7.661","","90","","90","","90","","449.631","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Th -","- Ir2 Th -","- Ir16 Th8 -","8","0.0416667","","Thomson, J.R.","Alloys of thorium with certain transition metals II. The systems thorium-osmium, thorium-iridium and thorium-platinum","Journal of the Less-Common Metals","1964","6","","3","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539215","5.335","","5.335","","4.286","","90","","90","","120","","105.646","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ir5 Th -","- Ir5 Th -","- Ir5 Th -","1","0.0416667","","Thomson, J.R.","Alloys of thorium with certain transition metals II. The systems thorium-osmium, thorium-iridium and thorium-platinum","Journal of the Less-Common Metals","1964","6","","3","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539489","10.715","","10.715","","10.715","","90","","90","","90","","1230.2","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Na2 Cd O2","","- Cd Na2 O2 -","- Cd0.999 Na2.001 O2 -","- Cd15.984 Na32.016 O32 -","16","0.333333","","Vielhaber, E.; Hoppe, R.","Ueber Oxocadmate der Alkalimetalle (I)","Revue de Chimie Minerale","1969","6","","169","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539630","9.545","","9.545","","11.21","","90","","90","","120","","884.48","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Mo3 Se4 -","- Mo3 Se4 -","- Mo18 Se24 -","6","0.333333","","Bars, O.; Guillevic, J.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene: I. Structure cristalline de Mo3 Se4","Journal of Solid State Chemistry","1973","6","","48","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539679","18.931","","6.858","","5.931","","90","","94.85","","90","","767.258","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cd5 (O H)8 (N O3)2 (H2 O)2","","- Cd5 H12 N2 O16 -","- Cd5 N2 O16 -","- Cd10 N4 O32 -","2","0.25","","Benard, P.; Louer, D.; Louer, M.","Solving the crystal structure of Cd5 (O H)8 (N O3)2 (H2 O)2 from powder diffraction data. A comparison with single crystal data","Powder Diffraction","1991","6","","10","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539725","6.361","","6.361","","6.361","","90","","90","","90","","257.381","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Yb Te","","- Te Yb -","- Te Yb -","- Te4 Yb4 -","4","0.0208333","","Chatterjee, A.; Singh, A.K.; Jayaraman, A.","Pressure-induced electronic collapse and stuctural changes in rare-earth monochalcogenides","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","6","","2285","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539928","5.689","","5.689","","5.689","","90","","90","","90","","184.123","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Na Pt3 O4","","- Na O4 Pt3 -","- Na O4 Pt3 -","- Na2 O8 Pt6 -","2","0.0416667","","Waser, J.; McClanahan, E.D.jr.","The Structure of Na Pt3 O4","Experientia","1950","6","","379","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540267","20.048","","19.884","","13.352","","90","","90","","90","","5322.57","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","H1.22 (Si94.43 Al1.57 O192) (H2 O)16","","- Al1.57 H33.22 O208 Si94.43 -","- Al1.5744 O208 Si94.4256 -","- Al1.5744 O208 Si94.4256 -","1","0.125","","Li, X.; Gu, C.; Zhong, B.","Structure of two ZSM-5 zeolites and correlations with their properties","Fenzi Cuihua","1992","6","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540417","11.7833","0.0003","32.7044","0.001","13.6983","0.0004","90","","111.821","0.003","90","","4900.6","0.3","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1128","0.056","","","0.0905","0.1062","","","","","","0.984","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540418","18.3485","0.0007","16.9164","0.0007","17.4629","0.0008","90","","100.428","0.004","90","","5330.8","0.4","100","2","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H76 Cl2 F N2 P Ru -","- C61 H76 Cl2 F N2 P Ru -","- C244 H304 Cl8 F4 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.1056","0.0586","","","0.1413","0.1688","","","","","","1.016","","","","has coordinates,has disorder","181521","2020-10-21","18:00:00",""
"1540419","14.15","0.0004","14.3631","0.0003","24.5735","0.0004","90","","90","","90","","4994.27","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.0762","0.0488","","","0.0703","0.0795","","","","","","0.905","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540530","12.7487","0.0004","19.7725","0.0006","18.4361","0.0005","90","","103.046","0.001","90","","4527.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 N2 O2 P2 Rh2 S2 -","- C45 H62 N2 O2 P2 Rh2 S2 -","- C180 H248 N8 O8 P8 Rh8 S8 -","4","1","","Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I.","Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation","Catal. Sci. Technol.","2016","6","5","1320","","10.1039/C5CY01505G","","","0.71073","MoKα","","0.0396","0.0255","","","0.0542","0.058","","","","","","1.023","","","","has coordinates","177625","2020-10-21","18:00:00",""
"1540648","20.3261","0.0011","54.668","0.003","16.5827","0.0009","90","","90","","90","","18426.5","1.7","88","2","88","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C81 H141 K2 La2 N4 O13 Si4 -","- C81 H141 K2 La2 N4 O13 Si4 -","- C648 H1128 K16 La16 N32 O104 Si32 -","8","1","","Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J.","Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants","Chem. Sci.","2015","6","12","7267","","10.1039/C5SC02486B","","","0.71073","MoKα","","0.065","0.0553","","","0.1258","0.1305","","","","","","1.211","","","","has coordinates","170858","2020-10-21","18:00:00",""
"1540718","11.2087","0.0004","15.5479","0.0006","20.7874","0.0008","90","","97.185","0.001","90","","3594.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F3 N O7 P2 Rh S -","- C35 H37 F3 N O7 P2 Rh S -","- C140 H148 F12 N4 O28 P8 Rh4 S4 -","4","1","","Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye","Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins","Catal. Sci. Technol.","2016","6","11","3854","","10.1039/C5CY01827G","","","0.71073","MoKα","","0.0574","0.0436","","","0.1064","0.1168","","","","","","1.032","","","","has coordinates","185093","2020-10-21","18:00:00",""
"1540860","7.6805","","7.6805","","2.975","","90","","90","","120","","151.984","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Si3 Al3 O3 N5","","- Al3 N5 O3 Si3 -","- Al3 N5.002 O2.998 Si3 -","- Al3 N5.002 O2.998 Si3 -","1","0.0833333","","van Dijen, F.K.; Helmholdt, R.B.; Metselaar, R.","Neutron diffraction study of beta' - sialon","Journal of Materials Science. Letters","1987","6","","1101","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","172022","2020-10-21","18:00:00",""
"1541062","2.74","","2.74","","4.398","","90","","90","","120","","28.595","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tc -","- Tc -","- Tc2 -","2","0.0833333","","Trzebiatowski, W.; Rudzinski, J.","The composition and structure of technetium nitride and technetium borides","Journal of the Less-Common Metals","1964","6","","244","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541072","3.8889","","3.8889","","15.726","","90","","90","","90","","237.833","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Eu2 Ba2 Cu2 Ti2 O11","","- Ba2 Cu2 Eu2 O11 Ti2 -","- Ba2 Cu2 Eu2 O11 Ti2 -","- Ba2 Cu2 Eu2 O11 Ti2 -","1","0.0625","","Palacin, M. R.; Fuertes, A.; Casan-Pastor, N.; Gomez-Romero, P.","Induction of bidimensionality in mixed Cu‒Ti perovskites","Advanced Materials","1994","6","1","54","57","10.1002/adma.19940060110","","","","","","","","","","","","","","","","","","","","","has coordinates","174696","2020-10-21","18:00:00",""
"1541250","5.1555","","5.1555","","5.1555","","90","","90","","90","","137.029","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ti F2","","- F2 Ti -","- F2 Ti -","- F8 Ti4 -","4","0.0208333","","Morita, N.; Endo, T.; Sato, T.; Shimada, M.","Ti F2 with fluorite structure - a new compound","Journal of Materials Science. Letters","1987","6","","859","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541422","10.74","","10.74","","10.74","","90","","90","","90","","1238.83","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cu3 (Sb S4)","","- Cu3 S4 Sb -","- Cu3 S4 Sb -","- Cu24 S32 Sb8 -","8","0.0416667","","Alieva, A.G.; Pinsker, Z.G.","An electron diffraction study of Cu3 Sb S4","Kristallografiya","1961","6","","204","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541669","8.457","","13.812","","10.189","","90","","91.2","","90","","1189.9","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H15 N O8 P2 Zn -","- C16 H60 N4 O32 P8 Zn4 -","4","2","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541781","9.93","","16.04999","","8.24","","90","","107.35","","90","","1253.51","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr (B (O H)4)2","","- B2 H8 O8 Sr -","- B2 O8 Sr -","- B16 O64 Sr8 -","8","2","","Kravchenko, V.B.","Crystal structure of the monoclinic modification of Sr B2 O4 * 4 H2 O = Sr (B (O H)4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","872","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541782","10.08","","16.6","","8.37","","90","","106.8","","90","","1340.76","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ba (B (O H)4)2","","- B2 Ba H8 O8 -","- B2 Ba H8 O8 -","- B16 Ba8 H64 O64 -","8","2","","Kravchenko, V.B.","Crystal Structure of Ba B2 O4 * 4 H2 O = Ba (B (O H)4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","724","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1541822","16.006","","9.873","","15.198","","90","","90","","90","","2401.7","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H3 N O8 P2 Zn -","- C32 H24 N8 O64 P16 Zn8 -","8","0.5","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541849","7.5743","","17.45329","","5.6353","","90","","90","","90","","744.967","","","","","","","","","","","","","5","A m a 2","A 2 -2a","40","","Mn (N (C N)2)2 (H2 O)","","- C4 H2 Mn N6 O -","- C4 Mn N6 O -","- C16 Mn4 N24 O4 -","4","0.5","","Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.","Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide","Chemistry - A European Journal","2000","6","","3186","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541874","4.31","","4.31","","41.7","","90","","90","","120","","670.844","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sn Sb2 Te4","","- Sb2 Sn Te4 -","- Sb2 Sn Te4 -","- Sb6 Sn3 Te12 -","3","0.0833333","","Talybov, A.G.","Electron diffraction study of the structure of Sn Sb2 Te4","Kristallografiya","1961","6","","49","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541895","15.783","0.003","12.467","0.002","12.928","0.002","90","","102.277","0.003","90","","2485.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","2","","Xiu, Jianmin; Yi, Wenbin","Radical-based regioselective cross-coupling of indoles and cycloalkanes","Catal. Sci. Technol.","2016","6","4","998","","10.1039/C5CY01907A","","","0.71073","MoKα","","0.0663","0.043","","","0.1028","0.1153","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541960","14.03","","8.51","","9.93","","90","","94.5","","90","","1181.94","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ca3 Al2 (S O4) F8 (O H)2 (H2 O)2","","- Al2 Ca3 F8 H6 O8 S -","- Al2 Ca3 F8 O8 S -","- Al8 Ca12 F32 O32 S4 -","4","0.5","","Brusentsev, F.A.; Borisov, S.V.; Klevcova, R.F.","Refinement of the crystal structure of kridite Ca3 Al2 (F, O H)10 S O4 (H2 O)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","567","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541998","3.971","","3.971","","3.971","","90","","90","","90","","62.618","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr ((Fe Nb)0.5 O3)","","- Fe0.5 Nb0.5 O3 Sr -","- Fe0.5 Nb0.5 O3 Sr -","- Fe0.5 Nb0.5 O3 Sr -","1","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","An X-ray study of the phase transition in Sr2 Fe Nb O6","Kristallografiya","1961","6","","794","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542030","2.89","","2.89","","16.4","","90","","90","","120","","118.623","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","W N2","","- N2 W -","- N2 W -","- N6 W3 -","3","0.0833333","","Khitrova, V.I.","Thin films of rhomboedral tungsten nitride","Kristallografiya","1961","6","","549","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542116","5.176","","5.176","","10.353","","90","","90","","120","","240.207","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ta5 N6","","- N6 Ta5 -","- N6 Ta5 -","- N12 Ta10 -","2","0.0833333","","Fontbonne, A.; Gilles, J.C.","Nouveaux nitrures de tantale. Nitrure et oxynitrures mixtes de tantale et de niobium","Revue Internationale des Hautes Temperatures et des Refractaires","1969","6","","181","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","174119","2020-10-21","18:00:00",""
"1542136","10.64","","18.36","","5.04","","90","","90","","90","","984.566","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Mamedov, Kh.S.; Gamidov, R.S.; Belov, N.V.","Crystal structure of hopeite, Zn3 (P O4)2 (H2 O)4","Kristallografiya","1961","6","","114","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","174155","2020-10-21","18:00:00",""
"1542168","3.9404","","3.9404","","3.9404","","90","","90","","90","","61.182","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na (Nb O3)","","- Na Nb O3 -","- Na Nb O3 -","- Na Nb O3 -","1","0.0208333","","Solov'ev, S.P.; Zhdanov, G.S.; Venevtsev, Yu.N.","An X-ray study of phase transitions in Na Nb O3","Kristallografiya","1961","6","","218","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542224","7.98","","4.69","","6.12","","89.67","","91","","90.45","","229.003","","","","","","","","","","","","","3","C 1","C 1","1","","Rb (Be2 F5)","","- Be2 F5 Rb -","- Be2 F5 Rb -","- Be4 F10 Rb2 -","2","","","Ilyukhin, V.V.; Belov, N.V.","The crystal structure of rubidium di (meta) fluoroberyllate (Rb Be2 F5) and its relationship to silicate sheet structures with (Si2 O5) units","Kristallografiya","1961","6","","847","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542227","4.25","","4.25","","20.86","","90","","90","","120","","326.304","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cu I -","- Cu I -","- Cu6 I6 -","6","1","","Kurdyumova, R.N.; Baranova, R.V.","An electron diffraction study of thin films of cuprous iodide","Kristallografiya","1961","6","","402","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542248","3.977","","3.977","","4.042","","90","","90","","90","","63.93","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Ba0.8 Pb0.2) (Ti O3)","","- Ba0.8 O3 Pb0.2 Ti -","- Ba0.8 O3 Pb0.2 Ti -","- Ba0.8 O3 Pb0.2 Ti -","1","0.0625","","Venevtsev, Yu.N.; Zhdanov, G.S.; Bondarenko, V.S.; Chkalova, V.V.; Stember, N.G.","Anomalous variations in the lattice constants and the dielectric and piezoelectric parameters of (Ba, Pb) Ti O3 solid solutions","Kristallografiya","1961","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542279","9.4008","0.0005","11.5017","0.0006","13.7959","0.0007","108.56","0.001","106.079","0.002","97.893","0.002","1316.5","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","- C42 H30 Cu La4 N6 O38 S2 -","1","0.5","","Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo","A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes","Catal. Sci. Technol.","2016","6","11","3727","","10.1039/C5CY01448D","","","0.71073","MoKα","","0.0296","0.0278","","","0.0765","0.0782","","","","","","1.039","","","","has coordinates","185092","2020-10-21","18:00:00",""
"1542345","28.294","0.0017","11.04","0.0007","15.2266","0.0009","90","","111.304","0.001","90","","4431.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 F3 Ir N2 O4 Si -","- C21 H26 F3 Ir N2 O4 Si -","- C168 H208 F24 Ir8 N16 O32 Si8 -","8","1","","Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes","Catal. Sci. Technol.","2016","6","12","4410","","10.1039/C5CY02139A","","","0.71073","MoKα","","0.0803","0.0645","","","0.1113","0.1155","","","","","","1.317","","","","has coordinates","185090","2020-10-21","18:00:00",""
"1542353","17.888","0.0011","8.6252","0.0005","21.0338","0.0013","90","","111.094","0.002","90","","3027.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B F4 Fe N3 O P -","- C28 H41 B F4 Fe N3 O P -","- C112 H164 B4 F16 Fe4 N12 O4 P4 -","4","1","","Butschke, B.; Feller, M.; Diskin-Posner, Y.; Milstein, D.","Ketone hydrogenation catalyzed by a new iron(ii)‒PNN complex","Catal. Sci. Technol.","2016","6","12","4428","","10.1039/C5CY02036K","","","0.71073","MoKα","","0.0719","0.0414","","","0.0915","0.104","","","","","","1.004","","","","has coordinates,has disorder","185087","2020-10-21","18:00:00",""
"1542366","7.6344","0.0003","10.5128","0.0003","15.3514","0.0006","103.182","0.003","92.237","0.003","90.962","0.003","1198.29","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Cl3 P Ru -","- C22 H36 Cl3 P Ru -","- C44 H72 Cl6 P2 Ru2 -","2","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.0388","0.0335","","","0.0842","0.092","","","","","","1.06","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542367","6.8231","0.0001","11.2772","0.0002","33.5183","0.0006","90","","91.031","0.001","90","","2578.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 F6 O P Ru -","- C24 H23 Cl2 F6 O P Ru -","- C96 H92 Cl8 F24 O4 P4 Ru4 -","4","1","","González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio","Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides","Catal. Sci. Technol.","2016","6","12","4398","","10.1039/C5CY02142A","","","1.54184","CuKα","","0.056","0.0528","","","0.1227","0.1241","","","","","","1.17","","","","has coordinates","185088","2020-10-21","18:00:00",""
"1542397","13.9192","0.0008","13.7516","0.0007","21.5005","0.0012","90","","103.466","0.001","90","","4002.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 O12 Zn -","- C44 H30 N8 O12 Zn -","- C176 H120 N32 O48 Zn4 -","4","1","","Lephoto, Mapudumo; Nakano, Koji; Appavoo, Divambal; Owaga, Bernard; Nozaki, Kyoko; Darkwa, James","Pyrazole Supported Zinc(II) Benzoates as Catalysts for the Ring Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide","Catalysts","2016","6","1","17","","10.3390/catal6010017","","","0.71073","MoKα","","0.0656","0.0402","","","0.0838","0.0947","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542402","8.178","0.002","28.223","0.006","42.452","0.005","90","","93.55","0.02","90","","9779","3","293","2","293","2","","","","","","","Tavagnasco mine, Italy","8","P 1 21/n 1","-P 2yn","14","","","ciriottiite","- Ag1.6 As25.48 Bi2.39 Cu10.93 Hg1.88 Pb75.54 S224 Sb69.38 -","- Ag1.6 As25.48 Bi2.388 Cu10.932 Hg1.88 Pb75.544 S224 Sb69.376 -","- Ag1.6 As25.48 Bi2.388 Cu10.932 Hg1.88 Pb75.544 S224 Sb69.376 -","1","0.25","","Bindi, Luca; Biagioni, Cristian; Martini, Bruno; Salvetti, Adrio","Ciriottiite, Cu(Cu,Ag)3Pb19(Sb,As)22(As2)S56, the Cu-Analogue of Sterryite from the Tavagnasco Mining District, Piedmont, Italy","Minerals","2016","6","1","8","","10.3390/min6010008","","","0.71073","MoKα","","0.1194","0.1176","","","0.3182","0.3187","","","","","","1.159","","","","has coordinates","175835","2020-10-21","18:00:00",""
"1542404","7.5973","0.0006","8.106","0.0006","12.4901","0.0012","89.576","0.003","86.095","0.002","69.787","0.002","720.03","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N O6 -","- C12 H18 Cu N O6 -","- C24 H36 Cu2 N2 O12 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0394","0.0316","","","0.0762","0.0786","","","","","","1.098","","","","has coordinates","185089","2020-10-21","18:00:00",""
"1542405","9.2907","0.0005","13.3305","0.0006","15.2281","0.0007","90","","107.358","0.002","90","","1800.11","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Cu N2 O9 -","- C14 H27 Cu N2 O9 -","- C56 H108 Cu4 N8 O36 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.","New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes","Catal. Sci. Technol.","2016","6","12","4584","","10.1039/C5CY02084K","","","0.71069","MoKα","","0.0719","0.0524","","","0.1452","0.1587","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542415","14.1412","0.0004","9.6921","0.0003","13.6154","0.0004","90","","93.23","0.001","90","","1863.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br2 Fe N3 Ni -","- C19 H17 Br2 Fe N3 Ni -","- C76 H68 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.0214","0.0208","","","0.0535","0.054","","","","","","1.059","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542416","14.2482","0.0003","9.8031","0.0002","14.1378","0.0003","90","","96.793","0.001","90","","1960.86","0.07","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br2 Fe N3 Ni -","- C20 H19 Br2 Fe N3 Ni -","- C80 H76 Br8 Fe4 N12 Ni4 -","4","1","","Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James","(Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation","Catal. Sci. Technol.","2016","6","13","4814","","10.1039/C5CY02055G","","","1.54178","CuKα","","0.051","0.0502","","","0.1279","0.129","","","","","","1.101","","","","has coordinates","185081","2020-10-21","18:00:00",""
"1542536","9.92044","0.00014","14.02733","0.00018","18.6185","0.0003","90","","101.515","0.0013","90","","2538.75","0.06","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F6 N4 O6 S2 Zn -","- C22 H16 F6 N4 O6 S2 Zn -","- C88 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.032","0.0274","","","0.0665","0.0691","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542537","9.75476","0.00012","14.26536","0.00017","19.5942","0.0002","90","","95.2384","0.0011","90","","2715.25","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N4 O6 S2 Zn -","- C26 H16 F6 N4 O6 S2 Zn -","- C104 H64 F24 N16 O24 S8 Zn4 -","4","0.5","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.7107","MoKα","","0.0328","0.0271","","","0.0689","0.0722","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542538","8.3731","0.0003","8.6907","0.0003","11.7281","0.0005","68.851","0.003","81.968","0.003","82.401","0.003","785.04","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C.","Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide","Catal. Sci. Technol.","2016","6","13","4824","","10.1039/C6CY00134C","","x-ray","0.71073","MoKα","","0.0331","0.0304","","","0.0525","0.0539","","","","","","0.966","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542578","7.1145","0.0002","7.6417","0.0002","15.3159","0.0005","93.275","0.001","97.569","0.001","113.744","0.001","749.96","0.04","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C32 H22 F6 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0258","0.0244","","","0.0585","0.0594","","","","","","1.069","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542579","7.2471","0.0004","31.8822","0.0018","6.7406","0.0003","90","","104.266","0.003","90","","1509.41","0.14","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0504","0.0328","","","0.0681","0.0739","","","","","","1.056","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"1542580","8.9791","0.0006","12.3295","0.0008","13.7453","0.0009","90","","100.651","0.003","90","","1495.49","0.17","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 Mo O3 -","- C16 H11 F3 Mo O3 -","- C64 H44 F12 Mo4 O12 -","4","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.1497","0.0624","","","0.1027","0.1299","","","","","","1.003","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542581","8.4202","0.0004","10.2245","0.0006","10.5319","0.0007","101.377","0.003","102.663","0.003","103.044","0.003","832.29","0.09","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H10 F6 Mo O3 -","- C17 H10 F6 Mo O3 -","- C34 H20 F12 Mo2 O6 -","2","1","","Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E.","Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis","Catal. Sci. Technol.","2016","6","13","4970","","10.1039/C5CY02220G","","x-ray","0.71073","MoKα","","0.0295","0.0242","","","0.0488","0.0506","","","","","","1.058","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1542628","12.7129","0.0008","13.3917","0.0008","17.6166","0.0011","93.824","0.003","90.923","0.002","93.204","0.002","2987.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H39 B F24 N3 P Pd -","- C63 H39 B F24 N3 P Pd -","- C126 H78 B2 F48 N6 P2 Pd2 -","2","1","","Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P.","(Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes","Catal. Sci. Technol.","2016","6","13","5069","","10.1039/C5CY02204E","","","0.71073","MoKα","","0.0434","0.041","","","0.1009","0.1025","","","","","","1.035","","","","has coordinates,has disorder","185083","2020-10-21","18:00:00",""
"1542764","36.067","0.003","15.5582","0.001","18.7893","0.0013","90","","92.869","0.004","90","","10530.2","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C50 H45 Cl F12 N10 O3 P2 Ru2 -","- C400 H360 Cl8 F96 N80 O24 P16 Ru16 -","8","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1151","0.0619","","","0.1498","0.1812","","","","","","1.029","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542765","15.1819","0.0015","26.556","0.002","15.5336","0.0019","90","","112.382","0.004","90","","5790.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C50.5 H43.25 Cl2 N13.75 O10 Ru2 -","- C202 H173 Cl8 N55 O40 Ru8 -","4","1","","Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Water oxidation catalysis with ligand substituted Ru‒bpp type complexes","Catal. Sci. Technol.","2016","6","13","5088","","10.1039/C6CY00197A","","","0.71073","MoKα","","0.1422","0.0942","","","0.2548","0.2835","","","","","","1.072","","","","has coordinates,has disorder","185086","2020-10-21","18:00:00",""
"1542911","8.914","0.0008","10.559","0.0007","10.6874","0.0007","82.779","0.006","72.066","0.007","70.261","0.007","900.55","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H17 N O7 -","- C21 H17 N O7 -","- C42 H34 N2 O14 -","2","2","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones","Catal. Sci. Technol.","2016","6","13","4686","","10.1039/C6CY00473C","","","0.7107","MoKα","","0.0657","0.0522","","","0.1289","0.1363","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542955","12.492","0.003","9.7027","0.0019","31.799","0.006","90","","94.843","0.003","90","","3840.5","1.4","138","","138","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl Fe N2 O3 -","- C38 H60 Cl Fe N2 O3 -","- C152 H240 Cl4 Fe4 N8 O12 -","4","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0417","0.04","","","0.1025","0.1039","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1542956","27.898","0.009","9.683","0.003","23.472","0.008","90","","110.032","0.004","90","","5957","3","168","","168","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H45 Cl Fe N2 O2.5 -","- C30.5 H45 Cl Fe N2 O2.5 -","- C244 H360 Cl8 Fe8 N16 O20 -","8","1","","Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.","Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes","Catal. Sci. Technol.","2016","6","14","5364","","10.1039/C6CY00477F","","","0.71075","MoKα","","0.0392","0.0375","","","0.0988","0.1006","","","","","","1.051","","","","has coordinates","185094","2020-10-21","18:00:00",""
"1543243","9.3613","0.0015","9.3135","0.0014","11.8981","0.0019","90","","102.497","0.005","90","","1012.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0541","0.0382","","","0.084","0.0915","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543244","10.4435","0.0016","9.209","0.0015","12.2744","0.0019","90","","102.599","0.004","90","","1152.1","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0659","0.0644","","","0.1662","0.1679","","","","","","1.133","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543573","8.287","0.0001","8.486","0.0001","25.305","0.0005","95.062","0.001","92.854","0.001","97.449","0.001","1754.25","0.05","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 F6 N5 O3 P Ru S -","- C30 H36 F6 N5 O3 P Ru S -","- C60 H72 F12 N10 O6 P2 Ru2 S2 -","2","1","","Marcé, Patricia; Paterson, Andrew J.; Mahon, Mary F.; Frost, Christopher G.","Mechanistic insight into ruthenium catalysed meta-sulfonation of 2-phenylpyridine","Catal. Sci. Technol.","2016","6","19","7068","","10.1039/C6CY01254J","","","0.71073","MoKα","","0.0667","0.0439","","","0.0819","0.0883","","","","","","1.035","","","","has coordinates,has disorder","187018","2020-10-21","18:00:00",""
"1543734","14.0128","0.0017","8.8244","0.0011","16.431","0.002","90","","112.361","0.002","90","","1879","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 S2 -","- C20 H17 N O4 S2 -","- C80 H68 N4 O16 S8 -","4","1","","Yang, Daoshan; Sun, Mingyang; Wei, Wei; Li, Jin; Sun, Pengfei; Zhang, Qingyun; Tian, Laijin; Wang, Hua","Copper-catalyzed decarboxylative stereospecific amidation of cinnamic acids with N-fluorobenzenesulfonimide","RSC Advances","2016","6","76","72361","72365","10.1039/C6RA16115D","","","0.71073","MoKα","","0.0952","0.0621","","","0.1508","0.169","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543935","9.4109","0.0007","11.7658","0.0008","15.5101","0.0007","77.188","0.005","80.638","0.005","67.2","0.007","1538.14","0.19","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H33 Cl Cu F3 N5 O7 -","- C27 H33 Cl Cu F3 N5 O7 -","- C54 H66 Cl2 Cu2 F6 N10 O14 -","2","1","","Xiao, Ying; Xu, Kailin; Wang, Qing; Xiong, Xinnuo; Huang, Yanmei; Li, Hui","Synthesis, structure, and calf-thymus DNA binding of ternary fleroxacin–Cu( <scp>ii</scp> ) complexes","RSC Advances","2016","6","83","80286","80295","10.1039/C6RA18971G","","x-ray","0.71073","MoKα","","0.0503","0.0377","","","0.0887","0.0973","","","","","","1.041","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543975","10.2921","0.0001","12.3711","0.0001","26.3067","0.0002","90","","90","","90","","3349.49","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40.5 O15.25 -","- C35 H40.5 O15.25 -","- C140 H162 O61 -","4","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","x-ray","1.54184","CuKα","","0.0314","0.03","","","0.0766","0.0781","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543976","12.4747","0.0003","8.9839","0.0001","13.2402","0.0003","90","","107.131","0.002","90","","1418.02","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O11 -","- C30 H38 O11 -","- C60 H76 O22 -","2","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","","1.54178","","","0.0695","0.0637","","","0.18","0.1888","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544035","5.3047","0.0003","9.4281","0.0005","10.3733","0.0006","73.857","0.003","79.443","0.004","83.488","0.003","488.84","0.05","299","2","299","2","","","","","","","","5","P 1","P 1","1","phthalonitrile","","","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","1","1","","Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne","Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights","Crystals","2016","6","8","89","","10.3390/cryst6080089","","","0.71073","MoKα","","0.0403","0.0353","","","0.0874","0.0906","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544135","12.2298","0.0013","7.6667","0.0008","17.9898","0.0014","90","","125.106","0.005","90","","1379.9","0.2","185","2","185","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 F10 N4 Zn -","- C26 H20 F10 N4 Zn -","- C52 H40 F20 N8 Zn2 -","2","0.5","","Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng","Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs","Catal. Sci. Technol.","2016","6","21","7763","","10.1039/C6CY01587E","","","0.71073","MoKα","","0.0459","0.0372","","","0.0854","0.09","","","","","","1.057","","","","has coordinates","188059","2020-10-21","18:00:00",""
"1544176","8.808","","13.609","","14.247","","76.62","","87.56","","88.26","","1659.53","","296","2","296","2","","","","","","","","5","P -1","-P 1","2","F3","2,2-difluoro-4-(furan-2-yl)-6-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C20 H15 B F2 O4 -","- C20 H15 B F2 O4 -","- C80 H60 B4 F8 O16 -","4","2","","Liu, Chun; Zhang, Hao; Zhao, Jianzhang","Synthesis, characterization and properties of furan-containing difluoroboron complexes","RSC Advances","2016","6","95","92341","92348","10.1039/C6RA20489A","","","0.71073","MoKα","","0.0638","0.0535","","","0.143","0.1535","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544177","16.88","","9.056","","11.782","","90","","97.5","","90","","1785.65","","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","F2","2,2-difluoro-4-(furan-2-yl)-6-(4-(naphthalen-2-yl)phenyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C23 H15 B F2 O3 -","- C23 H15 B F2 O3 -","- C92 H60 B4 F8 O12 -","4","1","","Liu, Chun; Zhang, Hao; Zhao, Jianzhang","Synthesis, characterization and properties of furan-containing difluoroboron complexes","RSC Advances","2016","6","95","92341","92348","10.1039/C6RA20489A","","","0.71073","MoKα","","0.0879","0.0517","","","0.1301","0.1469","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544178","10.848","0.0005","10.848","0.0005","29.771","0.003","90","","90","","90","","3503.4","0.4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H35 Co2 N5 O9 -","- C35 H35 Co2 N5 O9 -","- C140 H140 Co8 N20 O36 -","4","0.5","","Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.","Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs","RSC Advances","2016","6","96","93707","93714","10.1039/C6RA09353A","","","0.71073","MoKα","","0.0529","0.042","","","0.088","0.0945","","","","","","1.075","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1544179","6.817","0.005","18.957","0.005","20.898","0.005","103.091","0.005","90.526","0.005","94.227","0.005","2622","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N7 O8 S2 -","- C48 H36 N7 O8 S2 -","- C96 H72 N14 O16 S4 -","2","1","","Shweta, Shweta; Kumar, Ajit; Neeraj, Neeraj; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.","A highly sensitive naphthaoxazole-based cell-permeable ratiometric chemodosimeter for hydrazine","RSC Advances","2016","6","97","94959","94966","10.1039/C6RA15081K","","","0.71073","MoKα","","0.145","0.0881","","","0.2092","0.2315","","","","","","0.984","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1544219","15.969","0.0004","10.6225","0.0004","15.6395","0.0005","90","","91.922","0.003","90","","2651.45","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl5 F5 N2 Ru -","- C22 H22 Cl5 F5 N2 Ru -","- C88 H88 Cl20 F20 N8 Ru4 -","4","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0463","0.0351","","","0.0833","0.0997","","","","","","0.859","","","","has coordinates,has disorder","190057","2020-10-21","18:00:00",""
"1544220","11.3681","0.0004","14.3155","0.0007","14.8357","0.0007","62.367","0.005","84.064","0.004","77.725","0.004","2090.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Cl8 N2 Ru -","- C36 H39 Cl8 N2 Ru -","- C72 H78 Cl16 N4 Ru2 -","2","1","","Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.","Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation","Catal. Sci. Technol.","2016","6","22","8024","","10.1039/C6CY01455K","","","0.71073","MoKα","","0.0766","0.0613","","","0.1725","0.1917","","","","","","1.069","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544266","11.8914","0.0007","12.9438","0.0007","15.3741","0.0009","90","","90","","90","","2366.4","0.2","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","C4","","- C20 H26 Cl2 Co N4 -","- C20 H26 Cl2 Co N4 -","- C80 H104 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0661","0.0633","","","0.1615","0.164","","","","","","1.069","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544267","14.2357","0.0014","8.2893","0.0008","15.2974","0.0017","90","","90","","90","","1805.2","0.3","115","2","114.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","C6","","- C17 H24 Cl2 Co N4 -","- C17 H24 Cl2 Co N4 -","- C68 H96 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0258","0.0216","","","0.0517","0.054","","","","","","1.06","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544268","11.1898","0.001","8.5968","0.0008","14.2382","0.0013","90","","103.253","0.003","90","","1333.2","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C7","","- C28 H31 Cl2 Co N5 -","- C28 H31 Cl2 Co N5 -","- C56 H62 Cl4 Co2 N10 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0207","0.0193","","","0.0464","0.0468","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1544269","9.0263","0.0011","9.19","0.0011","13.2981","0.0016","83.343","0.003","81.332","0.003","61.722","0.003","959.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","C8","","- C12 H34 Cl2 Co N4 O2 -","- C12 H34 Cl2 Co N4 O2 -","- C24 H68 Cl4 Co2 N8 O4 -","2","1","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0503","0.0488","","","0.1316","0.1333","","","","","","1.081","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544270","11.2962","0.0006","13.9276","0.0008","14.5394","0.0009","90","","90","","90","","2287.5","0.2","108","2","108","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Co(DMPDP)Cl2]","","","- C22 H32 Cl2 Co N4 O -","- C22 H32 Cl2 Co N4 O -","- C88 H128 Cl8 Co4 N16 O4 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0171","0.0168","","","0.0437","0.0438","","","","","","1.092","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1544367","9.044","0.0016","9.044","0.0016","40.737","0.01","90","","90","","120","","2885.6","1","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H20.24 Cl2 Co N4 O0.12 -","- C19 H20 Cl2 Co N4 O0.122 -","- C114 H120 Cl12 Co6 N24 O0.732 -","6","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.0651","0.0535","","","0.1076","0.1154","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544368","14.188","0.007","6.883","0.003","21.321","0.011","90","","107.131","0.009","90","","1989.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoHO-TMPAClCl? CoTMPAClCl","CoBr-TMPACl2","","- C18 H17 Br Cl2 Co N4 -","- C18 H17 Br Cl2 Co N4 -","- C72 H68 Br4 Cl8 Co4 N16 -","4","1","","Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong","A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites","Catal. Sci. Technol.","2016","6","24","8482","","10.1039/C6CY01897A","","","0.71073","MoKα","","0.1142","0.0832","","","0.2212","0.2487","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1544478","11.4926","0.0016","17.417","0.002","19.109","0.003","90","","103.684","0.002","90","","3716.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N3 O Rh -","- C44 H56 N3 O Rh -","- C176 H224 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.1028","0.0618","","","0.1104","0.1242","","","","","","1.077","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544479","11.3475","0.0014","17.783","0.002","19.583","0.002","90","","103.994","0.002","90","","3834.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N3 O Rh -","- C45 H58 N3 O Rh -","- C180 H232 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.046","0.0323","","","0.0755","0.0822","","","","","","1.029","","","","has coordinates,has disorder","190059","2020-10-21","18:00:00",""
"1544480","11.4003","0.0006","29.8414","0.0015","16.2873","0.0008","90","","105.512","0.001","90","","5339.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H72 N3 O Rh -","- C63 H72 N3 O Rh -","- C252 H288 N12 O4 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes","Catal. Sci. Technol.","2016","6","24","8548","","10.1039/C6CY01884J","","","0.71073","MoKα","","0.0393","0.0327","","","0.0767","0.0807","","","","","","1.053","","","","has coordinates","190059","2020-10-21","18:00:00",""
"1544551","5.0365","0.0007","7.2908","0.0009","5.7491","0.0009","90","","90","","90","","211.11","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","AlPO4 CrVO4 structure @ 13.9 GPa","","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188434","2020-10-21","18:00:00",""
"1544552","3.838","0.001","2.506","0.005","4.036","0.008","90","","87.4","0.2","90","","38.78","0.11","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","AlPO4 monoclinic CaCl2 structure @ 97.5 GPa","","","- Al O4 P -","- Al O4 P -","- Al O4 P -","1","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188435","2020-10-21","18:00:00",""
"1544676","9.032","0.002","5.2","0.003","20.15","0.04","90","","99.8","0.2","90","","933","2","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","lepidolite 2M2","","lepidolite 2M2","- Al2.01 F1.2 H0.8 K0.87 Li1.05 Na0.12 O10.4 Si3.39 -","- Al4 F2.4 K2 Li2.1 O21.6 Si6.8 -","- Al8 F4.8 K4 Li4.2 O43.2 Si13.6 -","2","0.25","","Takeda, H.; Haga, N.; Sadanaga, R.","Structural investigation of polymorphic transition between 2M2-, 1M- lepidolite and 2M1 muscovite","Mineralogical Journal","1971","6","","203","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","188705","2020-10-21","18:00:00",""
"1544677","5.188","0.004","8.968","0.003","10.029","0.005","90","","100.45","0.08","90","","458.9","0.5","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","KAlLi2Si4O10F2 lithium mica","","fluor-polylithionite","- Al F2 K Li2 O10 Si4 -","- Al1.01 F2 K Li1.99 O10 Si4 -","- Al2.02 F4 K2 Li3.98 O20 Si8 -","2","0.25","","Takeda, H.; Burnham, C.W.","Fluor-polylithionite: a lithium mica with nearly hexagonal (Si2O5)2- ring","Mineralogical Journal","1969","6","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","188706","2020-10-21","18:00:00",""
"1545048","5.6865","0.0004","11.515","0.002","8.2545","0.0007","90","","90","","90","","540.51","0.11","","","","","","","","","","","","4","I m m a","-I 2b 2","74","hydrous wadsleyite","","hydrous wadsleyite","- H0.162 Mg1.8965 O4 Si1.001 -","- H2 Mg1.8965 O4 Si1.001 -","- H16 Mg15.172 O32 Si8.008 -","8","0.5","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C.","Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K","Scientific Reports","2016","6","","34988","-","","","","","","","","","","","","","","","","","","","","","","has coordinates","190551","2020-10-21","18:00:00",""
"1545053","4.01867","","4.01867","","4.06542","","90","","90","","90","","65.655","","300","","","","100","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Al Ti -","- Al Ti -","- Al2 Ti2 -","2","0.125","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","","","","","","","","","","","","","","","","has coordinates","190600","2020-10-21","18:00:00",""
"1545054","5.76803","","5.76803","","4.64241","","90","","90","","120","","133.761","","300","","","","100","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Al Ti3 -","- Al Ti3 -","- Al2 Ti6 -","2","0.0833333","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","","","","","","","","","","","","","","","","has coordinates","190601","2020-10-21","18:00:00",""
"1545542","9.34","0.02","8.79","0.02","5.36","0.02","90","","90","","90","","440","2","","","1373","","","","","","","","","3","P b c n","-P 2n 2ab","60","MgSiO3","","protoenstatite at 1100 C","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Sadanaga, R.; Okamura, F.P.; Takeda, H.","X-ray study of the phase transformations of enstatite :Sample at 1100 C","Mineralogical Journal","1969","6","","110","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","194125","2020-10-21","18:00:00",""
"1545547","7.7299","0.0002","7.7299","0.0002","5.6587","0.0002","90","","90","","90","","338.115","0.017","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M.","Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph","Scientific Reports","2016","6","","39561","39561","10.1038/srep39561","","","","","","","","","","","","","","","","","","","","","has coordinates","194195","2020-10-21","18:00:00",""
"1547192","7.60872","0.00014","10.09635","0.00018","11.4337","0.0002","72.858","0.005","88.015","0.007","82.627","0.006","832.38","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 Na2 O11 -","- C14 H4 N2 Na2 O11 -","- C28 H8 N4 Na4 O22 -","2","1","","Kazuto Ikemoto; Hitoshi Sakamoto; Masahiko Nakano","Crystal structure and characterization of pyrroloquinoline quinone disodium trihydrate","Chemistry Central Journal","2012","6","","57","","10.1186/1752-153X-6-57","","","1.54187","CuKα","","","0.0475","","","","0.1429","","","","","","1.085","","","","has coordinates","200932","2020-10-21","18:00:00",""
"1547201","7.3859","0.0003","20.6898","0.0009","12.4157","0.0006","90","","90.165","0.001","90","","1897.27","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0695","0.0523","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547202","7.715","0.004","13.604","0.007","36.769","0.016","90","","90","","90","","3859","3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C168 H256 O24 -","8","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.121","0.061","","","0.1293","0.1691","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547203","7.7609","0.0005","13.2141","0.0008","18.6769","0.0011","90","","92.246","0.001","90","","1913.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 O4 -","- C21 H31 O3.75 -","- C84 H124 O15 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0699","0.0523","","","0.1342","0.1544","","","","","","1.053","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547204","11.5169","0.0019","6.7843","0.0012","12.82","0.002","90","","109.27","0.004","90","","945.6","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H35 O4 -","- C20 H35 O4 -","- C40 H70 O8 -","2","1","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0791","0.0452","","","0.0808","0.0914","","","","","","0.873","","","","has coordinates","200969","2020-10-21","18:00:00",""
"1547253","11.0707","0.0003","11.3028","0.0003","14.8929","0.0003","84.963","0.001","75.975","0.001","87.924","0.001","1800.8","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 Br2 N4 -","- C36 H32 Br2 N4 -","- C72 H64 Br4 N8 -","2","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0638","0.0472","","","0.1305","0.1376","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547254","16.452","0.0009","12.0683","0.0007","16.298","0.0009","90","","103.064","0.001","90","","3152.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0546","0.0424","","","0.1187","0.1293","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547261","9.4583","0.0019","10.494","0.002","11.545","0.002","70.49","0.03","73.27","0.03","64","0.03","957.2","0.4","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","","Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao","Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens","Chemistry Central Journal","2012","6","","99","","10.1186/1752-153X-6-99","","x-ray","0.71073","MoKα","","0.1115","0.0476","","","0.0971","0.1174","","","","","","1.043","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1547276","9.696","0.002","2.8947","0.0006","11.428","0.003","90","","101.69","0.02","90","","314.1","0.13","","","293","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe7 O9 -","- Fe7 O9 -","- Fe14 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0345","0.0339","","","0.0898","0.0907","","","","","","1.187","","","","has coordinates","201108","2020-10-21","18:00:00",""
"1547277","9.6901","0.0012","2.8943","0.0005","11.4397","0.0014","90","","102.045","0.014","90","","313.77","0.08","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Fe5.94 Mg1.06 O9 -","- Fe5.94 Mg1.064 O9 -","- Fe11.88 Mg2.128 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0508","0.0427","","","0.1178","0.1229","","","","","","1.194","","","","has coordinates","201109","2020-10-21","18:00:00",""
"1548032","9.6767","0.0014","9.6767","0.0014","20.172","0.003","90","","90","","120","","1635.8","0.4","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5 H7 N8 O0.5 Zn -","- C5 H7 N8 O0.5 Zn -","- C30 H42 N48 O3 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.041","0.0369","","","0.095","0.0994","","","","","","1.051","","","","has coordinates","203157","2020-10-21","18:00:00",""
"1548033","9.6963","0.0015","9.6963","0.0015","20.126","0.003","90","","90","","120","","1638.7","0.4","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5 H6 N8 Zn -","- C5 H6 N8 Zn -","- C30 H36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.019","0.0186","","","0.0489","0.0491","","","","","","1.003","","","","has coordinates","203158","2020-10-21","18:00:00",""
"1548034","9.663","0.003","9.663","0.003","20.224","0.005","90","","90","","120","","1635.4","0.8","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.7 H8.09 N8 Zn -","- C5.698 H8.094 N8 Zn -","- C34.188 H48.564 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0546","0.0448","","","0.1117","0.1203","","","","","","1.008","","","","has coordinates,has disorder","203159","2020-10-21","18:00:00",""
"1548035","9.6896","0.0016","9.6896","0.0016","20.153","0.004","90","","90","","120","","1638.6","0.5","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.78 H7.56 N8 Zn -","- C5.78 H7.56 N8 Zn -","- C34.68 H45.36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0343","0.0337","","","0.1023","0.1028","","","","","","1.059","","","","has coordinates","203160","2020-10-21","18:00:00",""
"1548036","9.7682","0.0015","9.7682","0.0015","20.1","0.004","90","","90","","120","","1660.9","0.5","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5.13 H6 N8 O0.27 Zn -","- C5.1355 H6 N8 O0.271 Zn -","- C30.813 H36 N48 O1.626 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0432","0.0422","","","0.1304","0.1313","","","","","","1.052","","","","has coordinates","203161","2020-10-21","18:00:00",""
"1548069","25.1999","0.0016","15.4651","0.0016","24.792","0.002","90","","112.931","0.007","90","","8898.4","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ga(Bipy)3][Al(OC(CF3)3)4]","","","- C68 H27 Al2 F73.75 Ga N6 O8 -","- C67.9992 H27 Al2 F73.7562 Ga N6 O7.9998 -","- C271.997 H108 Al8 F295.025 Ga4 N24 O31.9992 -","4","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1021","0.0752","","","0.1864","0.2063","","","","","","1.017","","","","has coordinates,has disorder","203252","2020-10-21","18:00:00",""
"1548070","22.4009","0.0011","30.7088","0.0016","20.4177","0.001","90","","95.459","0.002","90","","13981.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In3(BIPY)6][Al(OC(CF3)3)4]3","","- C108 H48 Al3 F108 In3 N12 O12 -","- C108 H48 Al3 F108.001 In3 N12 O12.0001 -","- C432.002 H192 Al12 F432.004 In12 N48 O48.0004 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.0755","0.068","","","0.1492","0.153","","","","","","1.204","","","","has coordinates,has disorder","203253","2020-10-21","18:00:00",""
"1548071","16.2891","0.0006","25.6709","0.0009","33.2531","0.0012","89.47","0.002","87.358","0.002","81.522","0.002","13738.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[In3(BIPY)5][Al(OC(CF3)3)4]3","","","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","1","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1043","0.0655","","","0.1519","0.1709","","","","","","1.024","","","","has coordinates,has disorder","203254","2020-10-21","18:00:00",""
"1548072","34.744","0.005","34.792","0.005","37.21","0.005","106.127","0.004","101.609","0.004","118.938","0.003","34671","9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[In4(BIPY)6][Al(OC(CF3)3)4]4","","- C124 H48 Al4 F144 In4 N12 O16 -","- C124 H48 Al4 F144 In4 N12 O16 -","- C992 H384 Al32 F1152 In32 N96 O128 -","8","4","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.155","0.074","","","0.1691","0.2157","","","","","","1.078","","","","has coordinates,has disorder","203255","2020-10-21","18:00:00",""
"1548073","20.2872","0.0005","28.7711","0.0007","19.7149","0.0006","90","","117.303","0.0013","90","","10225.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In4(PHEN)6][Al(OC(CF3)3)4]4","","- C86 H39 Al2 F75 In2 N6 O8 -","- C86 H39 Al2 F75 In2 N6 O8 -","- C344 H156 Al8 F300 In8 N24 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1347","0.09","","","0.2232","0.2524","","","","","","1.272","","","","has coordinates,has disorder","203256","2020-10-21","18:00:00",""
"1548074","16.4785","0.0008","23.7211","0.0012","25.2293","0.0013","90","","97.519","0.003","90","","9777","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[In(Phen)2Ag(C6H5F)][Al(OC(CF3)3)4]2","","- C80 H36 Ag Al2 F76 In N4 O8 -","- C80 H36 Ag Al2 F76 In N4 O8 -","- C320 H144 Ag4 Al8 F304 In4 N16 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.058","0.0363","","","0.0796","0.0898","","","","","","1.023","","","","has coordinates,has disorder","203257","2020-10-21","18:00:00",""
"1548158","21.7729","0.0008","10.4524","0.0009","9.7642","0.0003","90","","88.212","0.003","90","","2221","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0721","0.0533","","","0.1399","0.1554","","","","","","1.047","","","","has coordinates,has disorder","203476","2020-10-21","18:00:00",""
"1548159","11.2235","0.0003","9.8526","0.0002","20.7922","0.0005","90","","88.74","0.001","90","","2298.66","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0639","0.0517","","","0.1452","0.1564","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548160","11.181","0.015","9.809","0.013","20.71","0.03","90","","88.545","0.013","90","","2271","5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0719","0.05","","","0.1254","0.1397","","","","","","1.028","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548161","10.697","0.002","9.84","0.002","20.854","0.004","90","","90.15","0.03","90","","2195.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","1.54178","CuKα","","0.0454","0.0391","","","0.0986","0.1037","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548166","9.8533","0.0013","25.995","0.003","8.1782","0.001","90","","100.741","0.002","90","","2058","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0739","0.0728","","","0.1645","0.1663","","","","","","1.31","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548167","9.865","0.002","25.934","0.006","8.172","0.002","90","","100.762","0.003","90","","2053.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0428","0.0323","","","0.0847","0.0888","","","","","","0.97","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548168","9.8591","0.0012","26.027","0.003","8.1886","0.001","90","","100.676","0.003","90","","2064.8","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0897","0.0691","","","0.1238","0.1317","","","","","","1.18","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548169","9.801","0.002","27.12","0.005","7.7592","0.0016","90","","101.09","0.03","90","","2023.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.0804","0.0533","","","0.1173","0.1332","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548170","9.915","0.002","26.133","0.005","8.3197","0.0017","90","","101.9","0.03","90","","2109.4","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.1151","0.0579","","","0.1256","0.1578","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548171","9.86","0.004","25.836","0.01","8.226","0.003","90","","102.973","0.01","90","","2042","1.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1006","0.059","","","0.1212","0.1424","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548172","9.871","0.002","26.022","0.006","8.286","0.002","90","","101.902","0.006","90","","2082.6","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1261","0.0599","","","0.1338","0.17","","","","","","1.062","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548173","9.699","0.003","27.857","0.009","7.707","0.002","90","","101.44","0.009","90","","2040.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Co N7 O8 -","- C17 H19 Co N7 O8 -","- C68 H76 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.06","0.0426","","","0.0816","0.0898","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548174","8.037","0.0016","15.043","0.003","18.574","0.004","90.537","0.006","94.769","0.005","92.761","0.004","2235","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Co N7 O9 -","- C18 H23 Co N7 O9 -","- C72 H92 Co4 N28 O36 -","4","2","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0479","0.0406","","","0.0936","0.0983","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548175","11","0.002","16.03","0.003","15.347","0.003","90","","106.744","0.005","90","","2591.4","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Co N7 O8 -","- C22 H29 Co N7 O8 -","- C88 H116 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0906","0.0833","","","0.1951","0.2006","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548176","9.849","0.0011","25.942","0.003","8.161","0.0009","90","","100.764","0.002","90","","2048.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0344","0.0335","","","0.0838","0.0845","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548177","9.8458","0.0015","25.898","0.004","8.1434","0.0014","90","","100.839","0.003","90","","2039.4","0.6","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0319","0.031","","","0.08","0.0808","","","","","","1.062","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548178","9.7984","0.0018","27.41","0.005","7.6404","0.0016","90","","100.082","0.004","90","","2020.3","0.7","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0321","0.0309","","","0.0767","0.0776","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548179","9.7948","0.0018","27.435","0.005","7.5979","0.0015","90","","100.265","0.005","90","","2009","0.7","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0578","0.047","","","0.1466","0.2094","","","","","","1.192","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548180","9.794","0.003","27.475","0.009","7.548","0.003","90","","100.433","0.008","90","","1997.5","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0315","0.0301","","","0.0719","0.0728","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548181","9.796","0.002","27.433","0.006","7.5962","0.0017","90","","100.288","0.005","90","","2008.5","0.8","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0351","0.0328","","","0.081","0.0869","","","","","","1.127","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548182","9.804","0.004","27.417","0.01","7.659","0.003","90","","100.03","0.005","90","","2027.2","1.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0413","0.0321","","","0.0842","0.0873","","","","","","0.972","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548183","9.8515","0.0018","25.892","0.005","8.1511","0.0015","90","","100.82","0.002","90","","2042.2","0.7","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0394","0.0308","","","0.0814","0.0845","","","","","","1.02","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548184","8.197","0.0005","24.7447","0.0018","11.5021","0.001","90","","94.741","0.007","90","","2325","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy P -","- C27 H34 Dy P -","- C108 H136 Dy4 P4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0487","0.0382","","","0.0841","0.0932","","","","","","1.039","","","","has coordinates,has disorder","203520","2020-10-21","18:00:00",""
"1548185","14.8907","0.0006","18.6253","0.0008","23.5996","0.0009","90","","103.258","0.004","90","","6370.8","0.5","150.06","0.14","150.06","0.14","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H83 Dy3 P3 -","- C70 H83 Dy3 P3 -","- C280 H332 Dy12 P12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.066","0.057","","","0.1221","0.1307","","","","","","1.063","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1548186","22.321","0.0005","15.7702","0.0003","27.9921","0.0007","90","","95.319","0.002","90","","9811","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C194 H286 Dy6 Li O17 P6 -","- C194 H286 Dy6 Li6 O17 P6 -","- C388 H572 Dy12 Li12 O34 P12 -","2","0.5","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0592","0.0433","","","0.0997","0.1099","","","","","","1.031","","","","has coordinates,has disorder","203522","2020-10-21","18:00:00",""
"1548187","8.179","0.0006","24.6788","0.0018","11.5031","0.001","90","","94.707","0.006","90","","2314","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 P Y -","- C27 H34 P Y -","- C108 H136 P4 Y4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0971","0.0529","","","0.1082","0.1415","","","","","","1.028","","","","has coordinates,has disorder","203523","2020-10-21","18:00:00",""
"1548188","11.6328","0.0004","25.0914","0.001","21.5705","0.0007","90","","91.002","0.003","90","","6295.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H83 P3 Y3 -","- C70 H83 P3 Y3 -","- C280 H332 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0937","0.057","","","0.1423","0.1604","","","","","","1.039","","","","has coordinates,has disorder","203524","2020-10-21","18:00:00",""
"1548189","22.3184","0.001","15.7523","0.001","27.9702","0.0014","90","","95.358","0.004","90","","9790.4","0.9","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H147 Li3 O9 P3 Y3 -","- C99 H147 Li3 O9 P3 Y3 -","- C396 H588 Li12 O36 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.1366","0.0607","","","0.0881","0.108","","","","","","0.992","","","","has coordinates,has disorder","203525","2020-10-21","18:00:00",""
"1548203","11.8381","0.0009","13.3788","0.001","15.1601","0.0011","91.0206","0.0012","95.2167","0.0012","103.108","0.0012","2327","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Americium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H15 Am N3 O13.5 -","- C21 H12 Am N3 O13.5 -","- C84 H48 Am4 N12 O54 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0494","0.0338","","","0.071","0.0764","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548204","11.8146","0.001","13.3852","0.0012","15.1717","0.0013","90.9375","0.0017","95.3161","0.0017","103.111","0.0017","2324.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Curium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cm N3 O13.3 -","- C21 H12 Cm N3 O13.3 -","- C84 H48 Cm4 N12 O53.2 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0497","0.0306","","","0.0592","0.0645","","","","","","1.018","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548205","11.7542","0.0004","13.4315","0.0005","15.1978","0.0006","91.118","0.0012","95.911","0.0011","103.107","0.0012","2322.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Californium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cf N3 O13 -","- C21 H12 Cf N3 O13 -","- C84 H48 Cf4 N12 O52 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0503","0.0386","","","0.0896","0.0943","","","","","","1.075","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548208","15.088","0.0004","13.2353","0.0003","18.0221","0.0005","90","","94.414","0.002","90","","3588.23","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0662","0.0607","","","0.1447","0.1479","","","","","","1.009","","","","has coordinates,has disorder","203545","2020-10-21","18:00:00",""
"1548209","15.1029","0.0008","13.2535","0.0006","18.033","0.0009","90","","94.44","0.003","90","","3598.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0677","0.0608","","","0.1417","0.1453","","","","","","1.002","","","","has coordinates","203546","2020-10-21","18:00:00",""
"1548210","21.974","0.003","22.685","0.003","24.846","0.002","84.189","0.002","79.598","0.003","69.834","0.003","11425","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H216 Au38 S24 -","- C192 H216 Au38 S24 -","- C384 H432 Au76 S48 -","2","1","","Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin","Structural isomserism in gold nanoparticles revealed by X-ray crystallography","Nature Communications","2015","6","","8667","","10.1038/ncomms9667","","","0.71073","MoKα","","0.0546","0.0349","","","0.0961","0.1064","","","","","","1.045","","","","has coordinates","203547","2020-10-21","18:00:00",""
"1548213","12.4329","0.0002","22.915","0.0004","19.419","0.0005","90","","92.861","0.002","90","","5525.58","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Al2 N6 Te2 -","- C54 H72 Al2 N6 Te2 -","- C216 H288 Al8 N24 Te8 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.1839","0.1777","","","0.4134","0.4164","","","","","","1.059","","","","has coordinates","203598","2020-10-21","18:00:00",""
"1548214","12.2033","0.0004","19.649","0.0007","19.497","0.0006","90","","95.069","0.003","90","","4656.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Al N7 Te -","- C45 H68 Al N7 Te -","- C180 H272 Al4 N28 Te4 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0717","0.0529","","","0.1348","0.1709","","","","","","1.064","","","","has coordinates","203599","2020-10-21","18:00:00",""
"1548215","10.4285","0.0006","12.9619","0.0008","15.2266","0.0007","107.012","0.005","101.576","0.005","104.722","0.005","1817.4","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","1","0.5","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0658","0.0584","","","0.1504","0.1618","","","","","","1.084","","","","has coordinates","203600","2020-10-21","18:00:00",""
"1548216","10.3397","0.0003","15.6399","0.0005","14.9889","0.0004","90","","100.948","0.003","90","","2379.77","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0544","0.0483","","","0.1321","0.1427","","","","","","1.039","","","","has coordinates","203601","2020-10-21","18:00:00",""
"1548217","10.10785","0.00019","17.0515","0.0004","14.7514","0.0003","90","","97.9248","0.0017","90","","2518.18","0.09","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0552","0.0456","","","0.1282","0.1407","","","","","","1.064","","","","has coordinates","203602","2020-10-21","18:00:00",""
"1548218","9.442","0.0003","17.6271","0.0005","14.8977","0.0004","90","","96.085","0.003","90","","2465.53","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0465","0.0434","","","0.1178","0.1203","","","","","","1.052","","","","has coordinates","203603","2020-10-21","18:00:00",""
"1548219","9.7055","0.00015","17.8498","0.0003","14.7845","0.0003","90","","94.7485","0.0015","90","","2552.49","0.08","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.041","0.0374","","","0.0978","0.1012","","","","","","1.043","","","","has coordinates","203604","2020-10-21","18:00:00",""
"1548220","9.727","0.00018","17.0204","0.0003","15.2959","0.0002","90","","96.8477","0.0017","90","","2514.29","0.07","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0351","0.0315","","","0.0798","0.0827","","","","","","1.06","","","","has coordinates","203605","2020-10-21","18:00:00",""
"1548221","9.7904","0.00015","17.366","0.0003","15.2569","0.0002","90","","95.4829","0.0013","90","","2582.11","0.07","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.035","0.032","","","0.0848","0.0877","","","","","","1.046","","","","has coordinates","203606","2020-10-21","18:00:00",""
"1548222","6.2312","0.0005","5.2898","0.0004","16.469","0.0013","90","","96.772","0.004","90","","539.06","0.07","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C18 H24 I2 N2 O6 -","2","1","","Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo","Supramolecular amplification of amyloid self-assembly by iodination","Nature Communications","2015","6","","7574","","10.1038/ncomms8574","","","0.71073","MoKα","","0.0415","0.0368","","","0.0823","0.084","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548223","35.403","0.003","18.9578","0.0014","23.171","0.003","90","","130.29","0.003","90","","11862","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.66667 H31.66667 Cl2 Cu N4 -","- C53.6667 H31.6667 Cl2 Cu N4 -","- C644 H380 Cl24 Cu12 N48 -","12","1.5","","Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen","Modulation of the molecular spintronic properties of adsorbed copper corroles","Nature Communications","2015","6","","7547","","10.1038/ncomms8547","","","0.71073","MoKα","","0.0866","0.0526","","","0.1356","0.1574","","","","","","1.02","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548224","12.6748","0.0003","5.3055","0.0001","13.6447","0.0003","90","","106.479","0.0008","90","","879.86","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","The salt of 3,5-dimethoxybenzoic acid (Fdash) and (1R,2S)-norephedrine (T)","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida","Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically","Nature Communications","2015","6","","8418","","10.1038/ncomms9418","","","0.71073","MoKα","","0.0642","0.0496","","","0.1364","0.1484","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548225","7.6184","0.0003","16.5442","0.0008","18.1572","0.0008","90","","90","","90","","2288.54","0.17","294.9","0.15","294.9","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O2 Si -","- C24 H32 O2 Si -","- C96 H128 O8 Si4 -","4","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0656","0.0489","","","0.1076","0.1184","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548226","7.2978","0.0006","6.7046","0.0003","11.4419","0.0007","90","","90.391","0.005","90","","559.83","0.06","295.4","0.1","295.4","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0629","0.0483","","","0.1335","0.1547","","","","","","0.947","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548227","8.7788","0.001","9.8167","0.0013","10.4098","0.0011","104.353","0.011","109.179","0.01","98.133","0.01","796.13","0.19","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","1.54184","CuKα","","0.05","0.048","","","0.1327","0.135","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548228","15.2428","0.0011","15.4175","0.0016","21.1538","0.0012","90","","90","","90","","4971.3","0.7","298.06","0.14","298.06","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C224 H288 O32 -","16","4","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.1499","0.0655","","","0.126","0.1695","","","","","","0.937","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548229","10.501","0.0016","11.9699","0.0015","11.0318","0.0017","90","","109.896","0.005","90","","1303.9","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Br2 I2 O2 S8 -","- C18 H8 Br1.9996 I1.999 O2 S8 -","- C36 H16 Br3.9992 I3.998 O4 S16 -","2","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0316","","","","0.0237","","","","","","1.143","","","","has coordinates","203614","2020-10-21","18:00:00",""
"1548230","7.008","0.002","7.571","0.002","9.696","0.003","111.669","0.01","108.287","0.007","93.393","0.01","444.9","0.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0365","","","","0.0398","","","","","","0.975","","","","has coordinates","203615","2020-10-21","18:00:00",""
"1548231","8.4688","0.001","8.7721","0.0012","11.6407","0.0016","93.405","0.004","97.351","0.004","91.892","0.005","855.44","0.19","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br3 I O2 S4 -","- C12 H4 Br2.9997 I1.0007 O2 S4 -","- C24 H8 Br5.9994 I2.0014 O4 S8 -","2","1","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0355","","","","0.033","","","","","","1.021","","","","has coordinates","203616","2020-10-21","18:00:00",""
"1548232","7.0535","0.0015","7.6622","0.0017","9.7173","0.0018","111.757","0.013","107.972","0.009","94.14","0.013","453.5","0.17","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0313","","","","0.0336","","","","","","0.951","","","","has coordinates","203617","2020-10-21","18:00:00",""
"1548233","7.0996","0.0014","7.7287","0.0014","9.7508","0.0016","111.648","0.007","107.843","0.007","94.7","0.008","461.74","0.15","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68889","synchrotron","","","0.0377","","","","0.0399","","","","","","0.85","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548234","8.9071","0.0002","39.9588","0.001","13.1061","0.0004","90","","109.226","0.001","90","","4404.5","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H60 N7 O15.7 -","- C36 H60 N7 O15.7 -","- C144 H240 N28 O62.8 -","4","2","","Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit","Formation of functional super-helical assemblies by constrained single heptad repeat","Nature Communications","2015","6","","8615","","10.1038/ncomms9615","","","0.71073","MoKα","","0.0428","0.0419","","","0.1105","0.1113","","","","","","1.074","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548235","12.56","0.03","12.56","0.03","3.944","0.009","90","","90","","120","","539","2","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","1","0.333333","","Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda","Ultrathin inorganic molecular nanowire based on polyoxometalates","Nature Communications","2015","6","","7731","","10.1038/ncomms8731","","","0.78179","Synchrotron","","0.1718","0.0812","","","0.1726","0.2027","","","","","","0.802","","","","has coordinates,has disorder","203620","2020-10-21","18:00:00",""
"1548246","15.99","0.002","28.164","0.004","30.875","0.004","90","","90","","90","","13904","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H140 N4 O12 Si4 -","- C158 H140 N4 O12 Si4 -","- C632 H560 N16 O48 Si16 -","4","1","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.1431","0.1342","","","0.3443","0.352","","","","","","1.125","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548247","12.65","0.005","30.179","0.011","16.608","0.006","90","","111.13","0.007","90","","5914","4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76.5 H58 N2 O6 -","- C76.5 H58 N2 O6 -","- C306 H232 N8 O24 -","4","2","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.163","0.1239","","","0.2942","0.3296","","","","","","1.149","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548248","9.9215","0.0005","11.522","0.0005","17.8122","0.0009","104.475","0.001","93.873","0.001","108.095","0.001","1850.6","0.16","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H51 N -","- C50 H51 N -","- C100 H102 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0464","0.0433","","","0.1189","0.1231","","","","","","1.017","","","","has coordinates","203681","2020-10-21","18:00:00",""
"1548249","11.6888","0.0011","15.2279","0.0014","16.1361","0.0016","94.96","0.003","111.005","0.003","103.447","0.002","2561.8","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H58 Br3 Cl5 N -","- C55 H58 Br3 Cl5 N -","- C110 H116 Br6 Cl10 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0698","0.06","","","0.1471","0.1553","","","","","","1.087","","","","has coordinates,has disorder","203682","2020-10-21","18:00:00",""
"1548250","13.17","0.005","34.623","0.014","36.534","0.014","90","","90","","90","","16659","11","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50.75 H48.5 Cl0.75 N -","- C50.75 H48.5 Cl0.75 N -","- C812 H776 Cl12 N16 -","16","2","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.1835","0.0917","","","0.2105","0.2952","","","","","","1.08","","","","has coordinates","203683","2020-10-21","18:00:00",""
"1548251","13.462","0.014","14.743","0.015","18.096","0.019","98.297","0.017","101.322","0.014","97.33","0.02","3439","6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H47 Cl N O0 -","- C112.5 H47 Cl N -","- C225 H94 Cl2 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.2881","0.1987","","","0.4846","0.5325","","","","","","1.299","","","","has coordinates,has disorder","203684","2020-10-21","18:00:00",""
"1548252","15.4348","0.0012","7.2594","0.0006","24.961","0.002","90","","93.585","0.003","90","","2791.3","0.4","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O5 S2 Si2 -","- C25 H28 O5 S2 Si2 -","- C100 H112 O20 S8 Si8 -","4","1","","Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen","Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments","Nature Communications","2015","6","","10233","","10.1038/ncomms10233","","","0.71073","MoKα","","0.0661","0.0516","","","0.1132","0.1189","","","","","","1.123","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548264","17.9257","0.0003","17.9257","0.0003","28.0627","0.0007","90","","90","","90","","9017.4","0.3","100","0.1","100","0.1","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","","","- C11.5 H7.5 Cu O5.5 -","- C11.5 H6 Cu O5.5 -","- C184 H96 Cu16 O88 -","16","","","Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong","A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions","Nature Communications","2015","6","","7575","","10.1038/ncomms8575","","","1.54184","CuKα","","0.0648","0.0488","","","0.1206","0.1255","","","","","","1.002","","","","has coordinates","203697","2020-10-21","18:00:00",""
"1548265","9.205","0.003","10.74","0.003","13.922","0.004","82.773","0.009","76.229","0.009","74.293","0.009","1284.1","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 B2 Cl2 N2 O2 -","- C25 H29 B2 Cl2 N2 O2 -","- C50 H58 B4 Cl4 N4 O4 -","2","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1317","0.063","","","0.1772","0.2137","","","","","","1.016","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548266","9.3775","0.0015","22.196","0.004","9.432","0.0015","90","","90","","90","","1963.2","0.6","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 B2 N2 O2 -","- C22 H26 B2 N2 O2 -","- C88 H104 B8 N8 O8 -","4","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1309","0.0672","","","0.1783","0.2035","","","","","","0.848","","","","has coordinates,has disorder","203699","2020-10-21","18:00:00",""
"1548267","10.8994","0.001","13.3303","0.0014","14.0182","0.0013","98.334","0.004","90.656","0.004","109.608","0.004","1894.4","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","1","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.171","0.079","","","0.173","0.2145","","","","","","1.017","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548268","11.3572","0.0009","9.8183","0.0008","27.031","0.002","90","","96.547","0.004","90","","2994.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H39.5 B2 N2 O2.75 -","- C34.5 H39.5 B2 N2 O2.75 -","- C138 H158 B8 N8 O11 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1184","0.0689","","","0.1821","0.2237","","","","","","1.007","","","","has coordinates,has disorder","203701","2020-10-21","18:00:00",""
"1548269","13.017","0.0016","6.3932","0.0008","27.756","0.003","90","","99.795","0.004","90","","2276.2","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 B2 Cl N2 O4 -","- C23.5 H27 B2 Cl N2 O4 -","- C94 H108 B8 Cl4 N8 O16 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1746","0.073","","","0.1601","0.2232","","","","","","1.053","","","","has coordinates,has disorder","203702","2020-10-21","18:00:00",""
"1548270","22.535","0.014","5.356","0.003","16.749","0.011","90","","98.687","0.009","90","","1998","2","173.15","","173.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang","Positioning and joining of organic single-crystalline wires","Nature Communications","2015","6","","6737","","10.1038/ncomms7737","","","0.71073","MoKα","","0.0748","0.0676","","","0.1372","0.1411","","","","","","1.239","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548271","30.8314","0.0016","30.8314","0.0016","30.8314","0.0016","90","","90","","90","","29308","3","295","2","300","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H492 B24 F18 Fe42 N240 O60 S6 -","- C450.012 H408 B24 F18 Fe42 N240 O59.904 S6 -","- C900.024 H816 B48 F36 Fe84 N480 O119.808 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6202","synchrotron","","0.1243","0.0722","","","0.2085","0.2391","","","","","","1.034","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"1548272","30.7679","0.0013","30.7679","0.0013","30.7679","0.0013","90","","90","","90","","29127","2","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H548 B24 F18 Fe42 N240 O88 S6 -","- C450 H408 B24 F18 Fe42 N240 O88.024 S6 -","- C900 H816 B48 F36 Fe84 N480 O176.048 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6186","synchrotron","","0.0951","0.0848","","","0.2058","0.2121","","","","","","1.149","","","","has coordinates,has disorder","203705","2020-10-21","18:00:00",""
"1548273","12.1905","0.0011","14.4177","0.0013","20.4894","0.0019","90","","90","","90","","3601.2","0.6","100.33","0.1","100.33","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H5 Cu N5 O4 -","- C9 H5 Cu N5 O4 -","- C72 H40 Cu8 N40 O32 -","8","1","","Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen","Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures","Nature Communications","2015","6","","7328","","10.1038/ncomms8328","","x-ray","1.54184","CuKα","","0.1106","0.0871","","","0.2303","0.2569","","","","","","0.961","","","","has coordinates","203706","2020-10-21","18:00:00",""
"1548274","18.3769","0.0004","16.7983","0.0004","18.7409","0.0005","90","","107.372","0.003","90","","5521.4","0.2","107","4","107","4","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H42 B Cl0.25 F24 Na O9 -","- C48 H42 B F24 Na O9 -","- C192 H168 B4 F96 Na4 O36 -","4","0.5","","Rene-Chris Brachvogel; Frank Hampel; Max von Delius","Self-assembly of dynamic orthoester cryptates","Nature Communications","2015","6","","7129","","10.1038/ncomms8129","","x-ray","1.54184","CuKα","","0.0881","0.0667","","","0.1748","0.1934","","","","","","1.074","","","","has coordinates,has disorder","203707","2020-10-21","18:00:00",""
"1548275","22.2003","0.0019","7.3575","0.0007","15.5257","0.0012","90","","130.588","0.0018","90","","1925.8","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mg2 N2 O10 -","- C18 H20 Mg2 N2 O10 -","- C72 H80 Mg8 N8 O40 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.062","","","","0.227","","","","","","1.139","","","","has coordinates","203708","2020-10-21","18:00:00",""
"1548276","18.2716","0.0009","17.2585","0.0009","13.5539","0.0007","90","","129.666","0.0013","90","","3290.1","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.0556","","","","0.1635","","","","","","1.049","","","","has coordinates","203709","2020-10-21","18:00:00",""
"1548277","21.47","0.03","19.39","0.03","10.099","0.014","90","","119.867","0.016","90","","3646","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Ca2 N5 O13 -","- C39 H31 Ca2 N5 O13 -","- C156 H124 Ca8 N20 O52 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","0.1505","0.0984","","","0.2782","0.3305","","","","","","1.103","","","","has coordinates,has disorder","203710","2020-10-21","18:00:00",""
"1548294","4.6598","0.0001","11.2839","0.0003","12.0321","0.0003","115.307","0.002","97.601","0.002","94.255","0.002","560.85","0.03","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H26 O5 S -","- C27 H26 O5 S -","- C27 H26 O5 S -","1","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.0318","0.0278","","","0.0573","0.0591","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548295","13.673","0.0011","7.849","0.0008","18.491","0.0018","90","","95.18","0.008","90","","1976.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H50 O6 S -","- C48 H50 O6 S -","- C96 H100 O12 S2 -","2","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.1134","0.0626","","","0.1107","0.1377","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548302","10.511","0.0009","20.522","0.0018","35.439","0.003","90","","94.2797","0.0013","90","","7623.1","1.1","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C158 H152 B2 F48 Pd10 -","- C158 H152 B2 F48 Pd10 -","- C316 H304 B4 F96 Pd20 -","2","0.5","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.0447","0.0409","","","0.1","0.1029","","","","","","1.065","","","","has coordinates","203765","2020-10-21","18:00:00",""
"1548303","19.4381","0.0011","21.7533","0.0012","22.0547","0.0013","86.871","0.001","84.951","0.001","66.93","0.001","8544.5","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H146 B2 F48 O2 Pd10 -","- C144 H136 B2 F48 Pd10 -","- C288 H272 B4 F96 Pd20 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1524","0.0878","","","0.2325","0.2673","","","","","","0.878","","","","has coordinates","203766","2020-10-21","18:00:00",""
"1548304","17.1352","0.0006","20.7763","0.0007","23.2367","0.0009","104.581","0.0008","90.8059","0.0008","105.76","0.0007","7674.7","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 -","- C162 H154 B2 F48 Pd5 -","- C324 H308 B4 F96 Pd10 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1315","0.0792","","","0.2145","0.2511","","","","","","1.095","","","","has coordinates","203767","2020-10-21","18:00:00",""
"1548305","17.1345","0.0016","20.7478","0.0018","23.226","0.002","104.412","0.0013","90.6725","0.0015","105.167","0.0015","7692.4","1.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd7 -","- C162 H154 B2 F48 Pd7 -","- C324 H308 B4 F96 Pd14 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1378","0.0853","","","0.2295","0.2676","","","","","","1.103","","","","has coordinates","203768","2020-10-21","18:00:00",""
"1548306","17.0309","0.0012","20.8251","0.0015","23.3934","0.0017","75.2877","0.0014","89.9715","0.0013","74.2761","0.0012","7703.8","1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 Pt3 -","- C162 H154 B2 F48 Pd5 Pt3 -","- C324 H308 B4 F96 Pd10 Pt6 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1904","0.0976","","","0.257","0.3241","","","","","","0.982","","","","has coordinates","203769","2020-10-21","18:00:00",""
"1548307","8.4508","0.0004","41.4961","0.0016","8.07","0.0003","90","","94.122","0.004","90","","2822.6","0.2","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 B F2 N3 P -","- C31 H37 B F2 N3 P -","- C124 H148 B4 F8 N12 P4 -","4","1","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.1133","0.0838","","","0.2054","0.2168","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548308","28.4395","0.0015","18.7648","0.0011","16.3621","0.0009","90","","123.051","0.003","90","","7318.9","0.7","100","2","100.05","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H70 N4 P2 S2 Zn -","- C80 H70 N4 P2 S2 Zn -","- C320 H280 N16 P8 S8 Zn4 -","4","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.0608","0.0541","","","0.1604","0.1661","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548309","15.6349","0.0009","18.4356","0.0012","21.753","0.0015","107.517","0.004","110.288","0.004","96.416","0.004","5442.2","0.7","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","1","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.194","0.1434","","","0.3731","0.4064","","","","","","1.333","","","","has coordinates,has disorder","203772","2020-10-21","18:00:00",""
"1548416","32.5104","0.0005","7.542","0.0001","18.7992","0.0013","90","","123.469","0.009","90","","3845.1","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C152 H240 O40 -","8","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.1209","0.1048","","","0.235","0.2509","","","","","","1.071","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548417","11.4472","0.0004","5.3308","0.0002","28.617","0.002","90","","95.192","0.007","90","","1739.12","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 I N O3 S -","- C15 H20 I N O3 S -","- C60 H80 I4 N4 O12 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.0605","0.0439","","","0.1061","0.1201","","","","","","1.066","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548418","5.9278","0.0001","8.3994","0.0002","31.263","0.002","90","","90","","90","","1556.58","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54178","CuKα","","0.044","0.0423","","","0.1102","0.1119","","","","","","1.103","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548420","8.5127","0.0002","9.9548","0.0002","16.5298","0.0012","85.838","0.006","75.41","0.005","84.304","0.006","1347.26","0.11","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Br2 N O Si -","- C26 H37 Br2 N O Si -","- C52 H74 Br4 N2 O2 Si2 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0881","0.0716","","","0.1961","0.2677","","","","","","1.153","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548421","14.2427","0.001","14.0437","0.0005","13.5442","0.0003","90","","111.769","0.008","90","","2515.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N O Si -","- C26 H39 N O Si -","- C104 H156 N4 O4 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54178","CuKα","","0.0797","0.0575","","","0.163","0.1852","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548422","16.8831","0.0006","7.8642","0.0003","19.9523","0.0007","90","","100.544","0.004","90","","2604.38","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O2 Si -","- C27 H37 N O2 Si -","- C108 H148 N4 O8 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54184","CuKα","","0.0715","0.0633","","","0.1138","0.1176","","","","","","1.01","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548423","10.9419","0.0001","13.4756","0.0002","18.147","0.0012","83.987","0.006","80.786","0.006","68.014","0.005","2446.21","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 N4 O9 Si2 -","- C45 H62 N4 O9 Si2 -","- C90 H124 N8 O18 Si4 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0805","0.0593","","","0.1211","0.1403","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548453","8.81155","0.00006","12.58714","0.00009","8.55975","0.00006","90","","90","","90","","949.381","0.011","","","10","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.378 D5.622 I3 N Pb -","- C4 H1.512 D22.488 I12 N4 Pb4 -","4","0.5","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.71","","","","has coordinates","204239","2020-10-21","18:00:00",""
"1548467","8.79948","0.00006","8.79948","0.00006","12.6882","0.0001","90","","90","","90","","982.458","0.012","","","190","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.384 D5.616 I3 N Pb -","- C4 H1.536 D22.464 I12 N4 Pb4 -","4","0.125","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.52","","","","has coordinates","204284","2020-10-21","18:00:00",""
"1548468","6.30649","0.00003","6.30649","0.00003","6.30649","0.00003","90","","90","","90","","250.821","0.002","","","350","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H0.378 D5.622 I3 N Pb -","- C0.498 H0.192 D2.808 I1.5 N0.498 Pb0.499 -","- C0.996 H0.384 D5.616 I3 N0.996 Pb0.998 -","2","0.0416667","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","1.97","","","","has coordinates","204285","2020-10-21","18:00:00",""
"1548470","13.0627","0.0008","22.7178","0.0012","18.8564","0.0009","90","","107.908","0.0012","90","","5324.6","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 F3 N5 O9 S Si2 -","- C44 H70 F3 N5 O9 S Si2 -","- C176 H280 F12 N20 O36 S4 Si8 -","4","1","","Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino","Total synthesis of palau'amine","Nature Communications","2015","6","","8731","","10.1038/ncomms9731","","","0.71075","MoKα","","","0.0943","","","","0.2443","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548474","9.5905","0.0002","9.5905","0.0002","19.7424","0.0005","90","","90","","90","","1815.86","0.07","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C21 H25 N O3 -","- C21 H24 N O3 -","- C84 H96 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0304","0.0286","","","0.0715","0.0726","","","","","","1.042","","","","has coordinates","204342","2020-10-21","18:00:00",""
"1548475","8.8437","0.0009","13.309","0.0013","16.8901","0.0017","90","","90","","90","","1988","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0605","0.0389","","","0.0911","0.1024","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548476","10.6408","0.0003","17.7283","0.0005","18.1077","0.0005","90","","90","","90","","3415.9","0.17","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C144 H200 N8 O24 -","8","2","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.07","0.0435","","","0.0928","0.1034","","","","","","1.013","","","","has coordinates","204344","2020-10-21","18:00:00",""
"1548477","9.3102","0.0003","9.6848","0.0003","18.5136","0.0006","90","","90","","90","","1669.32","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0351","0.032","","","0.0775","0.0798","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548478","30.107","0.003","5.8007","0.0005","11.5447","0.001","90","","99.634","0.004","90","","1987.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0615","0.0445","","","0.1123","0.1244","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548479","12.8285","0.0006","12.8285","0.0006","18.0935","0.0009","90","","90","","90","","2977.7","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C112 H184 N8 O24 -","8","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0633","0.0386","","","0.0793","0.0883","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548480","5.0728","0.0003","14.5938","0.0007","15.1058","0.0008","83.648","0.003","81.203","0.003","83.714","0.003","1093.47","0.1","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H16 N O3 -","- C10 H16 N O3 -","- C40 H64 N4 O12 -","4","4","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","1.54178","CuKα","","0.0708","0.0664","","","0.2111","0.2158","","","","","","1.112","","","","has coordinates","204348","2020-10-21","18:00:00",""
"1548484","6.613","0.005","25.081","0.019","30.74","0.02","90","","90","","90","","5099","6","293","2","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C49 H36 F6 Mn2 N4 O10 S2 -","- C49 H36 F6 Mn2 N4 O10 S2 -","- C196 H144 F24 Mn8 N16 O40 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.4995","0.3013","","","0.5092","0.6549","","","","","","1.188","","","","has coordinates","204354","2020-10-21","18:00:00",""
"1548485","6.5329","0.0008","26.757","0.004","30.62","0.004","90","","90","","90","","5352.4","1.2","93.15","","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C53 H52 F6 Mn2 N4 O12 S2 -","- C53 H52 F6 Mn2 N4 O12 S2 -","- C212 H208 F24 Mn8 N16 O48 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.1261","0.0745","","","0.0945","0.1158","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548496","8.4096","0.0006","15.0102","0.0012","18.0794","0.0014","90","","90","","90","","2282.2","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C100 H96 N8 O20 S4 -","4","1","","Ming Yang; Jian Li; Ang Li","Total synthesis of clostrubin","Nature Communications","2015","6","","6445","","10.1038/ncomms7445","","x-ray","0.71073","MoKα","","","0.04","","","0.102","","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548555","10.73257","0.00016","23.2562","0.0003","9.76351","0.00017","90","","105.393","0.0017","90","","2349.55","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N5 O5 Zn -","- C22 H27 N5 O5 Zn -","- C88 H108 N20 O20 Zn4 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0409","0.0374","","","0.1059","0.1082","","","","","","1.075","","","","has coordinates","204579","2020-10-21","18:00:00",""
"1548556","10.8546","0.0003","23.6261","0.0007","9.6799","0.0003","90","","104.14","0.003","90","","2407.22","0.13","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cd N5 O5 -","- C22 H27 Cd N5 O5 -","- C88 H108 Cd4 N20 O20 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0607","0.0628","","","","","","1.09","","","","has coordinates","204580","2020-10-21","18:00:00",""
"1548557","15.123","0.005","18.806","0.005","20.722","0.004","90","","90","","90","","5893","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C240 H264 N48 O48 Zn12 -","12","3","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","","1.54184","CuKα","","0.2661","0.1719","","","0.4597","0.5394","","","","","","1.76","","","","has coordinates","204581","2020-10-21","18:00:00",""
"1548558","9.2444","0.001","10.0116","0.0008","14.4659","0.0013","107.371","0.008","91.269","0.008","116.622","0.01","1123.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cd N4 O5 -","- C21 H26 Cd N4 O5 -","- C42 H52 Cd2 N8 O10 -","2","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","1.54184","CuKα","","0.0503","0.0487","","","0.1236","0.1292","","","","","","1.055","","","","has coordinates","204582","2020-10-21","18:00:00",""
"1548561","25.728","0.006","25.728","0.006","6.5313","0.0016","90","","90","","90","","4323.3","1.8","","","140","","","","","","","","","4","I 4","I 4","79","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.054","","","0.12","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548562","7.3863","0.0015","6.6732","0.0013","19.53","0.004","90","","90.68","0.03","90","","962.6","0.3","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","1.54178","CuKα","","","0.034","","","0.088","","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548563","10.6277","0.001","11.3209","0.0011","15.3086","0.0015","70.82","0.002","77.972","0.002","66.025","0.002","1583.5","0.3","","","140","","","","","","","","","6","P 1","P 1","1","","","","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","1","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.04","","","0.134","","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548618","3.018","","3.018","","3.018","","90","","90","","90","","27.489","","1381","","","","9600000","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Al Ti -","- Al Ti -","- Al Ti -","1","0.0208333","","Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi","Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics","Metals","2016","6","7","165","","10.3390/met6070165","","","","","","0","","","0","","","","","0","","","","","","","has coordinates","281933","2023-03-17","18:17:25",""
"1549524","11.0628","0.0005","6.0454","0.0003","9.3526","0.0004","90","","90","","90","","625.49","0.05","293","","293","","","","","","","","synthesised as described","4","P c a 21","P 2c -2ac","29","Diammine nickel nitrate","Diammine nickel(II) nitrate","","- H6 N4 Ni O6 -","- H6 N4 Ni O6 -","- H24 N16 Ni4 O24 -","4","1","","Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H.","Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate","Inorganics","2018","6","","","","","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0335","0.0333","","0.0443","0.0443","","","","2.51","","","","","","","has coordinates","208149","2020-10-21","18:00:00",""
"1549900","4.6987","0.0007","4.6987","0.0007","9.1296","0.0001","90","","90","","90","","201.56","0.04","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","ZnTiTa2O8","","","- O2 Ta0.5 Ti0.25 Zn0.25 -","- O2 Ta0.5 Ti0.25 Zn0.25 -","- O12 Ta3 Ti1.5 Zn1.5 -","6","0.375","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210561","2020-10-21","18:00:00",""
"1549901","4.67138","0.00006","5.65916","0.00007","5.00745","0.00006","90","","90","","90","","132.377","0.003","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","ZnTiNb2O8","","","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb2 O8 Ti Zn -","4","0.5","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210562","2020-10-21","18:00:00",""
"1549902","4.69585","0.00008","4.69585","0.00008","3.0426","0.00006","90","","90","","90","","67.092","0.002","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","MgTiNb2O8","","","- Mg0.25 Nb0.5 O2 Ti0.25 -","- Mg0.5 Nb O4 Ti0.5 -","- Mg0.5 Nb O4 Ti0.5 -","1","0.0625","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210563","2020-10-21","18:00:00",""
"1549903","4.6876","0.0002","4.6876","0.0002","9.1385","0.0003","90","","90","","90","","200.806","0.014","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","MgTiTa2O8","","","- Mg0.25 O2 Ta0.5 Ti0.25 -","- Mg0.25 O2 Ta0.5 Ti0.25 -","- Mg1.5 O12 Ta3 Ti1.5 -","6","0.375","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210564","2020-10-21","18:00:00",""
"1550015","17.533","0.004","17.533","0.004","11.484","0.003","90","","90","","120","","3057.3","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 F6 N4 -","- C16 F6 N4 -","- C144 F54 N36 -","9","0.5","","Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele","Host dependence of the electron affinity of molecular dopants","Materials Horizons","2019","6","1","107","","10.1039/C8MH00921J","","","1.54184","CuKα","","0.0729","0.0585","","","0.1643","0.1808","","","","","","1.062","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550032","13.983","0.0009","16.9424","0.0011","19.1273","0.0011","77.146","0.001","74.236","0.001","75.997","0.002","4171.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","KAZn","","- C34 H13 F28 N4 O Zn -","- C34 H14 F28 N4 O Zn -","- C136 H56 F112 N16 O4 Zn4 -","4","2","","Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M.","Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential","Materials Horizons","2019","6","1","192","","10.1039/C8MH01119B","","","0.71073","MoKα","","0.0553","0.0429","","","0.1208","0.1271","","","","","","1.039","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550287","12.0936","0.0016","12.9722","0.0013","13.334","0.002","90","","97.167","0.014","90","","2075.5","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Situ, Bo; Gao, Meng; He, Xiaojing; Li, Shiwu; He, Bairong; Guo, Fengxia; Kang, Chunmin; Liu, Shan; Yang, Lei; Jiang, Meijuan; Hu, Yanwei; Tang, Ben Zhong; Zheng, Lei","A two-photon AIEgen for simultaneous dual-color imaging of atherosclerotic plaques","Materials Horizons","2019","6","3","546","","10.1039/C8MH01293H","","","0.71073","MoKα","","0.0878","0.0559","","","0.1399","0.1634","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550342","10.8431","0.0006","11.8835","0.0006","14.4823","0.0009","90","","109.361","0.007","90","","1760.57","0.19","150","2","150","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Timi-Cu","","","- C15.5 H17 Cu N3.5 O5.75 -","- C15.5 H16.5 Cu N3.5 O5.75 -","- C62 H66 Cu4 N14 O23 -","4","1","LQ5014","Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong","Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework","IUCrJ","2019","6","1","","","10.1107/S2052252518015749","","","1.5418","CuKα","","0.0984","0.084","","","0.2296","0.2447","","","","","","1.073","","","","has coordinates,has disorder","212515","2020-10-21","18:00:00",""
"1550370","8.2674","0.0002","11.66","0.0004","8.1483","0.0002","90","","90","","90","","785.48","0.04","122","","122","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1189","0.088","","","0.1048","0.1067","","","","6.6","6.6","4.66","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550371","8.2556","0.0002","11.6519","0.0003","8.1508","0.0003","90","","90","","90","","784.05","0.04","106","","106","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1012","0.0836","","","0.0965","0.0982","","","","5.91","5.91","4.79","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550372","8.2702","0.0003","11.6766","0.0004","8.1631","0.0006","90","","90","","90","","788.29","0.07","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1449","0.103","","","0.1293","0.1326","","","","7.08","7.08","5.06","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550373","8.2548","0.0003","11.6547","0.0006","8.1521","0.0003","90","","90","","90","","784.29","0.06","86","","86","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1469","0.1099","","","0.1297","0.1326","","","","7.7","7.7","5.59","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550383","7.5885","0.0007","10.8399","0.0012","11.0776","0.0013","90","","108.788","0.007","90","","862.67","0.16","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 Eu4 F2 O8 -","- Al2 Eu4 F1.99 O8 -","- Al8 Eu16 F7.96 O32 -","4","1","","Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel","Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure","IUCrJ","2019","6","1","128","135","10.1107/S205225251801744X","powder diffraction","","1.54059","CuKα","","","","","","","","","11.8828","5.726","","","","","","","has coordinates","213467","2020-10-21","18:00:00",""
"1550384","7.6188","0.0008","10.8705","0.0012","11.1077","0.0013","90","","108.805","0.008","90","","870.84","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 F2 O8 Sm4 -","- Al2 F1.99 O8 Sm4 -","- Al8 F7.96 O32 Sm16 -","4","1","","Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel","Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure","IUCrJ","2019","6","1","128","135","10.1107/S205225251801744X","powder diffraction","","1.54059","CuKα","","","","","","","","","13.0735","3.7488","","","","","","","has coordinates","213467","2020-10-21","18:00:00",""
"1550437","9.1366","0.0003","14.1095","0.0003","20.9641","0.0007","90","","90.052","0.003","90","","2702.54","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 La N9 O9 -","- C26 H18 La N9 O9 -","- C104 H72 La4 N36 O36 -","4","1","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0337","0.0275","","","0.069","0.0718","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550438","15.0921","0.0016","10.8118","0.0008","19.5232","0.0017","90","","118.32","0.013","90","","2804.4","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Ce N9 O9 -","- C26 H18 Ce N9 O9 -","- C104 H72 Ce4 N36 O36 -","4","0.5","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0708","0.0503","","","0.1067","0.1187","","","","","","1.081","","","","has coordinates,has disorder","225362","2020-10-21","18:00:00",""
"1550439","14.3334","0.0003","5.56223","0.0001","8.53021","0.00019","90","","92.0219","0.0015","90","","679.65","0.02","350","","350","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","trans,trans,anti,trans,trans-Perhydropyrene","(1,2,3,3ar,4,5,5at,6,7,8,8at,9,10,10ac,10bt,10cc)-hexadecahydropyrene","","- C16 H26 -","- C16 H26 -","- C32 H52 -","2","0.5","","van de Streek, Jacco; Alig, Edith; Parsons, Simon; Vella-Zarb, Liana","A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data","IUCrJ","2019","6","1","136","144","10.1107/S205225251801686X","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.798495","1.04883","","","","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550440","7.2588","0.0003","8.9399","0.0004","22.7927","0.0009","90","","95.818","0.004","90","","1471.47","0.11","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C42 H90 Cl6 N12 O6 -","6","3","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0735","0.0517","","0.1277","0.1171","0.1277","","","","","","0.9968","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550441","13.4725","0.0002","9.8551","0.0001","32.7259","0.0004","90","","90","","90","","4345.11","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C112 H240 I16 N32 O16 -","16","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0529","0.0492","","0.1128","0.1105","0.1128","","","","","","1.0124","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550442","7.2902","0.0002","8.9099","0.0003","7.8789","0.0003","90","","107.024","0.003","90","","489.35","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C14 H30 Cl2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0358","0.0318","","0.0814","0.0785","0.0814","","","","","","0.9528","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550443","7.5269","0.0002","9.1017","0.0003","7.93","0.0003","90","","107.161","0.004","90","","519.08","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Br N2 O -","- C7 H15 Br N2 O -","- C14 H30 Br2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0338","0.0293","","0.072","0.0703","0.072","","","","","","0.9715","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550444","7.585","0.0001","10.8242","0.0002","13.0468","0.0003","90","","90","","90","","1071.16","0.03","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C28 H60 I4 N8 O4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0138","0.0133","","0.0296","0.0294","0.0296","","","","","","0.9879","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550445","9.4006","0.0001","13.2619","0.0002","16.6581","0.0002","90","","90","","90","","2076.76","0.05","160","","160","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B Cl F4 N4 O2 -","- C14 H30 B Cl F4 N4 O2 -","- C56 H120 B4 Cl4 F16 N16 O8 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0349","0.0329","","0.0903","0.0888","0.0903","","","","","","0.996","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550446","6.106","0.0003","9.0317","0.0006","42.33","0.004","90","","90","","90","","2334.4","0.3","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br N2 O4 S -","- C22 H27 Br N2 O4 S -","- C88 H108 Br4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0768","0.0669","","0.0915","0.0899","0.0915","","","","","","1.0929","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550447","6.2219","0.0001","9.0228","0.0001","43.0569","0.0005","90","","90","","90","","2417.17","0.05","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 I N2 O4 S -","- C22 H27 I N2 O4 S -","- C88 H108 I4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0209","0.0206","","0.0525","0.0524","0.0525","","","","","","0.9845","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550448","6.3765","0.0001","8.8174","0.0001","42.942","0.0007","90","","90","","90","","2414.38","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O7 S -","- C22 H27 N3 O7 S -","- C88 H108 N12 O28 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0417","0.0389","","0.0928","0.0913","0.0928","","","","","","0.9931","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550449","8.7929","0.0001","12.6645","0.0001","23.7867","0.0002","82.3345","0.0007","81.4117","0.0007","89.9824","0.0007","2595.2","0.04","160","","160","","","","","","","","","6","P 1","P 1","1","","","","- C22 H32 N2 O9.5 P S -","- C22 H32 N2 O9.5 P S -","- C88 H128 N8 O38 P4 S4 -","4","4","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0519","0.0488","","0.1283","0.1259","0.1283","","","","","","0.9968","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550450","11.47377","0.00011","6.14747","0.00005","11.71348","0.00012","90","","111.978","0.0011","90","","766.164","0.014","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C30 H48 N4 O10 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0655","0.0656","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550451","12.6065","0.0003","13.0726","0.0003","12.6694","0.0003","90","","106.397","0.003","90","","2003","0.09","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N6 O4 -","- C19 H23 Cl N6 O4 -","- C76 H92 Cl4 N24 O16 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","0.71073","MoKα","","0.0429","0.0357","","","0.1017","0.1059","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550452","12.1482","0.0002","13.1848","0.0002","13.8251","0.00017","90.263","0.0012","90.218","0.0012","108.005","0.0015","2105.9","0.06","159.99","0.1","159.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl N6 O S -","- C20 H23 Cl N6 O S -","- C80 H92 Cl4 N24 O4 S4 -","4","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0599","0.0574","","","0.1344","0.1358","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550453","12.46473","0.00013","12.98315","0.00016","13.42014","0.00013","90","","106.765","0.0011","90","","2079.49","0.04","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B Cl F4 N5 O -","- C19 H23 B Cl F4 N5 O -","- C76 H92 B4 Cl4 F16 N20 O4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0423","0.0415","","","0.1039","0.1042","","","","","","1.164","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550454","5.72587","0.00004","20.83882","0.0001","6.92054","0.00004","90","","98.3547","0.0005","90","","816.998","0.008","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0611","0.0611","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550455","5.8213","0.00007","7.27088","0.00008","15.90214","0.00013","94.7215","0.0008","96.6693","0.0008","109.525","0.0011","624.781","0.012","159.99","0.1","159.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","1","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0275","0.027","","","0.0733","0.0735","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550456","6.07189","0.00012","32.9414","0.0004","7.1383","0.0001","90","","114.168","0.002","90","","1302.63","0.04","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N2 O9 -","- C24 H38 N2 O9 -","- C48 H76 N4 O18 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0429","0.0422","","","0.111","0.1114","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550457","6.0401","0.0003","29.3553","0.0008","7.3828","0.0003","90","","112.806","0.005","90","","1206.7","0.1","159.99","0.1","160.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0787","0.0676","","","0.1823","0.1902","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550520","14.0525","0.0003","7.8134","0.0001","12.8242","0.0002","90","","91.848","0.002","90","","1407.34","0.04","129.9","0.1","129.9","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate monohydrate","'2-(4-hydroxyphenyl)ethanaminium [(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]oxidanide hydrate'","","- C12 H16 N4 O6 -","- C12 H16 N4 O6 -","- C48 H64 N16 O24 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","","0.71073","MoKα","","0.0581","0.04","","","0.0888","0.0989","","","","","","1.052","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550521","6.8711","0.0013","15.119","0.002","11.884","0.002","90","","91.858","0.016","90","","1233.9","0.4","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate","'2-(4-hydroxyphenyl)ethanaminium [(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]oxidanide'","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","","0.71073","MoKα","","0.1865","0.0673","","","0.1472","0.1774","","","","","","0.875","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550522","13.2706","0.0012","7.651","0.0003","13.1269","0.0009","90","","102.097","0.008","90","","1303.22","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","x-ray","1.54184","CuKα","","0.124","0.0807","","","0.2102","0.2533","","","","","","1.052","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550727","10.9667","0.0005","12.303","0.0005","20.3131","0.0012","90","","90","","90","","2740.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","1","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","0.71073","MoKα","","0.0663","0.0391","","","0.0884","0.102","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550728","15.1171","0.0003","10.6355","0.0003","39.0096","0.0009","90","","94.405","0.002","90","","6253.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C288 H192 N16 O16 S8 -","8","2","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","1.54178","CuKα","","0.1469","0.1248","","","0.3187","0.3354","","","","","","1.273","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550729","7.3501","0.0009","13.554","0.002","13.9104","0.0019","79.271","0.004","89.105","0.004","89.582","0.004","1361.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H8 O45 Sm4 -","- C40 H8 O45 Sm4 -","- C40 H8 O45 Sm4 -","1","0.5","","Lee, Li-Wei; Pao, Szu-Ying; Pathak, Abhishek; Kang, Dun-Yen; Lu, Kuang-Lieh","Membrane adsorber containing a new Sm(iii)‒organic framework for dye removal","Environmental Science: Nano","2019","6","4","1067","","10.1039/C9EN00018F","","","0.71073","MoKα","","0.1224","0.1071","","","0.2866","0.2969","","","","","","1.164","","","","has coordinates,has disorder","225368","2020-10-21","18:00:00",""
"1550807","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.077","0.043","","","0.095","0.115","","","","","","1.046","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550808","16.718","0.004","4.726","0.001","19.164","0.004","90","","95.969","0.007","90","","1505.9","0.6","287","2","287.12","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DCNPhCz","5-(9H-carbazol-9-yl)isophthalonitrile","","- C20 H11 N3 -","- C20 H11 N3 -","- C80 H44 N12 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.1982","0.0835","","","0.1315","0.171","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550809","10.231","0.003","16.032","0.004","8.461","0.002","90","","93.9","0.006","90","","1384.6","0.6","100","2","100.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mPhCzN","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0996","0.0602","","","0.1347","0.1576","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550810","41.374","0.007","3.9588","0.0007","17.309","0.003","90","","111.876","0.004","90","","2630.9","0.8","100","2","99.99","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MCNPhCz","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0715","0.0527","","","0.1353","0.1474","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550811","14.753","0.003","24.611","0.004","8.0508","0.0013","90","","90","","90","","2923.1","0.9","294","2","294.54","","","","","","","","","3","I b a 2","I 2 -2c","45","scnphcz","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.099","0.0612","","","0.1327","0.1511","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551103","9.6559","0.0002","29.8416","0.0006","30.1248","0.0007","90","","98.54","0.001","90","","8584.1","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C256 H608 N32 O96 -","32","16","LQ5021","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","1.54178","CuKα","","0.0641","0.0482","","","0.1206","0.1344","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551104","9.566","0.007","7.44","0.006","15.911","0.012","90","","101.54","0.03","90","","1109.5","1.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C32 H76 N4 O12 -","4","1","","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","0.71073","MoKα","","0.079","0.0586","","","0.1313","0.141","","","","","","1.063","","","","has coordinates","215440","2020-10-21","18:00:00",""
"1551202","9.8763","0.0006","13.0177","0.0009","10.6775","0.0007","90","","100.843","0.0019","90","","1348.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Magnesium isonicotinate","'Magnesium 4-pyridine carboxylate'","","- C27 H23 Mg2 N5 O9 -","- C27 H23 Mg2 N5 O9 -","- C54 H46 Mg4 N10 O18 -","2","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.0514","0.0502","","","0.1362","0.138","","","","","","1.044","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551203","11.4487","0.0008","12.36","0.0008","12.3919","0.0008","90","","117.201","0.003","90","","1559.6","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper Pyridine carboxylate","'Copper Pyridine carboxylate'","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C64 H64 Cu4 N8 O20 -","4","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.1293","0.0757","","","0.1785","0.2193","","","","","","0.97","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551373","19.3322","0.0008","19.3322","0.0008","28.9191","0.0013","90","","90","","120","","9360","0.7","100","2","100","","","","","","","","","4","R 3 :H","R 3","146","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C168 H88 N26 O18 -","- C168.001 H88.0008 N26.0004 O18 -","- C504.004 H264.002 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","0.71073","MoKα","","0.0641","0.0563","","","0.1491","0.1568","","","","","","1.034","","","","has coordinates,has disorder","215891","2020-10-21","18:00:00",""
"1551374","19.3695","0.0004","19.3695","0.0004","28.9712","0.001","90","","90","","120","","9413.1","0.4","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.1237","0.0924","","","0.2541","0.2862","","","","","","1.046","","","","has coordinates,has disorder","215892","2020-10-21","18:00:00",""
"1551375","19.4976","0.0006","19.4976","0.0006","29.0508","0.0016","90","","90","","120","","9564.3","0.7","99.99","","99.99","","","","","","","","","4","R 3 :H","R 3","146","","poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)","","- C168 H88 N26 O18 -","- C168.001 H88.0158 N26.0004 O18 -","- C504.004 H264.047 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1256","0.0987","","","0.2715","0.3055","","","","","","1.165","","","","has coordinates,has disorder","215893","2020-10-21","18:00:00",""
"1551376","19.5973","0.0005","19.5973","0.0005","27.8613","0.001","90","","90","","120","","9266.7","0.5","100","2","100","","","","","","","","","4","P 31","P 31","144","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C162 H84 N24 O18 -","- C162 H84 N24 O18 -","- C486 H252 N72 O54 -","3","1","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1279","0.1104","","","0.2835","0.3059","","","","","","1.206","","","","has coordinates,has disorder","215894","2020-10-21","18:00:00",""
"1551377","19.4393","0.0005","19.4393","0.0005","28.547","0.002","90","","90","","120","","9342.3","0.7","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.2333","0.1195","","","0.3079","0.3914","","","","","","1.107","","","","has coordinates,has disorder","215895","2020-10-21","18:00:00",""
"1551400","14.37","0.002","15.135","0.002","19.376","0.003","76.883","0.002","70.416","0.002","65.366","0.002","3590.2","0.9","167","2","167","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 B Cl4 F24 N3 P S2 -","- C68 H53 B Cl4 F24 N3 P S2 -","- C136 H106 B2 Cl8 F48 N6 P2 S4 -","2","1","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","0.71073","MoKα","","0.1075","0.0746","","","0.2062","0.2315","","","","","","1.046","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551401","12.005","0.0006","12.2783","0.0006","14.5779","0.0007","67.081","0.002","73.258","0.002","88.706","0.002","1885.47","0.16","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H76 Cl12 N6 O2 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","1","0.5","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","1.54178","CuKα","","0.0315","0.03","","","0.0805","0.0816","","","","","","1.047","","","","has coordinates,has disorder","215931","2020-10-21","18:00:00",""
"1551402","35.1918","0.0018","47.1545","0.0018","33.4757","0.001","90","","90","","90","","55551","4","200","2","100","2","","","","","","","synthesis as described","8","P b a m","-P 2 2ab","55","","","","- C448 H415 B7 F6 Fe6 N40 O15 P -","- C508.94 H401 B7.67 F6 Fe6 N40 O15 P -","- C2035.76 H1604 B30.68 F24 Fe24 N160 O60 P4 -","4","0.5","","David A. Leigh; Robin G. Pritchard; Alexander J. Stephens","A Star of David catenane","Nature Chemistry","2013","6","","978","982","10.1038/nchem.2056","","x-ray","0.6889","synchrotron","","0.2373","0.1727","","","0.3425","0.3685","","","","","","1.586","","","","has coordinates,has disorder","215932","2020-10-21","18:00:00",""
"1551412","8.949","0.0005","15.4457","0.0007","19.2674","0.0008","90","","90","","90","","2663.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","LQ5022","Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J.","Radiation damage in small-molecule crystallography: fact not fiction","IUCrJ","2019","6","4","","","10.1107/S2052252519006948","","x-ray","0.71073","MoKα","K-L~3~","0.1363","0.0709","","","0.1173","0.1383","","","","","","1.013","","","","has coordinates,has disorder","215950","2020-10-21","18:00:00",""
"1551450","9.5942","0.0014","27.26","0.004","12.3336","0.0018","90","","103.662","0.004","90","","3134.4","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0582","0.0461","","","0.1225","0.1314","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551451","9.4146","0.0016","10.2146","0.0018","10.8759","0.0019","86.298","0.003","79.729","0.003","65.456","0.003","936.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","1","0.5","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0889","0.0492","","","0.1023","0.1177","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551452","14.8532","0.0014","17.3921","0.0015","7.2295","0.0007","90","","90.676","0.002","90","","1867.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0628","0.0453","","","0.1199","0.1301","","","","","","1.046","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551479","14.2786","0.0006","20.4647","0.0009","20.6937","0.0009","60.5","0.001","72.537","0.001","85.477","0.001","5003","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C176 H56 F48 -","4","2","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.0863","0.0587","","","0.167","0.1776","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551480","14.115","0.004","19.247","0.005","19.52","0.005","64.137","0.004","72.069","0.004","84.957","0.004","4533","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.2101","0.1037","","","0.2428","0.2737","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551481","14.237","0.002","17.662","0.003","18.188","0.003","70.106","0.002","75.162","0.003","84.727","0.003","4157.1","1.1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1675","0.0929","","","0.2547","0.2923","","","","","","1.035","","","","has coordinates","216053","2020-10-21","18:00:00",""
"1551482","9.014","0.002","14.577","0.003","15.651","0.004","94.34","0.003","93.101","0.004","96.984","0.004","2031.2","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C88 H28 F24 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1629","0.0882","","","0.2433","0.2789","","","","","","1.012","","","","has coordinates","216054","2020-10-21","18:00:00",""
"1551488","19.934","0.004","10.691","0.002","29.55","0.007","90","","101.58","0.003","90","","6169","2","123","2","123","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C57 H33 F10 N6 O3 -","- C57 H33 F10 N6 O3 -","- C228 H132 F40 N24 O12 -","4","1","","Jackson D. Megiatto Jr; Dalvin D. Mendez-Hernandez; Marely E. Tejeda-Ferrari; Anne-Lucie Teillout; Manuel J. Llansola-Portoles; Gerdenis Kodis; Oleg G. Poluektov; Tijana Rajh; Vladimiro Mujica; Thomas L. Groy; Devens Gust; Thomas A. Moore; Ana L. Moore","A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II","Nature Chemistry","2014","6","","423","428","10.1038/nchem.1862","","","0.71073","MoKα","","0.1501","0.0774","","","0.1946","0.2276","","","","","","0.978","","","","has coordinates","216060","2020-10-21","18:00:00",""
"1551490","17.444","0.003","10.8686","0.0019","12.1775","0.0019","90","","92.014","0.006","90","","2307.3","0.7","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C128 H112 O8 -","4","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0575","0.0523","","","0.0968","0.0984","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551491","9.8337","0.0002","11.6263","0.0003","35.5613","0.0008","90","","90","","90","","4065.71","0.16","100","2","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H20 -","- C30 H20 -","- C240 H160 -","8","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0488","0.0486","","","0.1279","0.1281","","","","","","1.102","","","","has coordinates","216063","2020-10-21","18:00:00",""
"1551506","9.0184","0.0008","13.0497","0.0011","13.4511","0.0012","70.619","0.009","71.953","0.008","71.335","0.009","1377.6","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O4 Zn -","- C32 H96 N24 O16 Zn4 -","4","2","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0923","0.0881","","","0.2348","0.2385","","","","","","0.902","","","","has coordinates","216109","2020-10-21","18:00:00",""
"1551507","8.9542","0.0016","8.9542","0.0016","10.433","0.0019","90","","90","","120","","724.4","0.2","288","2","288","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O3.9996 Zn -","- C16 H48 N12 O7.9992 Zn2 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0429","0.0425","","","0.1263","0.1269","","","","","","1.217","","","","has coordinates","216110","2020-10-21","18:00:00",""
"1551508","9.257","0.002","14.963","0.003","9.967","0.002","90","","94.028","0.005","90","","1377.1","0.5","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H23.5 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0486","0.0466","","","0.1328","0.137","","","","","","1.14","","","","has coordinates","216111","2020-10-21","18:00:00",""
"1551509","8.866","0.003","8.866","0.003","10.486","0.003","90","","90","","120","","713.8","0.4","263","2","263","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71073","MoKα","","0.0656","0.0652","","","0.1495","0.1506","","","","","","1.365","","","","has coordinates,has disorder","216112","2020-10-21","18:00:00",""
"1551510","9.272","0.002","14.975","0.003","9.964","0.002","90","","93.966","0.005","90","","1380.2","0.5","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0528","0.0505","","","0.1524","0.1565","","","","","","1.243","","","","has coordinates","216113","2020-10-21","18:00:00",""
"1551511","8.875","0.003","8.875","0.003","10.488","0.003","90","","90","","120","","715.4","0.4","283","2","283","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0557","0.0555","","","0.1776","0.1779","","","","","","1.654","","","","has coordinates","216114","2020-10-21","18:00:00",""
"1551512","9.283","0.012","14.938","0.019","9.972","0.012","90","","93.88","0.03","90","","1380","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O4 -","- C32 H48 D48 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.1391","0.0846","","","0.1975","0.2279","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551513","8.882","0.009","8.882","0.009","10.504","0.01","90","","90","","120","","717.6","1.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O3.9996 -","- C16 H24 D24 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0384","0.031","","","0.0688","0.0733","","","","","","1.017","","","","has coordinates","216116","2020-10-21","18:00:00",""
"1551836","10.778","0.0015","16.187","0.002","10.773","0.0014","90","","103.801","0.005","90","","1825.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Cl Cs N7 O2 -","- C39 H47 Cl Cs N7 O2 -","- C78 H94 Cl2 Cs2 N14 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0529","0.041","","","0.0797","0.0837","","","","","","1.028","","","","has coordinates","216457","2020-10-21","18:00:00",""
"1551837","10.6334","0.0012","20.29","0.002","21.869","0.003","66.724","0.003","81.164","0.003","88.956","0.003","4278.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H122 Cl2 N15 Na O9 -","- C85 H117 Cl2 N15 Na O9 -","- C170 H234 Cl4 N30 Na2 O18 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.37","0.1668","","","0.313","0.4299","","","","","","1.064","","","","has coordinates","216458","2020-10-21","18:00:00",""
"1551838","21.179","0.0014","9.0172","0.0006","20.4471","0.0013","90","","94.011","0.002","90","","3895.3","0.4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H51 Cl Cs N7 O2 -","- C41 H51 Cl Cs N7 O2 -","- C164 H204 Cl4 Cs4 N28 O8 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0323","0.0303","","","0.0687","0.0694","","","","","","1.207","","","","has coordinates","216459","2020-10-21","18:00:00",""
"1551839","33.279","0.005","18.277","0.004","31.785","0.005","90","","108.793","0.009","90","","18302","6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H138 Cl2 N15 Na O9 -","- C86 H114 Cl2 N15 Na O9 -","- C688 H912 Cl16 N120 Na8 O72 -","8","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.1421","0.0722","","","0.1931","0.2621","","","","","","0.978","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1551840","10.466","0.0003","11.298","0.0004","20.076","0.0005","90","","104.461","0.002","90","","2298.67","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H71 Cl N8 O2 -","- C49 H71 Cl N8 O2 -","- C98 H142 Cl2 N16 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.197","0.0989","","","0.1795","0.2217","","","","","","1.266","","","","has coordinates,has disorder","216461","2020-10-21","18:00:00",""
"1551841","12.8727","0.0009","9.6907","0.0006","30.04","0.002","90","","94.735","0.002","90","","3734.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 N7 O4 -","- C41 H55 N7 O4 -","- C164 H220 N28 O16 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71074","MoKα","","0.1715","0.0715","","","0.12","0.1545","","","","","","1.066","","","","has coordinates","216462","2020-10-21","18:00:00",""
"1551842","12.6815","0.0002","9.7814","0.0002","29.9349","0.0009","90","","94.805","0.002","90","","3700.16","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 N5 O6 -","- C41 H53 N5 O6 -","- C164 H212 N20 O24 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.0902","0.0478","","","0.1049","0.121","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551843","8.8644","0.0006","10.8121","0.0007","18.0451","0.0012","84.427","0.004","84.854","0.004","70.356","0.004","1618.13","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 B F19 Si -","- C32 H16 B F19 Si -","- C64 H32 B2 F38 Si2 -","2","1","","Adrian Y. Houghton; Juha Hurmalainen; Akseli Mansikkamaki; Warren E. Piers; Heikki M. Tuononen","Direct observation of a borane-silane complex involved in frustrated Lewis-pair-mediated hydrosilylations","Nature Chemistry","2014","6","","983","988","10.1038/nchem.2063","","","1.54178","CuKα","","0.0463","0.0413","","","0.1152","0.1204","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551848","16.1901","0.0018","10.01","0.0011","21.24","0.003","90","","101.822","0.001","90","","3369.2","0.7","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B12 Cl11 -","- C19 H23 B12 Cl11 -","- C76 H92 B48 Cl44 -","4","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0249","","","","0.0623","","","","","","1.026","","","","has coordinates","216469","2020-10-21","18:00:00",""
"1551849","15.995","0.003","15.995","0.003","7.7772","0.0012","90","","90","","90","","1989.7","0.6","90","","90","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C42 H22 B2 F20 -","- C42 H22 B2 F20 -","- C84 H44 B4 F40 -","2","0.25","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.024","","","","0.0638","","","","","","1.068","","","","has coordinates","216470","2020-10-21","18:00:00",""
"1551850","9.2943","0.0013","10.468","0.0014","14.361","0.002","94.572","0.0016","95.238","0.0018","103.789","0.0015","1343.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B11 Cl11 O -","- C11 H12 B11 Cl11 O -","- C22 H24 B22 Cl22 O2 -","2","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0289","","","","0.0761","","","","","","1.052","","","","has coordinates","216471","2020-10-21","18:00:00",""
"1551854","14.5182","0.0015","8.2844","0.0012","17.8349","0.0018","90","","93.899","0.009","90","","2140.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CEL2HP","","","- C22 H19 F3 N4 O3 S -","- C22 H19 F3 N4 O3 S -","- C88 H76 F12 N16 O12 S4 -","4","1","LQ5020","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0968","0.0494","","","0.0891","0.1082","","","","","","0.987","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551855","10.0694","0.0008","10.6113","0.001","12.6499","0.0014","113.451","0.01","100.897","0.008","101.744","0.007","1157.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","CELMeHP","","","- C23 H21 F3 N4 O3 S -","- C23 H21 F3 N4 O3 S -","- C46 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.103","0.0675","","","0.178","0.2048","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551856","7.4563","0.0009","13.01","0.0015","13.7231","0.0016","100.17","0.002","95.715","0.002","104.444","0.002","1254.4","0.3","298","2","298","","","","","","","","","6","P -1","-P 1","2","CELMeTFHP","","","- C24 H20 F6 N4 O3 S -","- C24 H20 F6 N4 O3 S -","- C48 H40 F12 N8 O6 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0624","0.0527","","","0.1321","0.1381","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551857","7.6112","0.0009","11.3462","0.0014","15.1063","0.0018","105.897","0.002","102.702","0.002","101.93","0.002","1173.4","0.2","298","2","298","","","","","","","","","6","P -1","-P 1","2","CELOMeHP","","","- C23 H21 F3 N4 O4 S -","- C23 H21 F3 N4 O4 S -","- C46 H42 F6 N8 O8 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0694","0.0614","","","0.1668","0.1735","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551858","23.819","0.003","8.4372","0.0005","23.45","0.002","90","","123.868","0.016","90","","3913","1","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FUROS2PY","","","- C17 H21 Cl N3 O6.5 S -","- C17 H21.5 Cl N3 O6.5 S -","- C136 H172 Cl8 N24 O52 S8 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0726","0.0596","","","0.1601","0.1718","","","","","","1.058","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551859","8.5442","0.0006","11.3615","0.0008","12.1409","0.0008","63.447","0.001","88.724","0.001","75.712","0.001","1016.37","0.12","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","FUROSCPR","","","- C18 H22 Cl N3 O6 S -","- C18 H22 Cl N3 O6 S -","- C36 H44 Cl2 N6 O12 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0601","0.0543","","","0.1514","0.1566","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551860","11.116","0.005","8.447","0.002","21.388","0.007","90","","93.12","0.03","90","","2005.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FUROSVLM","","","- C17 H22 Cl N3 O7 S -","- C17 H22 Cl N3 O7 S -","- C68 H88 Cl4 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.1472","0.065","","","0.0875","0.1141","","","","","","0.987","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551861","6.8039","0.0005","13.5399","0.0008","18.8949","0.0013","90","","113.113","0.009","90","","1601","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCT2HPFORMI","","","- C12 H13 Cl N4 O5 S2 -","- C12 H13 Cl N4 O5 S2 -","- C48 H52 Cl4 N16 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","1.54184","CuKα","","0.079","0.0717","","","0.1946","0.1991","","","","","","1.155","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551862","29.442","0.004","7.3421","0.0009","7.0867","0.0007","90","","90","","90","","1531.9","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","HCTHPFORMII","","","- C12 H13 Cl N4 O5 S2 -","- C12 H13 Cl N4 O5 S2 -","- C48 H52 Cl4 N16 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.1302","0.0805","","","0.1161","0.1278","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551863","8.693","0.0006","10.6472","0.0007","12.8556","0.0009","113.672","0.001","98.9","0.001","95.358","0.001","1060.61","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","HCTVLM12","","","- C17 H26 Cl N5 O6 S2 -","- C17 H26 Cl N5 O6 S2 -","- C34 H52 Cl2 N10 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0322","0.0313","","","0.0813","0.0821","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551864","11.8873","0.0012","19.315","0.002","21.733","0.002","90","","90","","90","","4990","0.9","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","HCTCPR12","","","- C19 H30 Cl N5 O6 S2 -","- C19 H30 Cl N5 O6 S2 -","- C152 H240 Cl8 N40 O48 S16 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0405","0.0359","","","0.0971","0.1016","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551873","21.7258","0.002","13.1123","0.0011","17.0196","0.0015","90","","90","","90","","4848.5","0.7","150","2","150","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","(NH4)2[Mo6Br8(NCS)6].4(C3H6O)","","- C18 H32 Br8 Mo6 N8 O4 S6 -","- C18 H24 Br8 Mo6 N8 O4 S6 -","- C72 H96 Br32 Mo24 N32 O16 S24 -","4","0.5","","Kepenekian, Mikaël; Molard, Yann; Costuas, Karine; Lemoine, Pierric; Gautier, Régis; Ababou Girard, Soraya; Fabre, Bruno; Turban, Pascal; Cordier, Stéphane","Red-NIR luminescence of Mo6 monolayered assembly directly anchored on Au(001)","Materials Horizons","2019","6","9","1828","","10.1039/C9MH00724E","","x-ray","0.71073","MoKα","","0.1769","0.1073","","","0.2389","0.2757","","","","","","1.117","","","","has coordinates","225366","2020-10-21","18:00:00",""
"1551927","16.9293","0.001","18.4694","0.0007","28.346","0.002","90","","100.629","0.006","90","","8711","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H66 Mn3 N12 O16 -","- C75 H66 Mn3 N12 O16 -","- C300 H264 Mn12 N48 O64 -","4","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1889","0.1272","","","0.2276","0.2533","","","","","","1.186","","","","has coordinates","216656","2020-10-21","18:00:00",""
"1551928","12.236","0.002","33.628","0.007","51.707","0.01","90","","94.19","0.03","90","","21219","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C600 H528 Cl16 Co8 Mn24 N96 O96 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.1105","0.0776","","","0.2017","0.2181","","","","","","1.053","","","","has coordinates,has disorder","216657","2020-10-21","18:00:00",""
"1551929","12.352","0.003","33.725","0.007","13.03","0.003","90","","96.63","0.03","90","","5392","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C158 H132 Cl4 Mn6 N24 O32 Rh4 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.083","0.0749","","","0.2245","0.2321","","","","","","1.036","","","","has coordinates,has disorder","216658","2020-10-21","18:00:00",""
"1551930","12.359","0.003","33.229","0.007","12.887","0.003","90","","96.42","0.03","90","","5259","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl3 Mn3 N12 O16 Rh -","- C75 H66 Mn3 N12 O16 Rh -","- C150 H132 Mn6 N24 O32 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.0946","0.075","","","0.2182","0.2331","","","","","","1.068","","","","has coordinates,has disorder","216659","2020-10-21","18:00:00",""
"1551931","12.3582","0.0005","33.9509","0.0015","12.9507","0.0006","90","","99.89","0.004","90","","5353","0.4","105","8","105","8","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C80 H72 Cl0 I2 Mn3 N13 O14 Rh -","- C80 H72 I1.5 Mn3 N13 O14 Rh -","- C160 H144 I3 Mn6 N26 O28 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","MoKα","","0.1706","0.1076","","","0.2892","0.3271","","","","","","1.001","","","","has coordinates,has disorder","216660","2020-10-21","18:00:00",""
"1551932","12.289","0.003","32.302","0.007","25.974","0.005","90","","93.57","0.03","90","","10291","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 Mn3 N12 O12 -","- C75 H66 Mn3 N12 O12 -","- C300 H264 Mn12 N48 O48 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.077","0.0565","","","0.1608","0.1704","","","","","","1.07","","","","has coordinates,has disorder","216661","2020-10-21","18:00:00",""
"1551933","12.3989","0.0012","33.418","0.003","12.9445","0.0016","90","","98.312","0.011","90","","5307.2","1","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C150 H132 Cl4 Co2 Mn6 N24 O32 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1277","0.0928","","","0.2256","0.2419","","","","","","1.066","","","","has coordinates","216662","2020-10-21","18:00:00",""
"1551973","14.3169","0.0003","52.6236","0.001","19.6942","0.0004","90","","90.753","0.001","90","","14836.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.35 H51.66 Cl6.46 N7.34 O1.21 Pd3 -","- C48.106 H48.701 Cl6.45825 N7.345 O0.95825 Pd3 -","- C384.848 H389.608 Cl51.666 N58.76 O7.666 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1223","0.0724","","","0.1795","0.2112","","","","","","0.961","","","","has coordinates","279817","2022-12-09","07:50:58",""
"1551974","14.3234","0.0003","52.7691","0.001","19.7513","0.0004","90","","90.668","0.001","90","","14927.7","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.22 H52.35 Cl6.56 N7.35 O1.19 Pd3 -","- C48.971 H49.5685 Cl6.56575 N7.3475 O0.92375 Pd3 -","- C391.768 H396.548 Cl52.526 N58.78 O7.39 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1041","0.0667","","","0.1725","0.198","","","","","","0.989","","","","has coordinates","279817","2022-12-09","07:51:00",""
"1551975","14.3263","0.0003","52.7504","0.001","19.746","0.0004","90","","90.666","0.001","90","","14921.4","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.81 H53.02 Cl6.65 N7.3 O1.28 Pd3 -","- C49.5615 H49.6113 Cl6.6515 N7.29975 O1.03075 Pd3 -","- C396.492 H396.89 Cl53.212 N58.398 O8.246 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.109","0.0676","","","0.1753","0.2039","","","","","","0.987","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1551976","14.3197","0.0004","52.525","0.0013","19.6905","0.0005","90","","90.763","0.001","90","","14808.7","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.21 H52.58 Cl6.58 N7.28 O1.43 Pd3 -","- C48.966 H49.501 Cl6.58075 N7.285 O1.08075 Pd3 -","- C391.728 H396.008 Cl52.646 N58.28 O8.646 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1347","0.0766","","","0.1994","0.2412","","","","","","0.954","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1552049","6.8495","0.0014","18.809","0.004","7.2113","0.0015","90","","101.364","0.007","90","","910.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Californium(III) Borate","","","- B6 Cf H5 O13 -","- B6 Cf H5 O13 -","- B24 Cf4 H20 O52 -","4","0.5","","Matthew J. Polinski; Edward B. Garner III; Remi Maurice; Nora Planas; Jared T. Stritzinger; T. Gannon Parker; Justin N. Cross; Thomas D. Green; Evgeny V. Alekseev; Shelley M. Van Cleve; Wulf Depmeier; Laura Gagliardi; Michael Shatruk; Kenneth L. Knappenberger; Guokui Liu; S. Skanthakumar; Lynda Soderholm; David A. Dixon; Thomas E. Albrecht-Schmitt","Unusual structure, bonding and properties in a californium borate","Nature Chemistry","2014","6","","387","392","10.1038/nchem.1896","","","0.71073","MoKα","","0.0384","0.0277","","","0.0466","0.0547","","","","","","1.147","","","","has coordinates","216867","2020-10-21","18:00:00",""
"1552054","22.2055","0.0011","22.2055","0.0011","33.1729","0.0017","90","","90","","120","","14165.6","1.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C162 H90 O47 Y9 -","- C162 H90 O47 Y9 -","- C324 H180 O94 Y18 -","2","0.0833333","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.1102","0.0735","","","0.1998","0.2153","","","","","","0.978","","","","has coordinates,has disorder","216872","2020-10-21","18:00:00",""
"1552055","37.1384","0.0013","37.1384","0.0013","74.478","0.004","90","","90","","120","","88962","6","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C72 H35 Cu3 N O15 -","- C72.5 H35 Cu3 N O15 -","- C870 H420 Cu36 N12 O180 -","12","0.5","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0969","0.0638","","","0.1697","0.1846","","","","","","1.02","","","","has coordinates,has disorder","216873","2020-10-21","18:00:00",""
"1552056","15.2613","0.0009","15.2613","0.0009","19.903","0.0015","90","","90","","90","","4635.6","0.5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C80 H59 F11 N2 O37 Tb6 -","- C79.5 H59 F11 N2 O37 Tb6 -","- C159 H118 F22 N4 O74 Tb12 -","2","0.125","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0509","0.0435","","","0.1304","0.1384","","","","","","1.08","","","","has coordinates,has disorder","216874","2020-10-21","18:00:00",""
"1552057","14.0129","0.001","14.6036","0.001","4.7205","0.0003","90","","90","","90","","966","0.11","100","","100","","","","","","","","Synthesised.","5","P 21 21 2","P 2 2ab","18","Zinc(GlySer)2 H2O MeOH","Zinc(GlySer)2 H2O MeOH","","- C11.67 H26.67 N4 O10.67 Zn -","- C11.66 H26.64 N4 O10.66 Zn -","- C23.32 H53.28 N8 O21.32 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0586","0.0486","","","0.1197","0.1268","","","","","","1.045","","","","has coordinates,has disorder","216875","2020-10-21","18:00:00",""
"1552058","13.8742","0.0006","14.606","0.0007","4.7321","0.0002","90","","90","","90","","958.94","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlySer)0.5]2 H2O MeOH","","- C10.67 H18 N4 O7.97 Zn -","- C10.66 H18 N4 O7.96 Zn -","- C21.32 H36 N8 O15.92 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","","0.71073","MoKα","","0.072","0.0643","","","0.1779","0.1885","","","","","","1.137","","","","has coordinates,has disorder","216876","2020-10-21","18:00:00",""
"1552059","13.6542","0.0006","14.8585","0.0006","4.7251","0.0002","90","","90","","90","","958.63","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlyThr)0.5]2 H2O MeOH","","- C11.5 H18 N4 O8 Zn -","- C11.5 H18 N4 O8 Zn -","- C23 H36 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0505","0.0478","","","0.1339","0.1372","","","","","","1.068","","","","has coordinates,has disorder","216877","2020-10-21","18:00:00",""
"1552060","11.4558","0.001","13.0673","0.001","7.7695","0.0006","90","","126.716","0.004","90","","932.32","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H20 N4 O9.5 Zn -","- C12 H20 N4 O9.5 Zn -","- C24 H40 N8 O19 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0558","0.0498","","","0.1131","0.1174","","","","","","1.082","","","","has coordinates,has disorder","216878","2020-10-21","18:00:00",""
"1552061","13.8808","0.001","14.6838","0.0011","4.7401","0.0003","90","","90","","90","","966.14","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12.43 H26.85 N4 O10 Zn -","- C12.426 H26.852 N4 O10 Zn -","- C24.852 H53.704 N8 O20 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.0512","0.0436","","","0.1088","0.113","","","","","","1.041","","","","has coordinates,has disorder","216879","2020-10-21","18:00:00",""
"1552062","11.151","0.012","14.586","0.016","4.837","0.005","90","","90","","90","","786.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10.42 H18.85 N4 O8 Zn -","- C10.42 H18.84 N4 O8 Zn -","- C20.84 H37.68 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.112","0.0901","","","0.2135","0.2303","","","","","","1.055","","","","has coordinates,has disorder","216880","2020-10-21","18:00:00",""
"1552084","18.21","0.03","19.99","0.03","8.632","0.013","90","","100.39","0.05","90","","3091","8","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N5 Ni0.5 O2.5 -","- C28 H24 N10 Ni O5 -","- C112 H96 N40 Ni4 O20 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.0573","","","","0.0833","","","","","","1.222","","","","has coordinates","216962","2020-10-21","18:00:00",""
"1552085","18.56","0.11","19.7","0.22","8.63","0.05","90","","100.29","0.2","90","","3105","4","373.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 N5 Ni0.5 -","- C27 H24 N10 Ni -","- C108 H96 N40 Ni4 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.1148","","","","0.1867","","","","","","1.692","","","","has coordinates","216963","2020-10-21","18:00:00",""
"1552087","19.98","","20.43","","13.61","","90","","90","","90","","5555.48","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","FC5033","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2603","0.2178","","","0.5024","0.5448","","","","","","1.405","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552088","20.58","","19.6","","13.74","","90","","90","","90","","5542.28","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3058","0.2385","","","0.5479","0.5875","","","","","","1.597","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552089","20.39","","20.08","","13.57","","90","","90","","90","","5555.98","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2273","0.196","","","0.446","0.4735","","","","","","1.075","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552090","18.12","","20","","7.7","","90","","90","","90","","2790.48","","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Si-MOR","","- O128 Si64 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3181","0.291","","","0.6105","0.6472","","","","","","2.159","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552091","55.07","","55.07","","55.07","","90","","90","","90","","167011","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","PST-20","PST-20","","- O5280 Si2640 -","- O5280 Si2640 -","- O5280 Si2640 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5294","0.49","","","0.8459","0.8583","","","","","","3.224","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552092","45.07","","45.07","","45.07","","90","","90","","90","","91550.9","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","ZSM-25","Si-MWF","","- O2880 Si1440 -","- O2880 Si1440 -","- O2880 Si1440 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5268","0.4863","","","0.8264","0.8448","","","","","","3.065","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552093","16.5","0.4","16.5","0.4","29.8","0.8","90","","90","","90","","8113","4","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","PCN-416","PCN-416","","- C192 O96.16 Ti16 Zr4 -","- C192 O96.16 Ti16 Zr4 -","- C192 O96.16 Ti16 Zr4 -","1","0.0625","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2785","0.2163","","","0.4738","0.5351","","","","","","1.301","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552292","23.354","0.003","5.6449","0.0007","7.7373","0.001","90","","90","","90","","1020","0.2","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","YC5020","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0938","0.0414","","","0.064","0.0757","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552293","10.5366","0.0011","7.4255","0.0007","31.091","0.003","90","","90","","90","","2432.5","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0917","0.0565","","","0.1605","0.18","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552294","9.3954","0.0009","10.055","0.002","19.911","0.002","101.278","0.005","92.285","0.005","111.552","0.005","1702.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 I2 N2 O6 -","- C36 H30 I2 N2 O6 -","- C72 H60 I4 N4 O12 -","2","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0906","0.0369","","","0.0834","0.1199","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552295","21.7663","0.001","9.8526","0.0005","16.269","0.0007","90","","102.198","0.002","90","","3410.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I2 N2 O6 -","- C36 H30 I2 N2 O6 -","- C144 H120 I8 N8 O24 -","4","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","x-ray","1.2399","synchrotron","","0.0627","0.059","","","0.1651","0.1684","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552296","19.7244","0.0019","12.392","0.0012","35.75","0.003","90","","99.796","0.006","90","","8610.8","1.4","190","2","190","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C416 H352 N32 O32 -","16","2","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0756","0.0566","","","0.1402","0.1485","","","","","","1.047","","","","has coordinates,has disorder","301780","2025-08-18","21:43:26",""
"1552371","6.63","","20.78","","6.504","","90","","99.5","","90","","883.776","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Isotactic polypropylene","","- C9 H18 -","- C9 -","- C36 -","4","1","","Zdenek Mencik","Crystal structure of isotactic polypropylene","Journal of Macromolecular Science, Part B: Physics","1972","6","","101","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","219091","2020-10-21","18:00:00",""
"1552401","5.5482","0.0017","12.167","0.003","24.556","0.006","90","","90","","90","","1657.7","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0563","0.0441","","","0.1171","0.1238","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552402","5.6352","0.0008","13.4281","0.0017","11.2825","0.0015","90","","93.703","0.003","90","","852","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0445","0.0412","","","0.1226","0.126","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552403","5.9035","0.001","8.3771","0.0016","21.98","0.004","90","","90","","90","","1087","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0278","0.0273","","","0.0754","0.0758","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1553083","19.6299","0.0009","19.4566","0.0009","12.265","0.0006","90","","101.938","0.002","90","","4583.1","0.4","150","2","150.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 B F10 N2 -","- C23 H21 B F10 N2 -","- C184 H168 B8 F80 N16 -","8","2","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0873","0.0512","","","0.1218","0.1391","","","","","","1.0948","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553084","11.5423","0.0018","12.863","0.002","15.801","0.002","90","","93.409","0.006","90","","2341.8","0.6","150","2","149.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18.711 B F10 N2 -","- C23 H18.71 B F10 N2 -","- C92 H74.84 B4 F40 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1322","0.0754","","","0.154","0.1836","","","","","","1.0563","","","","has coordinates,has disorder","233278","2020-10-21","18:00:00",""
"1553085","16.756","0.003","19.073","0.004","15.93","0.003","90","","90","","90","","5091","1.7","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C29 H39 B N2 -","- C29 H39 B N2 -","- C232 H312 B8 N16 -","8","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1108","0.061","","","0.1439","0.1722","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553086","8.4021","0.0011","10.0498","0.0013","9.2882","0.001","90","","93.645","0.006","90","","782.7","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 B N2 -","- C18 H25 B N2 -","- C36 H50 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0434","0.0401","","","0.1031","0.1063","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553087","9.2454","0.0005","7.0797","0.0004","9.5352","0.0005","90","","100.812","0.002","90","","613.04","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 B N2 -","- C13 H23 B N2 -","- C26 H46 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.044","0.0428","","","0.1202","0.1217","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553088","7.4085","0.0006","9.5348","0.0006","20.4481","0.0016","90","","97.479","0.003","90","","1432.14","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0455","0.0366","","","0.0896","0.0958","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553089","8.8877","0.0003","14.4614","0.0005","10.8854","0.0004","90","","91.815","0.002","90","","1398.38","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B Cl2 N2 -","- C13 H21 B Cl2 N2 -","- C52 H84 B4 Cl8 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0394","0.0341","","","0.0911","0.0947","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553090","10.6012","0.0007","10.7318","0.0007","16.8601","0.0011","90","","105.327","0.002","90","","1849.9","0.2","149","2","149","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37 H20 B2 Cl2 F20 N2 -","- C37 H20 B2 Cl2 F20 N2 -","- C74 H40 B4 Cl4 F40 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0615","0.0628","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553091","11.0408","0.0011","6.6868","0.0006","16.9825","0.0015","90","","97.038","0.005","90","","1244.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 B P -","- C11 H24 B P -","- C44 H96 B4 P4 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0515","0.0369","","","0.0781","0.0836","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553092","10.9605","0.0007","15.9334","0.001","13.4384","0.0008","90","","112.447","0.002","90","","2169","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl Mo N2 O3 -","- C20 H29 Cl Mo N2 O3 -","- C80 H116 Cl4 Mo4 N8 O12 -","4","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0718","0.0464","","","0.1008","0.1116","","","","","","1.033","","","","has coordinates,has disorder","233426","2020-10-21","18:00:00",""
"1553093","58.3972","0.0004","58.3972","0.0004","58.3972","0.0004","90","","90","","90","","199148","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C41 H53 Cl17 Mo2 N4 O4 -","- C41 H53 Cl17 Mo2 N4 O4 -","- C3936 H5088 Cl1632 Mo192 N384 O384 -","96","0.5","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0843","0.0545","","","0.1472","0.1751","","","","","","1.082","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1553094","12.2348","0.0008","14.0396","0.0009","14.2351","0.001","92.035","0.003","107.553","0.003","104.751","0.003","2237.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Mo2 N4 O6 -","- C40 H60 Cl2 Mo2 N4 O6 -","- C80 H120 Cl4 Mo4 N8 O12 -","2","1","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0722","0.0447","","","0.0956","0.107","","","","","","1.019","","","","has coordinates","233426","2020-10-21","18:00:00",""
"1554403","5.5091","0.0007","7.2665","0.0008","16.992","0.002","80.823","0.005","83.934","0.004","78.863","0.004","656.9","0.14","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Dutta, Soumya; Mondal, Manas; Ghosh, Tubai; Saha, Amit","Unprecedented thiocarbamidation of nitroarenes: a facile one-pot route to unsymmetrical thioureas","Organic Chemistry Frontiers","2019","6","1","70","","10.1039/C8QO00752G","","","0.71073","MoKα","","0.1205","0.1014","","","0.2704","0.2926","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554419","15.853","0.003","12.375","0.002","7.3639","0.0012","90","","90","","90","","1444.7","0.4","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.","Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism","Organic Chemistry Frontiers","2019","6","1","134","","10.1039/C8QO00820E","","","0.71073","MoKα","","0.0757","0.0456","","","0.0892","0.1032","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554420","8.0844","0.0004","19.8817","0.001","10.2123","0.0005","90","","109.061","0.002","90","","1551.44","0.13","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","","Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.","Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism","Organic Chemistry Frontiers","2019","6","1","134","","10.1039/C8QO00820E","","","0.71073","MoKα","","0.0722","0.0486","","","0.1072","0.1218","","","","","","0.988","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554437","9.1009","0.0001","17.5658","0.0002","8.1862","0.0001","90","","103.294","0.001","90","","1273.61","0.03","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-hydroxy-7-methoxy-2-(methylthio)quinoline-3-carboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol–keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0726","0.0558","","","0.1285","0.1368","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554438","7.2268","0.0003","9.0737","0.0004","10.4696","0.0004","80.813","0.002","84.674","0.002","88.958","0.003","674.8","0.05","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Methyl 8-methoxy-2-(methylthio)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C26 H30 N2 O10 S2 -","2","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol–keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0589","0.0511","","","0.1476","0.1552","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554439","7.2412","0.0009","9.7236","0.0012","11.4552","0.0015","85.64","0.006","87.406","0.006","77.183","0.006","783.86","0.17","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Methyl 8-methoxy-2-(methylsulfinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H19 N O8 S -","- C13 H19 N O8 S -","- C26 H38 N2 O16 S2 -","2","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol–keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0509","0.0429","","","0.1227","0.1289","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554440","6.6266","0.0006","18.2993","0.0015","11.8645","0.001","90","","99.67","0.006","90","","1418.3","0.2","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 5-methoxy-2-(methylsulfinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C64 H52 N4 O20 S4 -","4","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0963","0.0785","","","0.2396","0.2512","","","","","","1.103","","","","has coordinates","237237","2020-10-21","18:00:00",""
"1554446","10.9778","0.0007","16.148","0.001","17.5888","0.0011","90","","106.231","0.0016","90","","2993.7","0.3","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 N3 P2 Rh -","- C31 H44 N3 P2 Rh -","- C124 H176 N12 P8 Rh4 -","4","1","","Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei","Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex","Organic Chemistry Frontiers","2019","6","6","721","","10.1039/C8QO00892B","","","1.54178","CuKα","","0.0345","0.0339","","","0.0932","0.0937","","","","","","1.047","","","","has coordinates,has disorder","237242","2020-10-21","18:00:00",""
"1554447","29.2408","0.0009","13.8295","0.0004","25.4214","0.0007","90","","120.925","0.001","90","","8818.6","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H120 N6 O3 P4 Rh2 -","- C92 H120 N6 O3 P4 Rh2 -","- C368 H480 N24 O12 P16 Rh8 -","4","0.5","","Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei","Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex","Organic Chemistry Frontiers","2019","6","6","721","","10.1039/C8QO00892B","","","1.54178","CuKα","","0.0288","0.0276","","","0.0752","0.0763","","","","","","1.015","","","","has coordinates","237242","2020-10-21","18:00:00",""
"1554449","12.2395","0.0019","14.363","0.002","18.399","0.003","89.442","0.003","89.312","0.002","88.419","0.003","3232.9","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 I N2 Ru -","- C30 H37 I N2 Ru -","- C120 H148 I4 N8 Ru4 -","4","2","","Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis","Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines","Organic Chemistry Frontiers","2019","6","5","563","","10.1039/C8QO00902C","","","0.71073","MoKα","","0.0941","0.0641","","","0.1851","0.2175","","","","","","1.002","","","","has coordinates","237246","2020-10-21","18:00:00",""
"1554450","15.329","0.002","7.7727","0.001","21.254","0.003","90","","95.269","0.002","90","","2521.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 I N2 Ru -","- C27 H31 I N2 Ru -","- C108 H124 I4 N8 Ru4 -","4","1","","Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis","Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines","Organic Chemistry Frontiers","2019","6","5","563","","10.1039/C8QO00902C","","","0.71073","MoKα","","0.0375","0.0299","","","0.0729","0.0763","","","","","","1.036","","","","has coordinates","237246","2020-10-21","18:00:00",""
"1554463","8.892","0.012","9.668","0.01","13.91","0.02","86.33","0.05","86.29","0.04","67.91","0.04","1105","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C54 H50 N2 O6 S2 -","2","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0862","0.0477","","","0.1076","0.1226","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554464","7.6023","0.0004","7.8229","0.0004","16.7412","0.0009","85.307","0.002","84.129","0.002","85.07","0.002","984.06","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N O3 S -","- C22 H25 N O3 S -","- C44 H50 N2 O6 S2 -","2","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0583","0.0456","","","0.1183","0.1267","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554465","10.5059","0.0006","11.5524","0.0005","19.3292","0.0009","90","","99.812","0.002","90","","2311.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0784","0.0505","","","0.1215","0.1379","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554466","8.6751","0.0005","21.9074","0.0013","12.355","0.0005","90","","107.893","0.001","90","","2234.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O3 S -","- C25 H29 N O3 S -","- C100 H116 N4 O12 S4 -","4","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0905","0.0654","","","0.1575","0.1784","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554485","6.1036","0.0004","12.5506","0.0007","21.976","0.0013","90","","90","","90","","1683.45","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Yang, Qian; Hu, Kun; Yan, Bing-Chao; Liu, Miao; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Maoeriocalysins A–D, four novel ent-kaurane diterpenoids from Isodon eriocalyx and their structure determination utilizing quantum chemical calculation in conjunction with quantitative interproton distance analysis","Organic Chemistry Frontiers","2019","6","1","45","","10.1039/C8QO01007B","","","1.54178","CuKα","","0.0356","0.0353","","","0.0939","0.0942","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554489","7.4865","0.0008","11.7277","0.0013","20.913","0.003","90","","90","","90","","1836.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0552","0.0436","","","0.0997","0.108","","","","","","1.106","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554490","8.4745","0.0007","13.483","0.0013","12.5515","0.0012","90","","96.566","0.003","90","","1424.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F N5 O2 -","- C16 H12 F N5 O2 -","- C64 H48 F4 N20 O8 -","4","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0581","0.0443","","","0.1115","0.1196","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554491","6.185","0.002","7.487","0.002","18.728","0.006","90","","96.138","0.011","90","","862.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N3 -","- C9 H7 F N4 -","- C36 H28 F4 N16 -","4","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0746","0.0546","","","0.1129","0.1211","","","","","","1.05","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554492","27.38","0.03","26.9","0.03","24.03","0.03","90","","90","","90","","17699","4","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C70 H56 Ag5 Cl2 N6 P4 -","- C70 H56 Ag5 Cl2 N6 P4 -","- C560 H448 Ag40 Cl16 N48 P32 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0794","0.0647","","","0.1672","0.1826","","","","","","1.112","","","","has coordinates,has disorder","237278","2020-10-21","18:00:00",""
"1554493","3.9188","0.0004","12.5127","0.0013","15.3057","0.0015","101.08","0.005","96.416","0.005","92.665","0.005","730.13","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C–H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.0531","0.0459","","","0.1268","0.1325","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554494","10.5762","0.0007","7.8869","0.0006","19.9879","0.0016","90","","91.535","0.003","90","","1666.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C–H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.048","0.0377","","","0.0832","0.0897","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554495","9.1577","0.0009","10.7173","0.0007","13.3021","0.001","106.893","0.003","91.497","0.004","91.349","0.003","1248.12","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C50 H40 N8 O4 -","2","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C–H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.1257","0.1087","","","0.2187","0.2278","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554496","8.5256","0.0003","16.9053","0.0005","8.9274","0.0003","90","","112.31","0.004","90","","1190.37","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Xu, Jianfeng; Peng, Jingyi; He, Chonglong; Ren, Hongjun","N-Heterocyclic carbene catalyzed chemo- and enantioselective cross-benzoin reaction of aldehydes with isatins","Organic Chemistry Frontiers","2019","6","2","172","","10.1039/C8QO01085D","","","1.54184","CuKα","","0.0359","0.0348","","","0.0962","0.0974","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554497","12.268","0.002","8.6753","0.0017","37.965","0.007","90","","92.878","0.003","90","","4035.5","1.3","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl3 O P S3 -","- C18 H12 Cl3 O P S3 -","- C144 H96 Cl24 O8 P8 S24 -","8","1","","Lu, Guozhang; Chen, Jun; Huangfu, Xinlei; Li, Xueyan; Fang, Meijuan; Tang, Guo; Zhao, Yufen","Visible-light-mediated direct synthesis of phosphorotrithioates as potent anti-inflammatory agents from white phosphorus","Organic Chemistry Frontiers","2019","6","2","190","","10.1039/C8QO01087K","","","0.71073","MoKα","","0.0596","0.0534","","","0.1351","0.139","","","","","","1.148","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554498","25.2058","0.0019","7.2704","0.0006","19.2306","0.0015","90","","105.306","0.002","90","","3399.1","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H42 Cl2 O7 -","- C38 H42 Cl2 O7 -","- C152 H168 Cl8 O28 -","4","1","","Fan, Jian-Hong; Hu, Ya-Jian; Guo, Qiang; Li, Shaoping; Zhao, Jing; Li, Chuang-Chuang","Asymmetric synthesis of the tetracyclic core of bufogargarizin C by an intramolecular [5 + 2] cycloaddition","Organic Chemistry Frontiers","2019","6","1","22","","10.1039/C8QO01089G","","x-ray","0.71073","MoKα","","0.0433","0.0408","","","0.0936","0.0945","","","","","","1.107","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554499","7.8836","0.0005","12.2399","0.0008","11.1988","0.0008","90","","90.174","0.002","90","","1080.62","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C54 H44 N2 O4 P2 -","2","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0275","0.0269","","","0.0732","0.0738","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554500","6.0253","0.0006","9.0011","0.0009","10.3679","0.0011","75.005","0.003","76.437","0.003","89.09","0.003","527.4","0.09","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C27 H22 N O2 P -","1","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0488","0.0427","","","0.085","0.0879","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554501","23.47","0.002","9.9387","0.0006","17.2934","0.0012","90","","123.484","0.007","90","","3364.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 F3 O4 -","- C19 H15 F3 O4 -","- C152 H120 F24 O32 -","8","1","","Chen, Yueji; You, Yi; Weng, Zhiqiang","Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities","Organic Chemistry Frontiers","2019","6","2","213","","10.1039/C8QO01118D","","","0.71073","MoKα","","0.0537","0.0407","","","0.1194","0.1456","","","","","","1.13","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554502","13.7491","0.0016","5.8303","0.0005","21.42","0.003","90","","105.814","0.012","90","","1652.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br2 F2 O2 -","- C17 H12 Br2 F2 O2 -","- C68 H48 Br8 F8 O8 -","4","1","","Chen, Yueji; You, Yi; Weng, Zhiqiang","Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities","Organic Chemistry Frontiers","2019","6","2","213","","10.1039/C8QO01118D","","","0.71073","MoKα","","0.1837","0.0882","","","0.1408","0.1687","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554503","21.2879","0.0007","7.5138","0.0004","11.5723","0.0006","90","","90","","90","","1851.02","0.15","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Shoji, Taku; Araki, Takanori; Iida, Nanami; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo","Synthesis of azulenophthalimides by phosphine-mediated annulation of 1,2-diformylazulenes with maleimides","Organic Chemistry Frontiers","2019","6","2","195","","10.1039/C8QO01121D","","","0.71075","MoKα","","0.0612","0.0492","","","0.1036","0.1087","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554504","25.2081","0.0012","25.2081","0.0012","30.11","0.0016","90","","90","","120","","16570","1.4","101","2","101","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C68 H68 Cl6 N4 O10 P2 -","- C68 H68 Cl6 N4 O10 P2 -","- C612 H612 Cl54 N36 O90 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion–π and anion–π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0688","0.0656","","","0.1913","0.1949","","","","","","0.996","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554505","19.7346","0.0013","19.9943","0.0012","14.9829","0.0007","90","","110.36","0.002","90","","5542.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 I N2 O4 P2 -","- C66 H66 I N2 O4 P2 -","- C264 H264 I4 N8 O16 P8 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","0.71073","MoKα","","0.0664","0.0566","","","0.1493","0.1555","","","","","","1.039","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554506","10.967","0.0006","15.8648","0.001","20.3172","0.0011","90","","105.084","0.003","90","","3413.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Br Cl3 N O2 P -","- C34 H34 Br Cl3 N O2 P -","- C136 H136 Br4 Cl12 N4 O8 P4 -","4","1","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion–π and anion–π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0818","0.063","","","0.1632","0.1801","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554507","19.664","0.0005","19.9512","0.0006","15.5025","0.0004","90","","111.125","0.001","90","","5673.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 F6 N2 O4 P3 -","- C66 H66 F6 N2 O4 P3 -","- C264 H264 F24 N8 O16 P12 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0587","0.0565","","","0.154","0.1587","","","","","","1.066","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554508","24.8062","0.0009","24.8062","0.0009","30.0418","0.0011","90","","90","","120","","16009.5","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Cl N2 O7.33 P2 -","- C66 H66 Cl1.00013 N2 O7.33333 P2 -","- C594 H594 Cl9.0012 N18 O66 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1453","0.1377","","","0.4022","0.4169","","","","","","2.015","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554509","15.5817","0.0005","20.6208","0.0006","22.0566","0.0007","90","","90","","90","","7086.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 F12 N2 O6 P4 -","- C74 H86 F12 N2 O6 P4 -","- C296 H344 F48 N8 O24 P16 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion–π and anion–π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1075","0.1029","","","0.2711","0.2756","","","","","","1.046","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554510","14.2234","0.0009","15.5567","0.0011","12.5242","0.0008","90","","108.744","0.002","90","","2624.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 N2 O4 P2 -","- C66 H66 N2 O4 P2 -","- C132 H132 N4 O8 P4 -","2","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0775","0.0711","","","0.2076","0.2176","","","","","","1.119","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554511","24.7543","0.0007","24.7543","0.0007","30.0212","0.0009","90","","90","","120","","15931.6","0.8","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Br N2 O4 P2 -","- C66 H66 Br0.990667 N2 O4 P2 -","- C594 H594 Br8.916 N18 O36 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54184","CuKα","","0.1455","0.1345","","","0.3998","0.4175","","","","","","2.005","","","","has coordinates","237297","2020-10-21","18:00:00",""
"1554512","6.3585","0.0005","10.945","0.0011","17.5672","0.0013","90","","92.051","0.007","90","","1221.78","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N S -","- C12 H17 N S -","- C48 H68 N4 S4 -","4","1","","Lai, Miao; Wu, Zhiyong; Wang, Yizhi; Zheng, Ying; Zhao, Mingqin","Selective synthesis of aryl thioamides and aryl-α-ketoamides from α-oxocarboxylic acids and tetraalkylthiuram disulfides: an unexpected chemoselectivity from aryl sulfonyl chlorides","Organic Chemistry Frontiers","2019","6","4","506","","10.1039/C8QO01127C","","x-ray","1.54184","CuKα","","0.076","0.0566","","","0.1577","0.1751","","","","","","1.039","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554513","10.687","0.008","12.035","0.009","14.902","0.011","90","","90","","90","","1917","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing","Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine","Organic Chemistry Frontiers","2019","6","8","1080","","10.1039/C8QO01132J","","","0.71073","MoKα","","0.0873","0.0517","","","0.1255","0.1398","","","","","","1.008","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554514","10.4344","0.0002","11.4942","0.0002","11.5277","0.0002","90","","90","","90","","1382.58","0.04","288.3","0.1","288.3","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.0333","0.0312","","","0.0783","0.0804","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554515","8.431","0.0006","8.6965","0.0005","11.7742","0.0005","80.603","0.004","87.055","0.004","65.92","0.006","777.47","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C40 H40 O6 -","2","1","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.0425","0.0362","","","0.0912","0.0961","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554516","9.8733","0.0007","10.3877","0.0007","37.781","0.002","90","","96.893","0.006","90","","3846.8","0.4","100","0.6","100","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 F O3 -","- C25 H21 F O3 -","- C200 H168 F8 O24 -","8","2","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.1466","0.0889","","","0.1572","0.1914","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554517","23.63","0.002","42.848","0.004","5.8546","0.0005","90","","90","","90","","5927.8","0.9","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C304 H256 O32 -","16","1","","Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua","Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)–C(sp2) bonds","Organic Chemistry Frontiers","2019","6","4","437","","10.1039/C8QO01139G","","","0.71073","MoKα","","0.0497","0.0396","","","0.0922","0.0979","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554518","10.476","0.011","15.249","0.018","11.317","0.013","90","","116.28","0.03","90","","1621","3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua","Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds","Organic Chemistry Frontiers","2019","6","4","437","","10.1039/C8QO01139G","","","0.71073","MoKα","","0.0851","0.0682","","","0.1841","0.2064","","","","","","1.054","","","","has coordinates,has disorder","237304","2020-10-21","18:00:00",""
"1554519","8.3257","0.0007","15.1988","0.0012","16.3404","0.0013","90","","95.005","0.004","90","","2059.8","0.3","303","2","303","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng","Cu(OTf)2-mediated C(sp2)–H arylsulfonylation of enamides via the insertion of sulfur dioxide","Organic Chemistry Frontiers","2019","6","1","94","","10.1039/C8QO01144C","","","0.71073","MoKα","","0.0487","0.045","","","0.131","0.1373","","","","","","0.898","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554520","11.8106","0.0004","12.5767","0.0004","26.9924","0.001","90","","90","","90","","4009.4","0.2","100","0.3","100","0.3","","","","","","","Marine Sponge-Derived Fungus Aspergillus versicolor SCSIO 41016","4","P 21 21 21","P 2ac 2ab","19","(1R,4R)-4-benzyl-1-((S)-sec-butyl)-1-methoxy-1,2-dihydro-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione","Brevianamide Y","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C184 H200 N24 O24 -","8","2","","Luo, Xiaowei; Chen, Chunmei; Tao, Huaming; Lin, Xiuping; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Structurally diverse diketopiperazine alkaloids from the marine-derived fungus Aspergillus versicolor SCSIO 41016","Organic Chemistry Frontiers","2019","6","6","736","","10.1039/C8QO01147H","","x-ray","1.54184","CuKα","","0.063","0.0501","","","0.1333","0.1414","","","","","","1.029","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554521","9.115","0.003","9.448","0.002","11.944","0.003","101.46","0.02","91.031","0.006","106.62","0.007","962.9","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C40 H46 N4 O6 P2 -","2","1","","Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu","Highly selective C–H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines","Organic Chemistry Frontiers","2019","6","3","393","","10.1039/C8QO01148F","","","0.71073","MoKα","","0.0985","0.0841","","","0.2742","0.2831","","","","","","1.17","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554522","7.6453","0.0019","11.642","0.003","9.808","0.003","90","","102.969","0.008","90","","850.7","0.4","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C36 H40 N2 O6 P2 -","2","1","","Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu","Highly selective C–H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines","Organic Chemistry Frontiers","2019","6","3","393","","10.1039/C8QO01148F","","","0.71073","MoKα","","0.0904","0.0586","","","0.1416","0.1677","","","","","","0.883","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554523","27.337","0.003","6.1593","0.0004","20.343","0.002","90","","106.22","0.01","90","","3288.9","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 N6 O12 -","- C30 H36 N6 O12.004 -","- C120 H144 N24 O48.016 -","4","0.5","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.5418","CuKα","","0.0568","0.0466","","","0.1386","0.1599","","","","","","0.807","","","","has coordinates","237310","2020-10-21","18:00:00",""
"1554524","6.8698","0.0001","14.4541","0.0003","14.7842","0.0003","90","","95.204","0.002","90","","1461.97","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N6 O10 -","- C30 H36 N6 O10 -","- C60 H72 N12 O20 -","2","0.5","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.54184","CuKα","","0.0702","0.0513","","","0.1411","0.1714","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554525","15.1627","0.0005","6.4915","0.0004","29.4057","0.0009","90","","90","","90","","2894.4","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H38 N6 O9 S2 -","- C26 H38 N6 O9 S2 -","- C104 H152 N24 O36 S8 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.54184","CuKα","","0.0311","0.0287","","","0.0741","0.0755","","","","","","0.973","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554526","11.4833","0.0006","7.3773","0.0005","13.116","0.0007","90","","96.533","0.004","90","","1103.92","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O8 -","- C21 H28 N2 O8 -","- C42 H56 N4 O16 -","2","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.1605","0.1491","","","0.3396","0.3552","","","","","","1.408","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554527","6.1903","0.0012","13.744","0.003","32.103","0.006","90","","90","","90","","2731.3","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Br0 Cl N O4 -","- C32 H34 Cl N O4 -","- C128 H136 Cl4 N4 O16 -","4","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.0353","0.034","","","0.0874","0.0887","","","","","","1.062","","","","has coordinates","237312","2020-10-21","18:00:00",""
"1554528","7.976","0.003","8.218","0.003","15.344","0.006","94.059","0.008","104.85","0.007","97.364","0.008","958.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C20 H16 F4 N20 O24 -","4","2","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0853","0.0448","","","0.0884","0.1034","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554529","5.4659","0.0012","10.477","0.002","8.1322","0.0017","90","","94.857","0.004","90","","464.03","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C10 H8 F2 N10 O12 -","2","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0763","0.0431","","","0.0688","0.0781","","","","","","0.987","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554530","11.4331","0.0011","5.7212","0.0006","11.2434","0.0011","90","","90","","90","","735.44","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H3 F N6 O4 -","- C3 H3 F N6 O4 -","- C12 H12 F4 N24 O16 -","4","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.033","0.0289","","","0.0628","0.0648","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554531","6.6055","0.0003","11.5186","0.0005","23.4809","0.001","90","","90","","90","","1786.57","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C40 H32 F8 N40 O48 -","8","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0368","0.0317","","","0.0837","0.0878","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554532","14.3845","0.0014","4.3448","0.0004","23.199","0.002","90","","90","","90","","1449.9","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.051","0.0375","","","0.0747","0.0802","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554533","21.0827","0.0015","8.2829","0.0006","8.2169","0.0004","90","","95.222","0.002","90","","1428.93","0.16","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","2","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.0603","0.0448","","","0.1034","0.1156","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554534","9.2179","0.0004","10.4777","0.0005","14.2247","0.0007","100.062","0.002","92.031","0.002","103.287","0.002","1312.41","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Au Cl O2 P -","- C28 H33 Au Cl O2 P -","- C56 H66 Au2 Cl2 O4 P2 -","2","1","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.0196","0.0186","","","0.0442","0.048","","","","","","1.137","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554535","11.0158","0.0017","12.13","0.0016","23.587","0.003","90","","90","","90","","3151.7","0.8","295.19","0.1","295.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl N O9 -","- C33 H32 Cl N O9 -","- C132 H128 Cl4 N4 O36 -","4","1","","Cao, Jian; Liu, Jin-Yu; Zhang, Yi-Ming; Wang, Zhu-Yin; Xu, Peng-Fei","Synergistic promotion by intramolecular hydrogen bonding: a bi-functionally catalyzed cascade reaction for the synthesis of enantiopure chromenopyrrolidines","Organic Chemistry Frontiers","2019","6","5","674","","10.1039/C8QO01208C","","","0.71073","MoKα","","0.1754","0.0917","","","0.2117","0.2924","","","","","","0.989","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554536","7.0667","0.0003","23.0878","0.001","21.9663","0.0007","90","","90","","90","","3583.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Br2 N O2 -","- C20 H15 Br2 N O2 -","- C160 H120 Br16 N8 O16 -","8","2","","Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo","Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines","Organic Chemistry Frontiers","2019","6","4","468","","10.1039/C8QO01212A","","x-ray","1.54178","CuKα","","0.048","0.0415","","","0.1039","0.1129","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554537","5.2572","0.001","12.458","0.003","13.205","0.003","69.94","0.03","83.57","0.03","89.74","0.03","806.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C34 H34 Br2 N8 O2 -","2","1","","Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.","3,3-Diazidoenones – new types of highly reactive bis-azides. Preparation and synthetic transformations","Organic Chemistry Frontiers","2019","6","3","335","","10.1039/C8QO01214H","","","0.9626","synchrotron","","0.0871","0.0615","","","0.1321","0.1567","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554538","12.429","0.003","10.415","0.002","37.841","0.008","90","","90.13","0.03","90","","4898.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N2 O P -","- C27 H21 N2 O P -","- C216 H168 N16 O8 P8 -","8","2","","Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.","3,3-Diazidoenones – new types of highly reactive bis-azides. Preparation and synthetic transformations","Organic Chemistry Frontiers","2019","6","3","335","","10.1039/C8QO01214H","","","0.9626","synchrotron","","0.0717","0.0524","","","0.1369","0.1567","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554539","8.8134","0.0002","10.3559","0.0003","18.035","0.0004","100.993","0.002","95.022","0.002","92.933","0.002","1605.78","0.07","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 N2 O Si -","- C34 H44 N2 O Si -","- C68 H88 N4 O2 Si2 -","2","1","","Chen, Cui-Hong; Chai, Yun; Zhou, Zheng-Xin; Rao, Wei-Hao; Liu, Bin; Liu, Li; Xu, Ran; Liu, Yue-Jin; Zeng, Ming-Hua","Room-temperature Pd(ii)-catalyzed direct C–H TIPS-ethynylation of phenylacetic amides with terminal alkynes","Organic Chemistry Frontiers","2019","6","4","442","","10.1039/C8QO01215F","","x-ray","1.54184","CuKα","","0.0943","0.0837","","","0.2634","0.2881","","","","","","1.199","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554540","44.902","0.003","11.1591","0.001","10.6337","0.0007","90","","90","","90","","5328.2","0.7","293","2","293.15","","","","","","","","","2","P m n 21","P 2ac -2","31","","","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe","[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase","Organic Chemistry Frontiers","2019","6","3","309","","10.1039/C8QO01218K","","","0.71073","MoKα","","0.1151","0.0659","","","0.1395","0.1705","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554541","11.372","0.0004","13.1796","0.0006","24.509","0.001","105.144","0.004","93.375","0.003","90.36","0.003","3538.8","0.3","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H36 -","- C42 H36 -","- C168 H144 -","4","2","","Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe","[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase","Organic Chemistry Frontiers","2019","6","3","309","","10.1039/C8QO01218K","","","0.71073","MoKα","","0.1065","0.0559","","","0.1406","0.1715","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554542","14.2625","0.0006","18.0213","0.0012","31.3062","0.0019","86.466","0.005","83.674","0.005","83.298","0.005","7933.2","0.8","173","1","173","1","","","","","","","","5","P -1","-P 1","2","2S1Se","2S1Se","","- C42 H54 O6 S2 Se -","- C42 H54 O6 S2.0001 Se0.9999 -","- C336 H432 O48 S16.0008 Se7.9992 -","8","4","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.3577","0.1279","","","0.2179","0.3316","","","","","","0.978","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554543","17.4194","0.0002","8.2052","0.0001","28.3968","0.0004","90","","90.166","0.001","90","","4058.73","0.09","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2S1Se_Ester","2S1Se_Ester","","- C42 H54 O8 S2 Se -","- C42 H53.2 O8 S2 Se -","- C168 H212.8 O32 S8 Se4 -","4","1","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","1.54184","CuKα","","0.1591","0.1451","","","0.4154","0.4404","","","","","","1.954","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554544","12.1441","0.0008","16.8305","0.0009","20.8669","0.0013","98.844","0.005","91.448","0.005","102.981","0.005","4098.7","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","2Te1se","2Te1Se","","- C42 H54 O6 Se Te2 -","- C42 H54 O6 Se0.9999 Te2.0001 -","- C168 H216 O24 Se3.9996 Te8.0004 -","4","2","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.222","0.1224","","","0.2831","0.3567","","","","","","1.05","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554545","14.2879","0.0004","18.0394","0.0007","31.4094","0.0008","86.414","0.002","83.365","0.002","83.373","0.002","7977.7","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","2Se1S","2Se1S","","- C42 H54 O6 S Se2 -","- C42 H54 O6 S0.9999 Se2.0001 -","- C336 H432 O48 S7.9992 Se16.0008 -","8","4","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.147","0.0737","","","0.1493","0.1919","","","","","","1.024","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554546","13.0718","0.0011","15.5471","0.0013","10.5005","0.0009","90","","113.181","0.001","90","","1961.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br N2 O -","- C24 H19 Br N2 O -","- C96 H76 Br4 N8 O4 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.0703","0.043","","","0.0855","0.0951","","","","","","1.005","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554547","12.9966","0.0015","15.5319","0.0017","10.522","0.0012","90","","113.397","0.002","90","","1949.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C96 H76 Cl4 N8 O4 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.1316","0.0594","","","0.1392","0.1615","","","","","","0.835","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554548","9.5976","0.0009","10.3316","0.0009","13.9249","0.0013","90","","90","","90","","1380.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.0261","0.0251","","","0.0706","0.0713","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554549","8.802","0.0005","9.9463","0.0007","10.213","0.0008","116.522","0.007","100.853","0.006","103.243","0.005","734.13","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","x-ray","0.71073","MoKα","","0.0591","0.048","","","0.1137","0.123","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554550","33.58","0.005","13.96","0.002","8.0737","0.0013","90","","100.506","0.003","90","","3721.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 N O4 -","- C19 H19 Cl2 N O4 -","- C152 H152 Cl16 N8 O32 -","8","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.1178","0.0945","","","0.257","0.2749","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554551","11.8513","0.0006","8.0917","0.0004","24.6768","0.0012","90","","90","","90","","2366.4","0.2","295.38","0.1","295.38","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C104 H176 O16 -","8","1","","He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong","A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids","Organic Chemistry Frontiers","2019","6","3","383","","10.1039/C8QO01235K","","","0.71073","MoKα","","0.0908","0.0642","","","0.152","0.1749","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554552","9.1789","0.0003","10.574","0.0003","11.4116","0.0004","90","","91.684","0.003","90","","1107.11","0.06","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C50 H48 O10 S2 -","2","1","","Zhang, Nan; He, Tingting; Liu, Yidong; Li, Shan; Tan, Yu; Peng, Lei; Li, Dongmei; Shan, Chunhui; Yan, Hailong","Organocatalytic atropo- and E/Z-selective Michael addition reaction of ynones with α-amido sulfones as sulfone-type nucleophile","Organic Chemistry Frontiers","2019","6","4","451","","10.1039/C8QO01241E","","","0.71073","MoKα","","0.0639","0.0464","","","0.0909","0.1016","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554553","9.809","0.008","9.877","0.008","9.925","0.008","66.084","0.014","65.463","0.014","64.347","0.015","758.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 F3 N O6 Se -","- C12 H10 F3 N O6 Se -","- C24 H20 F6 N2 O12 Se2 -","2","1","","Ge, Hangming; Shen, Qilong","Trifluoromethyl-substituted selenium ylide: a broadly applicable electrophilic trifluoromethylating reagent","Organic Chemistry Frontiers","2019","6","13","2205","","10.1039/C8QO01249K","","","0.71073","MoKα","","0.0583","0.0435","","","0.093","0.0982","","","","","","1.001","","","","has coordinates","237335","2020-10-21","18:00:00",""
"1554554","10.5315","0.0008","7.0899","0.0004","12.4878","0.0012","90","","105.29","0.008","90","","899.43","0.13","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O S -","- C20 H29 N O S -","- C40 H58 N2 O2 S2 -","2","1","","Qin, Shuanglin; Liu, Tongtong; Luo, Yunhao; Jiang, Shende; Yang, Guang","Diastereoselective Rh-catalyzed decarboxylative allylation to form quaternary stereocenters using sulfinimine as the directing group","Organic Chemistry Frontiers","2019","6","6","732","","10.1039/C8QO01258J","","","0.71073","MoKα","","0.0454","0.0372","","","0.0829","0.0865","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554555","41.982","0.002","8.4505","0.0002","16.3226","0.0009","90","","123.085","0.008","90","","4851.8","0.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N3 Si -","- C26 H31 N3 Si -","- C208 H248 N24 Si8 -","8","1","","Wu, Wanqing; Fang, Songjia; Jiang, Guangbin; Li, Meng; Jiang, Huanfeng","Palladium-catalyzed regioselective C–H alkynylation of indoles with bromoalkynes in water","Organic Chemistry Frontiers","2019","6","13","2200","","10.1039/C8QO01261J","","x-ray","0.71073","MoKα","","0.104","0.0955","","","0.2461","0.2565","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554556","5.7768","0.0005","26.401","0.002","15.2336","0.0014","90","","95.248","0.002","90","","2313.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Ji, Cheng-Long; Pan, Yao; Geng, Fang-Zhou; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Synergistic silver/scandium catalytic spiroketalization of β-alkynyl ketones for the atom economical synthesis of skeletally diverse spirocyclic isochromenes","Organic Chemistry Frontiers","2019","6","4","474","","10.1039/C8QO01277F","","","0.71073","MoKα","","0.1742","0.0652","","","0.069","0.0817","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554557","31.1655","0.0005","8.4946","0.0001","13.3472","0.0002","90","","98.752","0.002","90","","3492.37","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C168 H168 N8 O16 S8 -","8","1","","Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa","Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles","Organic Chemistry Frontiers","2019","6","4","480","","10.1039/C8QO01278D","","x-ray","1.54184","CuKα","","0.0434","0.0423","","","0.1101","0.1111","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554558","8.6549","0.0005","18.21","0.0011","11.9124","0.0006","90","","94.769","0.005","90","","1870.96","0.18","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O3 S -","- C21 H18 Br N O3 S -","- C84 H72 Br4 N4 O12 S4 -","4","1","","Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa","Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles","Organic Chemistry Frontiers","2019","6","4","480","","10.1039/C8QO01278D","","x-ray","1.54184","CuKα","","0.0832","0.0759","","","0.2101","0.2302","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554559","9.7904","0.0003","10.7882","0.0004","12.3517","0.0004","83.891","0.001","69.723","0.001","84.499","0.001","1214.36","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O2 Si -","- C28 H36 N2 O2 Si -","- C56 H72 N4 O4 Si2 -","2","1","","Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang","Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C–H activation","Organic Chemistry Frontiers","2019","6","5","699","","10.1039/C8QO01279B","","","1.54178","cukα","","0.037","0.0364","","","0.0926","0.093","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554560","9.9601","0.0004","10.6766","0.0003","11.8691","0.0004","74.393","0.001","85.571","0.001","88.958","0.001","1211.99","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N O4 Si -","- C27 H31 N O4 Si -","- C54 H62 N2 O8 Si2 -","2","1","","Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang","Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C–H activation","Organic Chemistry Frontiers","2019","6","5","699","","10.1039/C8QO01279B","","","0.71073","MoKα","","0.0708","0.0582","","","0.1647","0.1781","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554561","8.24","0.0004","10.3859","0.0004","17.7438","0.0008","90","","95.373","0.004","90","","1511.84","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N4 O4 S2 -","- C31 H24 Cl2 N4 O4 S2 -","- C62 H48 Cl4 N8 O8 S4 -","2","0.5","","Han, Shuaijun; Gao, Xianying; Wu, Qingsong; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Nickel-promoted C(2)‒H amidation of quinoline N-oxides with N-fluorobenzenesulfonimide","Organic Chemistry Frontiers","2019","6","6","830","","10.1039/C8QO01281D","","x-ray","1.54184","CuKα","","0.0771","0.0642","","","0.1813","0.1981","","","","","","1.049","","","","has coordinates","237344","2020-10-21","18:00:00",""
"1554562","25.795","0.004","9.144","0.0015","21.256","0.004","90","","90","","90","","5013.6","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H28 Cl N4 O2.5 Pd -","- C25.5 H25 Cl N4 O2.5 Pd -","- C204 H200 Cl8 N32 O20 Pd8 -","8","2","","Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)–H and C(sp3)–H bonds of carboxamides","Organic Chemistry Frontiers","2019","6","4","544","","10.1039/C8QO01290C","","","0.71073","MoKα","","0.0827","0.072","","","0.2088","0.2181","","","","","","1.088","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554563","26.203","0.004","10.644","0.0015","30.852","0.004","90","","106.633","0.002","90","","8245","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 Br N2 -","- C18 H11 Br N2 -","- C432 H264 Br24 N48 -","24","3","","Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)–H and C(sp3)–H bonds of carboxamides","Organic Chemistry Frontiers","2019","6","4","544","","10.1039/C8QO01290C","","","0.71073","MoKα","","0.0794","0.0469","","","0.098","0.1102","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554564","5.712","0.004","15.28","0.013","8.28","0.005","90","","104.192","0.015","90","","700.6","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Sun, Yongjie; Jiang, Jun; Guo, Xiaochong; Wen, Jialin; Zhang, Xumu","Asymmetric hydrogenation of α,β-unsaturated sulfones by a rhodium/thiourea–bisphosphine complex","Organic Chemistry Frontiers","2019","6","9","1438","","10.1039/C8QO01291A","","x-ray","0.71073","MoKα","","0.0256","0.0246","","","0.0619","0.0623","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554565","13.6813","0.0019","13.6813","0.0019","29.053","0.006","90","","90","","90","","5438.1","1.5","173","2","173.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C256 H216 N8 O32 S8 -","8","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0573","0.0562","","","0.1116","0.1119","","","","","","1.238","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554566","11.043","0.003","14.753","0.005","17.258","0.005","90","","90","","90","","2811.6","1.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0804","0.0755","","","0.1196","0.1217","","","","","","1.27","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554567","9.1375","0.0001","13.1527","0.0002","16.354","0.0003","95.187","0.001","95.294","0.001","103.04","0.001","1894.04","0.05","100","0.18","100","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","2","","Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin","Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae","Organic Chemistry Frontiers","2019","6","5","591","","10.1039/C8QO01306C","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.0984","0.1009","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554568","13.8718","0.0006","9.6965","0.0005","13.8978","0.0007","90","","92.204","0.004","90","","1867.98","0.16","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C18 H17 Cl3 O5 -","- C18 H17 Cl3 O5 -","- C72 H68 Cl12 O20 -","4","2","","Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin","Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae","Organic Chemistry Frontiers","2019","6","5","591","","10.1039/C8QO01306C","","x-ray","1.54184","CuKα","","0.0925","0.0821","","","0.2023","0.2154","","","","","","1.063","","","","has coordinates","237352","2020-10-21","18:00:00",""
"1554569","21.469","0.004","29.096","0.006","28.543","0.006","90","","95.17","0.03","90","","17757","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H203 N13 O10 P2 -","- C172 H203 N13 O10 P2 -","- C688 H812 N52 O40 P8 -","4","0.5","","Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung","Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers","Organic Chemistry Frontiers","2019","6","3","299","","10.1039/C8QO01307A","","","0.7","synchrotron","","0.1761","0.0712","","","0.1519","0.1857","","","","","","0.828","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554570","21.505","0.004","29.114","0.006","28.751","0.006","90","","94.83","0.03","90","","17937","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Inverted_pyridine_heptamer","","- C173 H203 N13 O10 P2 -","- C173 H203 N13 O10 P2 -","- C692 H812 N52 O40 P8 -","4","0.5","","Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung","Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers","Organic Chemistry Frontiers","2019","6","3","299","","10.1039/C8QO01307A","","","0.7","synchrotron","","0.1314","0.0904","","","0.2576","0.2822","","","","","","1.017","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554571","8.968","0.0015","9.084","0.0016","14.804","0.002","90","","105.357","0.004","90","","1163","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Zu, Weisai; Liu, Shuai; Jia, Xin; Xu, Liang","Chemoselective N-arylation of aminobenzene sulfonamides via copper catalysed Chan–Evans–Lam reactions","Organic Chemistry Frontiers","2019","6","9","1356","","10.1039/C8QO01313F","","","0.71073","MoKα","","0.0587","0.0416","","","0.0921","0.1012","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554572","8.0275","0.0015","8.0254","0.0017","12.699","0.003","90","","101.787","0.007","90","","800.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","","Zhao, Zi-Biao; Shi, Lei; Meng, Fan-Jie; Li, Yaming; Zhou, Yong-Gui","Synthesis of chiral seven-membered cyclic sulfonamides through palladium-catalyzed arylation of cyclic imines","Organic Chemistry Frontiers","2019","6","10","1572","","10.1039/C8QO01323C","","","0.71073","MoKα","","0.0292","0.0285","","","0.0777","0.0784","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554573","6.9308","0.0008","6.9507","0.0008","11.8464","0.0014","84.194","0.006","79.023","0.006","64.094","0.006","503.84","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C20 H26 N2 O6 -","2","2","","Yang, Wu-Lin; Sun, Zhong-Tao; Zhang, Jian; Li, Zhong; Deng, Wei-Ping","Enantioselective synthesis of 3-amino-hydrobenzofuran-2,5-diones via Cu(i)-catalyzed intramolecular conjugate addition of imino esters","Organic Chemistry Frontiers","2019","6","5","579","","10.1039/C8QO01335G","","","1.54178","CuKα","","0.0598","0.0514","","","0.1367","0.1453","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554574","15.1538","0.0003","13.5668","0.0003","27.2737","0.0005","90","","92.794","0.002","90","","5600.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mikki_PCM2_09_04_17","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","1.54178","CuKα","","0.1467","0.1071","","","0.2924","0.3259","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554575","15.0627","0.0008","13.3599","0.0007","27.1554","0.0019","90","","94.396","0.007","90","","5448.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","0.71075","MoKα","","0.1679","0.1101","","","0.2937","0.338","","","","","","1.112","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554576","7.15","0.005","11.643","0.007","12.098","0.008","90","","95.268","0.013","90","","1002.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","","Cao, Yuan; Liu, Jie; Liu, Fanmin; Jiang, Lvqi; Yi, Wenbin","Copper-catalyzed direct and odorless selenylation with a sodium selenite-based reagent","Organic Chemistry Frontiers","2019","6","6","825","","10.1039/C8QO01355A","","","0.71073","MoKα","","0.0668","0.0388","","","0.0928","0.1044","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554577","5.799","0.003","7.486","0.004","10.479","0.006","90","","104.17","0.04","90","","441.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 F3 N2 -","- C9 H9 F3 N2 -","- C18 H18 F6 N4 -","2","1","","Chen, Mu-Wang; Deng, Zhihong; Yang, Qin; Huang, Jian; Peng, Yiyuan","Enantioselective synthesis of trifluoromethylated dihydroquinoxalinones via palladium-catalyzed hydrogenation","Organic Chemistry Frontiers","2019","6","6","746","","10.1039/C8QO01361F","","","1.54178","CuKα","","0.2357","0.0964","","","0.2635","0.3757","","","","","","1.398","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554578","9.1297","0.0008","10.326","0.0009","24.127","0.0018","90","","90","","90","","2274.5","0.3","123.2","0.2","123.2","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Xu, Lubin; Chen, Haohua; Liu, Jian; Zhou, Lan; Liu, Qing; Lan, Yu; Xiao, Jian","Chiral phosphoric acid-catalyzed asymmetric C(sp3)–H functionalization of biomass-derived 2,5-dimethylfuran via two sequential Cope-type rearrangements","Organic Chemistry Frontiers","2019","6","8","1162","","10.1039/C8QO01375F","","","1.54184","CuKα","","0.0767","0.0574","","","0.1248","0.1388","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554579","32.1461","0.0004","11.483","0.0001","8.0162","0.0001","90","","90","","90","","2959.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 O11 -","- C31 H42 O11 -","- C124 H168 O44 -","4","1","","Zhang, Jia; He, Jun; Cheng, Yung-Chi; Zhang, Pei-Cheng; Yan, Yu; Zhang, Hao-Jun; Zhang, Wei-Ku; Xu, Jie-Kun","Fischernolides A–D, four novel diterpene-based meroterpenoid scaffolds with antitumor activities from Euphorbia fischeriana","Organic Chemistry Frontiers","2019","6","14","2312","","10.1039/C8QO01379A","","","1.54184","CuKα","","0.0384","0.0379","","","0.1","0.1004","","","","","","1.1","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1554580","11.351","0.002","11.9996","0.0017","21.215","0.003","90","","90","","90","","2889.6","0.8","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Cl N5 O -","- C35 H26 Cl N5 O -","- C140 H104 Cl4 N20 O4 -","4","1","","Sun, Bing-Bing; Zhang, Jun-Qi; Chen, Jun-Bo; Fan, Wei-Tai; Yu, Jie-Qiang; Hu, Jia-Ming; Wang, Xing-Wang","Stereoselective synthesis of spirocyclohexadiene-pyrazolones via organic base and/or hydrogen bonding assisted [3 + 3] annulation reactions","Organic Chemistry Frontiers","2019","6","11","1842","","10.1039/C8QO01391H","","","0.71073","MoKα","","0.0864","0.064","","","0.1786","0.192","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554581","9.3289","0.0004","10.9229","0.0005","12.8668","0.0006","87.237","0.001","78.614","0.001","85.681","0.001","1280.91","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl N4 O -","- C33 H23 Cl N4 O -","- C66 H46 Cl2 N8 O2 -","2","1","","Sun, Bing-Bing; Zhang, Jun-Qi; Chen, Jun-Bo; Fan, Wei-Tai; Yu, Jie-Qiang; Hu, Jia-Ming; Wang, Xing-Wang","Stereoselective synthesis of spirocyclohexadiene-pyrazolones via organic base and/or hydrogen bonding assisted [3 + 3] annulation reactions","Organic Chemistry Frontiers","2019","6","11","1842","","10.1039/C8QO01391H","","","0.71073","MoKα","","0.0479","0.0369","","","0.1022","0.1242","","","","","","1.148","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554582","7.9193","0.0001","15.3744","0.0002","16.4929","0.0002","90","","90","","90","","2008.08","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F3 N O4 S -","- C16 H14 F3 N O4 S -","- C64 H56 F12 N4 O16 S4 -","4","1","","Gui, Yang; Liang, Xinping; Li, Yanan; Li, Kuiliang; Zha, Zhenggen; Wang, Zhiyong","Asymmetric synthesis of fluoroalkylated N,O-ketals via an organocatalytic dehydration/aminalization/aza-Michael desymmetrization","Organic Chemistry Frontiers","2019","6","7","942","","10.1039/C8QO01397G","","","1.54184","CuKα","","0.0407","0.0401","","","0.1113","0.1125","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554583","28.168","0.003","11.3424","0.0013","10.2126","0.0012","90","","90","","90","","3262.9","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Br N O4 P2 -","- C36 H32 Br N O4 P2 -","- C144 H128 Br4 N4 O16 P8 -","4","1","","Liu, Bing; Li, Wenbo; Wu, Hai-Hong; Zhang, Junliang","Enantiodivergent synthesis of 1,2-bis(diphenylphosphino)ethanes via asymmetric [3 + 2]-cycloaddition","Organic Chemistry Frontiers","2019","6","5","694","","10.1039/C8QO01404C","","","0.71073","MoKα","","0.0996","0.0581","","","0.1202","0.1385","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554584","9.2282","0.0014","9.1743","0.0014","12.829","0.002","90","","109.724","0.003","90","","1022.4","0.3","120.15","","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C44 H40 Br2 N6 O8 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0514","0.0326","","","0.066","0.073","","","","","","0.839","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554585","9.6264","0.0013","10.858","0.0014","11.2163","0.0014","90","","113.736","0.002","90","","1073.2","0.2","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0865","0.0496","","","0.0988","0.1161","","","","","","1.057","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554586","11.431","0.006","5.931","0.003","25.849","0.014","90","","94.751","0.01","90","","1746.5","1.6","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F3 N O3 -","- C17 H20 F3 N O3 -","- C68 H80 F12 N4 O12 -","4","1","","Gupta, Ekta; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Additive-free regio- and diastereoselective construction of fully-substituted isoxazolidines employing diazo compounds","Organic Chemistry Frontiers","2019","6","8","1109","","10.1039/C8QO01421C","","","0.71075","MoKα","","0.1224","0.0596","","","0.1498","0.1776","","","","","","0.912","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554587","11.218","0.003","12.296","0.003","16.82","0.005","108.32","0.02","101.98","0.03","102.65","0.02","2051.1","1.1","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C84 H84 F18 N6 O12 -","6","3","","Gupta, Ekta; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Additive-free regio- and diastereoselective construction of fully-substituted isoxazolidines employing diazo compounds","Organic Chemistry Frontiers","2019","6","8","1109","","10.1039/C8QO01421C","","","0.71075","MoKα","","0.1716","0.0555","","","0.1396","0.1588","","","","","","0.595","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554694","38.372","0.011","43.842","0.012","41.771","0.012","90","","101.834","0.003","90","","68778","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C260 H202 Cu4 N16 O23 -","- C260 H202 Cu4 N16 O23 -","- C2080 H1616 Cu32 N128 O184 -","8","2","","Maehara, Takeshi; Sekiya, Ryo; Harada, Kentaro; Haino, Takeharu","Tunable enforced cavities inside self-assembled capsules","Organic Chemistry Frontiers","2019","6","10","1561","","10.1039/C9QO00010K","","","0.71073","MoKα","","0.4241","0.2119","","","0.4543","0.5367","","","","","","1.066","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554695","10.7588","0.0007","13.1415","0.0008","15.339","0.001","106.956","0.001","100.938","0.001","91.717","0.001","2028.3","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B Cl4 Cu F4 N4 -","- C40 H40 B Cl4 Cu F4 N4 -","- C80 H80 B2 Cl8 Cu2 F8 N8 -","2","1","","Maehara, Takeshi; Sekiya, Ryo; Harada, Kentaro; Haino, Takeharu","Tunable enforced cavities inside self-assembled capsules","Organic Chemistry Frontiers","2019","6","10","1561","","10.1039/C9QO00010K","","","0.71073","MoKα","","0.0384","0.034","","","0.0882","0.0912","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554696","9.0064","0.0003","9.7885","0.0003","30.9078","0.0011","90","","90","","90","","2724.81","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","- C31 H29 Cl N2 O4 -","- C31 H29 Cl N2 O4 -","- C124 H116 Cl4 N8 O16 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Ju, Wan-Zhen; Wang, Yi-Feng; Chen, Xue-Yang; Xu, Dan-Qian; Xu, Zhen-Yuan","Asymmetric organocatalytic conjugated addition of pyrazolin-5-ones to ortho-quinomethanes: construction of vicinal tertiary and all-carbon quaternary stereocenters","Organic Chemistry Frontiers","2019","6","8","1140","","10.1039/C9QO00011A","","","0.71073","MoKα","","0.0615","0.0448","","","0.1069","0.1185","","","","","","1.083","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554697","36.594","0.002","7.353","0.003","28.802","0.003","90","","123.87","0.03","90","","6435","4","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C63.5 H60 N6 O14.5 -","- C63.5 H60 N6 O14.5 -","- C254 H240 N24 O58 -","4","1","","Ren, Demin; Liu, Bin; Li, Xiaofang; Koniarz, Sebastian; Pawlicki, Miłosz; Chmielewski, Piotr J.","Reactions of 2-aza-21-carbaporphyrin with aniline derivatives","Organic Chemistry Frontiers","2019","6","7","908","","10.1039/C9QO00024K","","","0.71073","MoKα","","0.0922","0.0634","","","0.1522","0.1703","","","","","","1.036","","","","has coordinates,has disorder","238060","2020-10-21","18:00:00",""
"1554698","33.74","0.002","12.9479","0.0008","14.8229","0.0008","90","","100.325","0.006","90","","6370.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H72 N6 O6 -","- C79 H72 N6 O6 -","- C316 H288 N24 O24 -","4","1","","Ren, Demin; Liu, Bin; Li, Xiaofang; Koniarz, Sebastian; Pawlicki, Miłosz; Chmielewski, Piotr J.","Reactions of 2-aza-21-carbaporphyrin with aniline derivatives","Organic Chemistry Frontiers","2019","6","7","908","","10.1039/C9QO00024K","","","1.54184","CuKα","","0.1186","0.0678","","","0.1572","0.1707","","","","","","0.867","","","","has coordinates,has disorder","238060","2020-10-21","18:00:00",""
"1554699","6.9921","0.0003","11.2113","0.0006","12.4434","0.0007","96.443","0.002","95.376","0.002","95.626","0.002","959.19","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Br2 F N O3 S -","- C18 H16 Br2 F N O3 S -","- C36 H32 Br4 F2 N2 O6 S2 -","2","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0551","0.0479","","","0.1414","0.1485","","","","","","0.897","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554700","18.258","0.002","13.081","0.0013","15.4466","0.0014","90","","91.845","0.003","90","","3687.2","0.6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C152 H160 Cl8 N8 O24 S8 -","8","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0535","0.0488","","","0.139","0.1434","","","","","","1.123","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554701","7.4466","0.0005","24.7338","0.0015","9.6421","0.0005","90","","104.56","0.002","90","","1718.87","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O7 S -","- C17 H14 N2 O7 S -","- C68 H56 N8 O28 S4 -","4","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0624","0.0435","","","0.1037","0.1128","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554702","10.994","0.013","12.052","0.015","16.9","0.02","95.131","0.011","99.76","0.011","103.107","0.011","2130","4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","2","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.2175","0.0973","","","0.2554","0.3338","","","","","","0.929","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554703","8.2985","0.0003","12.4303","0.0006","19.4432","0.0008","90","","101.322","0.001","90","","1966.59","0.14","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br3 N O2 S -","- C17 H16 Br3 N O2 S -","- C68 H64 Br12 N4 O8 S4 -","4","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.047","0.0394","","","0.0993","0.1036","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554704","6.9458","0.0002","10.9848","0.0002","12.6203","0.0004","95.166","0.002","94.677","0.002","97.68","0.002","946.11","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Br3 N O3 S -","- C17 H14 Br3 N O3 S -","- C34 H28 Br6 N2 O6 S2 -","2","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0809","0.0509","","","0.1129","0.1223","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554705","6.5927","0.0001","24.4163","0.0004","9.1339","0.0002","90","","108.268","0.002","90","","1396.18","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","1","","Zhu, Chuanle; Liu, Chi; Zeng, Hao; Chen, Fulin; Jiang, Huanfeng","Transition-metal free selective C(α)–C(β) bond cleavage of trifluoromethyl ketones with amidines under air: facile access to 5-trifluoromethylated Imidazol-4-ones","Organic Chemistry Frontiers","2019","6","6","858","","10.1039/C9QO00029A","","x-ray","1.54184","CuKα","","0.0517","0.047","","","0.1251","0.1316","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554706","25.9456","0.0005","8.8451","0.0003","23.3704","0.0007","90","","101.146","0.003","90","","5262.1","0.3","293","1","293","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 Cl N5 O8 -","- C21 H22 Cl N5 O8 -","- C168 H176 Cl8 N40 O64 -","8","2","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","1.54184","CuKα","","0.0667","0.0641","","","0.1749","0.1781","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554707","14.6444","0.0002","19.027","0.0003","9.2992","0.0001","90","","98.115","0.001","90","","2565.17","0.06","291.42","0.1","291.42","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl N5 O9 -","- C22 H26 Cl N5 O9 -","- C88 H104 Cl4 N20 O36 -","4","1","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","1.54184","CuKα","","0.0747","0.0664","","","0.185","0.1976","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554708","8.9522","0.0004","12.3288","0.0005","12.6211","0.0005","103.938","0.003","101.104","0.004","102.417","0.004","1275.71","0.1","291.69","0.1","291.69","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N5 O8 -","- C25 H22 Cl N5 O8 -","- C50 H44 Cl2 N10 O16 -","2","1","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","0.71073","MoKα","","0.0608","0.0503","","","0.1244","0.1314","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554709","9.4007","0.0002","10.8468","0.0002","21.7267","0.0005","90","","90","","90","","2215.42","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Shen, Guoli; Khan, Ruhima; Lv, Haiping; Yang, Yong; Zhang, Xia; Zhan, Yong; Zhou, Yongyun; Fan, Baomin","Palladium/silver co-catalyzed syn-stereoselective asymmetric ring-opening reactions of azabenzonorbornadienes with amides","Organic Chemistry Frontiers","2019","6","9","1423","","10.1039/C9QO00041K","","","1.54178","CuKα","","0.0365","0.0364","","","0.0944","0.0946","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554710","7.4893","0.0009","3.8493","0.0004","19.835","0.002","90","","94.273","0.004","90","","570.23","0.11","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F2 S2 -","- C14 H8 F2 S2 -","- C28 H16 F4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","0.71073","MoKα","","0.0902","0.0787","","","0.1626","0.1703","","","","","","1.342","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554711","5.9315","0.0006","4.9497","0.0005","18.794","0.002","90","","95.89","0.004","90","","548.86","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F N2 S2 -","- C12 H6 F N2 S2 -","- C24 H12 F2 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","0.71073","MoKα","","0.0928","0.0818","","","0.1515","0.159","","","","","","1.174","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554712","5.7427","0.0003","5.5541","0.0003","17.1753","0.0008","90","","90.509","0.002","90","","547.79","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F2 N2 S2 -","- C12 H6 F2 N2 S2 -","- C24 H12 F4 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","1.54178","CuKα","","0.035","0.0315","","","0.0832","0.085","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554713","6.2999","0.0003","5.0655","0.0003","18.6515","0.0011","90","","90.341","0.002","90","","595.2","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F4 S2 -","- C14 H6 F4 S2 -","- C28 H12 F8 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0472","0.0429","","","0.1048","0.107","","","","","","1.147","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554714","9.3302","0.0004","12.3529","0.0005","14.5826","0.0005","90","","106.185","0.001","90","","1614.11","0.11","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F N2 S2 Si2 -","- C30 H46 F N2 S2 Si2 -","- C60 H92 F2 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0331","0.0296","","","0.0737","0.0757","","","","","","1.085","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554715","9.2882","0.0002","12.3511","0.0003","14.5307","0.0004","90","","105.826","0.001","90","","1603.77","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N2 S2 Si2 -","- C30 H48 N2 S2 Si2 -","- C60 H96 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0422","0.0363","","","0.0877","0.0915","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554716","5.0225","0.0008","7.1949","0.0014","17.29","0.003","84.549","0.003","83.096","0.002","70.873","0.002","584.99","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 F4 N2 S2 -","- C12 H4 F4 N2 S2 -","- C24 H8 F8 N4 S4 -","2","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","0.71073","MoKα","","0.0294","0.0266","","","0.066","0.0681","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554717","9.3622","0.0003","12.3591","0.0004","14.6437","0.0004","90","","106.674","0.001","90","","1623.15","0.09","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F2 N2 S2 Si2 -","- C30 H46 F2 N2 S2 Si2 -","- C60 H92 F4 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0311","0.0282","","","0.0717","0.0738","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554718","3.8093","0.0003","6.6644","0.0004","21.5126","0.0015","90","","94.338","0.004","90","","544.57","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 F N2 S2 -","- C12 H5 F N2 S2 -","- C24 H10 F2 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0979","0.0846","","","0.1564","0.1609","","","","","","1.314","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554719","19.9633","0.0007","12.2859","0.0004","13.3676","0.0005","90","","90","","90","","3278.6","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H44 F4 N2 S2 Si2 -","- C30 H44 F4 N2 S2 Si2 -","- C120 H176 F16 N8 S8 Si8 -","4","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0235","0.0222","","","0.0557","0.0563","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554720","6.6214","0.0004","25.6046","0.0015","7.2049","0.0004","90","","116.456","0.004","90","","1093.59","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F2 N2 S2 -","- C12 H6 F2 N2 S2 -","- C48 H24 F8 N8 S8 -","4","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0631","0.0591","","","0.1451","0.1468","","","","","","1.244","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554721","3.8531","0.0006","23.868","0.003","6.121","0.0009","90","","95.29","0.003","90","","560.53","0.14","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F4 N2 S2 -","- C12 H4 F4 N2 S2 -","- C24 H8 F8 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","0.71073","MoKα","","0.032","0.0301","","","0.0761","0.0773","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554722","15.9825","0.0007","9.7302","0.0004","13.6524","0.0004","90","","90","","90","","2123.12","0.14","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0265","0.0256","","","0.0616","0.0621","","","","","","1.104","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554723","10.2239","0.0005","11.009","0.0006","11.0538","0.0006","73.729","0.005","86.05","0.005","65.798","0.005","1087.85","0.11","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O2 -","- C29 H28 O2 -","- C58 H56 O4 -","2","1","","Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa","Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes","Organic Chemistry Frontiers","2019","6","8","1118","","10.1039/C9QO00045C","","x-ray","0.71073","MoKα","","0.0577","0.0458","","","0.1096","0.1198","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554724","11.5269","0.0006","6.9766","0.0004","23.812","0.0012","90","","98.369","0.005","90","","1894.54","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa","Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes","Organic Chemistry Frontiers","2019","6","8","1118","","10.1039/C9QO00045C","","x-ray","0.71073","MoKα","","0.0474","0.0398","","","0.0945","0.0991","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554725","22.035","0.012","15.426","0.007","17.593","0.01","90","","121.518","0.007","90","","5098","5","273","2","273","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","C60(OCH2CH2F)8","","- C76 H32 F8 O8 -","- C76 H32 F8 O8 -","- C304 H128 F32 O32 -","4","0.5","","Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka","Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study","Organic Chemistry Frontiers","2019","6","9","1372","","10.1039/C9QO00056A","","x-ray","0.71073","MoKα","","0.1435","0.0915","","","0.1406","0.1721","","","","","","1.054","","","","has coordinates","238077","2020-10-21","18:00:00",""
"1554726","21.782","","13.957","","24.511","","90","","110.66","","90","","6972.41","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","C60(OCH2CCl3)8","","- C76 H16 Cl24 O8 -","- C76 H16 Cl24 O8 -","- C304 H64 Cl96 O32 -","4","1","","Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka","Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study","Organic Chemistry Frontiers","2019","6","9","1372","","10.1039/C9QO00056A","","x-ray","0.71073","MoKα","","0.1543","0.1397","","","0.318","0.3292","","","","","","1.1","","","","has coordinates,has disorder","238077","2020-10-21","18:00:00",""
"1554727","5.0429","0.001","11.88","0.002","25.83","0.005","90","","90","","90","","1547.5","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.710747","MoKα","","0.0274","0.026","","","0.0573","0.0583","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554728","6.5631","0.0014","12.796","0.003","18.385","0.004","90","","90","","90","","1544","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.71073","MoKα","","0.0529","0.0457","","","0.0763","0.0794","","","","","","1.147","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554729","16.191","0.002","17.7337","0.0007","8.5986","0.0011","90","","137.72","0.03","90","","1661","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 O2 P -","- C20 H17 O2 P -","- C80 H68 O8 P4 -","4","1","","Zhao, Xiuli; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Wu, Yangjie","Stepwise photosensitized C(sp3)–C(CO) bond cleavage and C–P bond formation of 1,3-dicarbonyls with arylphosphine oxides","Organic Chemistry Frontiers","2019","6","9","1433","","10.1039/C9QO00075E","","x-ray","1.54184","CuKα","","0.0405","0.0374","","","0.0923","0.0969","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554730","12.1117","0.001","15.5259","0.0012","21.575","0.0018","95.307","0.003","97.116","0.003","101.212","0.002","3920.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 Cl O2 -","- C34 H25 Cl O2 -","- C204 H150 Cl6 O12 -","6","3","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1596","0.0874","","","0.2316","0.267","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554731","10.7141","0.0009","20.1653","0.0017","12.3094","0.0013","90","","107.329","0.003","90","","2538.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N2 O6 -","- C32 H20 N2 O6 -","- C128 H80 N8 O24 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1205","0.0617","","","0.1276","0.1499","","","","","","1.02","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554732","10.602","0.0012","20.505","0.002","12.2951","0.0013","90","","114.94","0.003","90","","2423.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Br O2 -","- C32 H21 Br O2 -","- C128 H84 Br4 O8 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.0894","0.0454","","","0.0939","0.1076","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554733","9.998","0.007","15.063","0.011","15.716","0.011","63.252","0.013","83.527","0.015","76.536","0.016","2055","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 Cl O -","- C26 H19 Cl O -","- C104 H76 Cl4 O4 -","4","2","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.4157","0.1326","","","0.2689","0.3894","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554734","13.3814","0.001","10.6318","0.0008","19.2274","0.0016","90","","92.604","0.003","90","","2732.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br O4 -","- C34 H25 Br O4 -","- C136 H100 Br4 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1384","0.0531","","","0.1044","0.1301","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554735","9.3743","0.0005","13.379","0.0007","14.9327","0.0008","81.008","0.001","89.658","0.001","80.276","0.001","1822.85","0.17","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C32 H33 Cl3 N4 Ni O4 -","- C32 H33 Cl3 N4 Ni O4 -","- C64 H66 Cl6 N8 Ni2 O8 -","2","2","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0609","0.0545","","","0.146","0.1513","","","","","","1.037","","","","has coordinates,has disorder","238086","2020-10-21","18:00:00",""
"1554736","9.846","0.0004","12.0451","0.0005","14.2648","0.0006","90","","110.181","0.001","90","","1587.89","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 N3 Ni O4 -","- C37 H39 N3 Ni O4 -","- C74 H78 N6 Ni2 O8 -","2","1","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin–olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.045","0.0372","","","0.0864","0.0899","","","","","","1.005","","","","has coordinates,has disorder","300101","2025-06-17","17:58:11",""
"1554737","11.452","0.0009","13.8346","0.0012","22.8016","0.0019","90","","90","","90","","3612.5","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl4 N3 Ni O3 -","- C36 H39 Cl4 N3 Ni O3 -","- C144 H156 Cl16 N12 Ni4 O12 -","4","1","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0869","0.0634","","","0.1587","0.1773","","","","","","1.031","","","","has coordinates","238086","2020-10-21","18:00:00",""
"1554738","5.459","0.0003","7.8884","0.0003","51.7461","0.0018","90","","90","","90","","2228.33","0.17","295","2","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Xin, Xiaodong; Pan, Xinhui; Meng, Zhilin; Liu, Xigong; Liu, Lei","Catalytic enantioselective cross-dehydrogenative coupling of 3,6-dihydro-2H-pyrans with aldehydes","Organic Chemistry Frontiers","2019","6","9","1448","","10.1039/C9QO00123A","","x-ray","1.54184","CuKα","","0.0752","0.068","","","0.1962","0.2027","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554739","12.1948","0.0012","18.8246","0.001","10.1822","0.0008","90","","105.486","0.009","90","","2252.6","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C92 H76 Br4 N8 O12 S4 -","4","1","","Xu, Ze-Feng; Shan, Lihong; Zhang, Wan; Cen, Mengjie; Li, Chuan-Ying","Synthesis of α-aminoketones from N-sulfonyl-1,2,3-triazoles via N-sulfinyl imines generated by intramolecular oxygen transfer","Organic Chemistry Frontiers","2019","6","9","1391","","10.1039/C9QO00126C","","","0.71073","MoKα","","0.0601","0.041","","","0.0929","0.1025","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554740","17.41181","0.00011","27.6471","0.00016","17.61491","0.00011","90","","90","","90","","8479.57","0.09","100","0.1","100","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C43 H36 N4 O9 -","- C43 H36 N4 O9 -","- C344 H288 N32 O72 -","8","1","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0335","0.0331","","","0.0899","0.0905","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554741","29.1304","0.0003","17.2687","0.0001","17.7328","0.0001","90","","103.665","0.001","90","","8667.88","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H37.5 N4 O9 -","- C40 H37.5 N4 O9 -","- C320 H300 N32 O72 -","8","2","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0509","0.0499","","","0.1465","0.1481","","","","","","1.08","","","","has coordinates","238091","2020-10-21","18:00:00",""
"1554742","8.1722","0.0005","16.0848","0.0007","9.1272","0.0006","90","","95.0903","0.0016","90","","1195.02","0.12","123","","123","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H26 Cl2 Hf -","- C31 H26 Cl2 Hf -","- C62 H52 Cl4 Hf2 -","2","0.5","","Amaya, Toru; Katoh, Shun; Moriuchi, Toshiyuki; Hirao, Toshikazu","Synthesis of a sumanenyl hafnocene complex","Organic Chemistry Frontiers","2019","6","7","1032","","10.1039/C9QO00140A","","","0.71075","MoKα","","0.0464","0.0326","","","0.0619","0.0847","","","","","","1.234","","","","has coordinates","238093","2020-10-21","18:00:00",""
"1554743","7.272","0.0015","12.369","0.003","12.296","0.003","90","","105.99","0.03","90","","1063.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1439","0.0602","","","0.0651","0.0808","","","","","","0.954","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554744","17.407","0.003","17.407","0.003","17.977","0.004","90","","90","","120","","4717.3","1.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C30 H43 N O7 -","- C30 H43 N O7 -","- C180 H258 N6 O42 -","6","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.2159","0.0896","","","0.1926","0.2444","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554745","7.323","0.0015","12.384","0.003","12.233","0.002","90","","106.42","0.03","90","","1064.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O5 -","- C24 H34 O5 -","- C48 H68 O10 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.0928","0.059","","","0.1519","0.1751","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554746","10.391","0.002","12.429","0.003","18.269","0.004","90","","90","","90","","2359.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1157","0.0623","","","0.139","0.1676","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554747","13.0109","0.0008","11.5329","0.0005","16.1284","0.0009","90","","109.629","0.006","90","","2279.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl3 N2 O2 S -","- C25 H17 Cl3 N2 O2 S -","- C100 H68 Cl12 N8 O8 S4 -","4","1","","Wang, Shengzheng; Guo, Zhongjie; Wu, Ying; Liu, Wei; Liu, Xueying; Zhang, Shengyong; Sheng, Chunquan","Organocatalytic asymmetric synthesis of highly functionalized spiro-thiazolone–cyclopropane-oxindoles bearing two vicinal spiro quaternary centers","Organic Chemistry Frontiers","2019","6","9","1442","","10.1039/C9QO00145J","","","1.54184","CuKα","","0.1366","0.1264","","","0.3338","0.338","","","","","","1.073","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554748","13.41045","0.0001","13.41045","0.0001","40.0935","0.0005","90","","90","","90","","7210.42","0.12","120","0.16","120","0.16","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H34 I3 N3 -","- C40 H34 I3 N3 -","- C320 H272 I24 N24 -","8","1","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1136","0.1189","","","","","","1.106","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554749","32.9899","0.0005","32.9899","0.0005","14.3593","0.0004","90","","90","","90","","15627.7","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C152 H120 B4 F16 N8 Pd2 -","- C152 H120 B4 F16 N8 Pd2 -","- C608 H480 B16 F64 N32 Pd8 -","4","0.5","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","1.54184","CuKα","","0.0997","0.0861","","","0.2445","0.2598","","","","","","1.031","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554750","46.6905","0.0008","26.3232","0.0003","31.9982","0.0005","90","","97.75","0.002","90","","38968","1","120.01","0.1","120.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C280 H248 F24 N8 O27 P8 Pd4 S8 -","- C280 H248 F24 N8 O27 P8 Pd4 S8 -","- C1120 H992 F96 N32 O108 P32 Pd16 S32 -","4","0.5","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","1.54184","CuKα","","0.0992","0.0815","","","0.2423","0.2681","","","","","","1.033","","","","has coordinates,has disorder","238098","2020-10-21","18:00:00",""
"1554751","12.4931","0.0005","18.1989","0.0007","20.9673","0.0008","89.537","0.002","87.89","0.003","72.498","0.002","4543.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 N22 Na O21 S2 -","- C62 H74 N22 Na O21 S2 -","- C124 H148 N44 Na2 O42 S4 -","2","1","","Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan","Functionalisable acyclic cucurbiturils","Organic Chemistry Frontiers","2019","6","10","1555","","10.1039/C9QO00156E","","","1.54178","CuKα","","0.189","0.1246","","","0.282","0.3217","","","","","","1.037","","","","has coordinates,has disorder","238100","2020-10-21","18:00:00",""
"1554752","19.1042","0.0009","43.808","0.002","23.0275","0.0011","90","","90","","90","","19272.1","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C512 H576 Cl16 N144 Na16 O152 S16 -","8","1","","Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan","Functionalisable acyclic cucurbiturils","Organic Chemistry Frontiers","2019","6","10","1555","","10.1039/C9QO00156E","","","1.54178","CuKα","","0.1383","0.1112","","","0.3068","0.3181","","","","","","2.172","","","","has coordinates,has disorder","238100","2020-10-21","18:00:00",""
"1554754","17.6358","0.0009","25.0174","0.0012","26.064","0.0013","90","","109.616","0.002","90","","10832.1","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H150 F12 N2 O18 P2 -","- C108 H150 F12 N2 O18 P2 -","- C432 H600 F48 N8 O72 P8 -","4","1","","Li, Dong-Hao; Yang, Liu-Pan; Chai, Hongxin; Jia, Fei; Ke, Hua; Jiang, Wei","Temperature-induced large amplitude conformational change in the complex of oxatub[4]arene revealed via rotaxane synthesis","Organic Chemistry Frontiers","2019","6","7","1027","","10.1039/C9QO00159J","","","1.54178","CuKα","","0.0681","0.0598","","","0.1741","0.1847","","","","","","1.052","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554757","12.1293","0.0006","8.5068","0.0004","15.8667","0.0009","90","","92.925","0.005","90","","1635.02","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 F5 N2 O2 -","- C19 H11 F5 N2 O2 -","- C76 H44 F20 N8 O8 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0718","0.0499","","","0.1058","0.1188","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554758","7.886","0.0004","9.5658","0.0007","11.4661","0.0007","86.429","0.005","79.097","0.005","77.958","0.006","830.42","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","1.54184","CuKα","","0.041","0.0396","","","0.1037","0.1047","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554759","8.0444","0.001","10.7234","0.0012","11.5467","0.0013","71.104","0.01","70.41","0.011","73.474","0.01","870.38","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl N3 O3 -","- C21 H16 Cl N3 O3 -","- C42 H32 Cl2 N6 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0759","0.0561","","","0.1276","0.1414","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554760","7.7358","0.0005","9.6039","0.0006","11.631","0.0007","85.647","0.005","76.146","0.005","78.816","0.005","822.65","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0588","0.0458","","","0.1048","0.1137","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554761","8.7562","0.0001","23.4732","0.0003","8.8632","0.0002","90","","92.21","0.002","90","","1820.35","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C88 H76 N12 O16 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","1.54184","CuKα","","0.0435","0.0382","","","0.0967","0.099","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554762","7.3959","0.0004","19.3566","0.0012","12.7098","0.0009","90","","91.147","0.006","90","","1819.2","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl F N3 O3 -","- C21 H15 Cl F N3 O3 -","- C84 H60 Cl4 F4 N12 O12 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1002","0.1079","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554763","15.9357","0.0008","13.7866","0.0008","11.8725","0.0007","90","","93.908","0.005","90","","2602.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 F6 N3 O4 -","- C29 H19 F6 N3 O4 -","- C116 H76 F24 N12 O16 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C–H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0902","0.0643","","","0.15","0.1664","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554766","15.267","0.009","19.087","0.01","24.39","0.015","87.94","0.03","83.839","0.018","73.08","0.02","6760","7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 Cl2 N4 O16 -","- C60 H78 Cl2 N4 O16 -","- C240 H312 Cl8 N16 O64 -","4","2","","Jordan, Jacobs H.; Wishard, Anthony; Mague, Joel T.; Gibb, Bruce C.","Binding properties and supramolecular polymerization of a water-soluble resorcin[4]arene","Organic Chemistry Frontiers","2019","6","8","1236","","10.1039/C9QO00182D","","","1.54184","CuKα","","0.1896","0.1646","","","0.4164","0.4366","","","","","","2.916","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1554768","9.9983","0.0002","16.3521","0.0004","19.4651","0.0005","102.163","0.001","90.869","0.001","105.091","0.001","2995.41","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6.21 H2.28 Cl0.48 N0.07 O0.28 S0 -","- C6.2069 H2.27586 Cl0.482759 N0.0689655 O0.275862 -","- C180 H66 Cl14 N2 O8 -","29","14.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","","0.6525","synchrotron","","0.0567","0.0545","","","0.1567","0.1595","","","","","","1.104","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554769","10.4701","0.0003","25.097","0.0011","16.2566","0.0006","90","","91.218","0.003","90","","4270.8","0.3","179.98","0.11","179.98","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H54 N2 O10 S2 -","- C143 H54 N2 O10 S2 -","- C286 H108 N4 O20 S4 -","2","0.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","","0.71073","MoKα","","0.0873","0.0613","","","0.1482","0.1617","","","","","","1.001","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554770","14.4203","0.0002","27.3088","0.0004","10.3569","0.0001","90","","94.182","0.001","90","","4067.7","0.09","180","0.1","180","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H22.75 N O4.88 S2 -","- C70 H22.734 N O4.867 S2 -","- C280 H90.936 N4 O19.468 S8 -","4","1","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0451","0.0433","","","0.1187","0.1202","","","","","","1.026","","","","has coordinates","238110","2020-10-21","18:00:00",""
"1554771","10.4366","0.0001","16.3952","0.0003","16.824","0.0003","110.869","0.001","99.019","0.001","100.619","0.001","2565.14","0.08","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H42.7 N O5.85 S2 -","- C81 H42.7 N O5.85 S2 -","- C162 H85.4 N2 O11.7 S4 -","2","1","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0856","0.0773","","","0.1924","0.197","","","","","","1.01","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554772","10.4595","0.0004","25.0584","0.001","16.2556","0.0007","90","","91.316","0.004","90","","4259.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H57.4 N2 O11.7 S2 -","- C143 H57.404 N2 O11.702 S2 -","- C286 H114.808 N4 O23.404 S4 -","2","0.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0924","0.0681","","","0.1553","0.1679","","","","","","1.027","","","","has coordinates","238110","2020-10-21","18:00:00",""
"1554775","13.3462","0.0004","10.2259","0.0003","12.0633","0.0004","90","","96.466","0.001","90","","1635.89","0.09","161","2","161","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C76 H80 N8 Se4 -","4","1","","Guo, Tao; Wei, Xu-Ning; Liu, Yu; Zhang, Pan-Ke; Zhao, Yun-Hui","Oxidative dual C–H selenation of imidazoheterocycles with ethers or alkanes using selenium powder via a radical pathway","Organic Chemistry Frontiers","2019","6","9","1414","","10.1039/C9QO00198K","","","1.54178","cukα","","0.0273","0.0261","","","0.0699","0.0712","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554777","8.4621","0.0005","19.7458","0.001","21.2129","0.001","90","","90","","90","","3544.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N O3 P -","- C21 H18 N O3 P -","- C168 H144 N8 O24 P8 -","8","2","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0849","0.0738","","","0.1871","0.1949","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554778","18.5757","0.0004","6.176","0.0002","18.9148","0.0005","90","","98.809","0.002","90","","2144.38","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N2 O2 P -","- C25 H23 N2 O2 P -","- C100 H92 N8 O8 P4 -","4","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0564","0.0408","","","0.0999","0.1093","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554779","29.394","0.003","6.3419","0.0005","28.119","0.003","90","","121.188","0.004","90","","4484.2","0.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H14.5 Cl1.5 F3 N2 O2 P -","- C22.5 H14 Cl1.5 F3 N2 O2 P -","- C180 H112 Cl12 F24 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.1045","0.0849","","","0.2236","0.2386","","","","","","1.086","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554780","24.331","0.004","10.2408","0.0018","14.54","0.003","90","","102.686","0.003","90","","3534.5","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N2 O2 P -","- C21 H15 N2 O2 P -","- C168 H120 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","0.71073","MoKα","","0.0568","0.0369","","","0.0955","0.1104","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554781","26.4131","0.0008","9.7872","0.0003","14.9148","0.0005","90","","115.7","0.001","90","","3474.22","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N2 O2 P -","- C21 H15 N2 O2 P -","- C168 H120 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0385","0.0346","","","0.093","0.0967","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554784","14.1538","0.0012","10.7714","0.0008","20.0319","0.0019","90","","90","","90","","3054","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C104 H144 N16 O16 S16 -","8","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.1567","0.0652","","","0.124","0.1493","","","","","","0.927","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554785","5.1535","0.0002","7.3073","0.0003","16.2864","0.0007","81.694","0.002","82.41","0.002","74.561","0.001","582.16","0.04","109","2","109","2","","","","","","","","4","P -1","-P 1","2","KH-195","","","- C11 H12 O4 S2 -","- C11 H12 O4 S2 -","- C22 H24 O8 S4 -","2","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0459","0.0367","","","0.0941","0.0995","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554786","19.6986","0.0013","10.9502","0.0008","16.5805","0.0011","90","","122.988","0.0017","90","","2999.9","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H38 O2 S2 -","- C36 H38 O2 S2 -","- C144 H152 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0457","0.0369","","","0.088","0.0921","","","","","","1.043","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554787","9.4599","0.0007","10.4995","0.0008","17.9405","0.0013","82.254","0.002","86.522","0.003","88.292","0.002","1762","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","KH-11","","","- C40 H46 O2 S2 -","- C40 H46 O2 S2 -","- C80 H92 O4 S4 -","2","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.066","0.0501","","","0.1333","0.1452","","","","","","1.045","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554788","11.3446","0.0008","17.747","0.0013","17.3945","0.0012","90","","97.039","0.002","90","","3475.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 O2 S2 -","- C41 H48 O2 S2 -","- C164 H192 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0798","0.0463","","","0.0976","0.1098","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554789","10.5966","0.0004","11.0075","0.0004","13.0168","0.0005","90","","103.286","0.0013","90","","1477.67","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C52 H72 N8 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0505","0.0407","","","0.0965","0.1012","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554790","14.4032","0.0007","9.233","0.0005","24.7181","0.0015","90","","93.6338","0.0015","90","","3280.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 O2 S2 -","- C37 H40 O2 S2 -","- C148 H160 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos – precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0599","0.0426","","","0.1038","0.1143","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554792","12.234","0.0011","10.9831","0.0011","14.6454","0.0014","90","","111.492","0.003","90","","1831","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 Se -","- C24 H12 F6 Se -","- C96 H48 F24 Se4 -","4","1","","Shi, Xinzhe; Mao, Shuxin; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Palladium-catalyzed successive C–H bond arylations and annulations toward the π-extension of selenophene-containing aromatic skeletons","Organic Chemistry Frontiers","2019","6","14","2398","","10.1039/C9QO00218A","","x-ray","0.71073","MoKα","","0.0331","0.0256","","","0.0625","0.0672","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554795","11.6434","0.0005","14.186","0.0005","17.6525","0.0006","90","","90","","90","","2915.72","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 Br F3 N2 O3 -","- C36 H23 Br F3 N2 O3 -","- C144 H92 Br4 F12 N8 O12 -","4","1","","Li, Boyu; Gao, Fengyun; Feng, Xing; Sun, Mengmeng; Guo, Yifei; Wen, Dongwa; Deng, Yabo; Huang, Jinqi; Wang, Kairong; Yan, Wenjin","Highly efficient enantioselective synthesis of bispiro[benzofuran-oxindole-pyrrolidine]s through organocatalytic cycloaddition","Organic Chemistry Frontiers","2019","6","10","1567","","10.1039/C9QO00241C","","","1.54178","CuKα","","0.0321","0.0315","","","0.0782","0.0786","","","","","","1.001","","","","has coordinates","238123","2020-10-21","18:00:00",""
"1554799","9.8327","0.0003","16.984","0.0006","16.2007","0.0005","90","","101.138","0.001","90","","2654.54","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A–C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0628","0.0615","","","0.1752","0.1773","","","","","","1.031","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554800","12.0011","0.0003","13.3921","0.0003","17.7454","0.0004","90","","90","","90","","2852.04","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A–C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0316","0.0316","","","0.0813","0.0814","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554801","9.6691","0.0001","16.4235","0.0001","15.94","0.0001","90","","101.09","","90","","2484.01","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A–C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0395","0.0391","","","0.1027","0.103","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554805","12.983","0.003","13.401","0.003","29.22","0.006","81.31","0.03","77.62","0.03","61.97","0.03","4376","2","301","2","301","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C162 H174 Au4 Cl16 O8 P4 -","- C162 H174 Au4 Cl16 O8 P4 -","- C162 H174 Au4 Cl16 O8 P4 -","1","0.5","","Hau, Franky Ka-Wah; Cheung, Kai-Leung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Calixarene-based alkynyl-bridged gold(i) isocyanide and phosphine complexes as building motifs for the construction of chemosensors and supramolecular architectures","Organic Chemistry Frontiers","2019","6","8","1205","","10.1039/C9QO00258H","","x-ray","0.71073","MoKα","","0.1285","0.0751","","","0.2182","0.2492","","","","","","0.97","","","","has coordinates","238128","2020-10-21","18:00:00",""
"1554807","10.4979","0.0007","10.7112","0.0007","10.8365","0.0007","60.7986","0.0016","76.2796","0.0017","71.3801","0.0017","1003.08","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5a in manuscript","","","- C27 H23 N O -","- C27 H23 N O -","- C54 H46 N2 O2 -","2","1","","Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy","Organic Chemistry Frontiers","2019","6","10","1655","","10.1039/C9QO00260J","","","0.71073","MoKα","","0.0956","0.0551","","","0.1259","0.1418","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554808","6.7344","0.0004","18.9552","0.0012","15.1244","0.0008","90","","90.856","0.004","90","","1930.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6a in manuscript","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","2","","Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy","Organic Chemistry Frontiers","2019","6","10","1655","","10.1039/C9QO00260J","","","1.54178","CuKα","","0.1004","0.0799","","","0.2324","0.2432","","","","","","1.578","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554811","9.7212","0.0001","10.3208","0.0001","28.5171","0.0003","90","","90","","90","","2861.14","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O7 -","- C34 H30 N2 O7 -","- C136 H120 N8 O28 -","4","1","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone–chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.081","0.0813","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554812","11.7466","0.0001","12.2636","0.0002","22.7319","0.0002","90","","93.091","0.001","90","","3269.89","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 F N3 O7 -","- C36 H32 F N3 O7 -","- C144 H128 F4 N12 O28 -","4","2","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone–chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0353","0.0345","","","0.0958","0.0964","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554816","6.2353","0.0004","7.7873","0.0004","17.3098","0.001","90","","90.759","0.003","90","","840.42","0.08","170","2","169.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br F3 O2 -","- C17 H16 Br F3 O2 -","- C34 H32 Br2 F6 O4 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0375","0.0343","","","0.0841","0.0874","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554817","10.6202","0.0004","6.377","0.0002","16.3385","0.0006","90","","98.252","0.001","90","","1095.07","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O7 S -","- C23 H21 N O7 S -","- C46 H42 N2 O14 S2 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","0.71073","MoKα","","0.054","0.0385","","","0.0991","0.1128","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554818","6.4981","0.0003","15.2542","0.0006","17.146","0.0006","90","","90","","90","","1699.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C72 H68 F12 O12 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.54178","CuKα","","0.0469","0.0445","","","0.1257","0.1298","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554819","15.277","0.0004","8.0788","0.0002","21.7171","0.0005","90","","98.481","0.001","90","","2651.01","0.11","170","2","169.96","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H31 Ag F6 N2 P2 -","- C24 H31 Ag F6 N2 P2 -","- C96 H124 Ag4 F24 N8 P8 -","4","2","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0435","0.0405","","","0.0968","0.0997","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554820","12.7111","0.0004","17.36","0.0006","15.7081","0.0005","90","","105.588","0.001","90","","3338.73","0.19","170","2","170.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Ag F6 N4 P2 -","- C31 H41 Ag F6 N4 P2 -","- C124 H164 Ag4 F24 N16 P8 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0437","0.0429","","","0.1263","0.1278","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554821","11.3702","0.0003","12.6386","0.0003","17.83","0.0005","90","","103.361","0.001","90","","2492.88","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Ag F3 N2 O P -","- C25 H31 Ag F3 N2 O P -","- C100 H124 Ag4 F12 N8 O4 P4 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","0.71073","MoKα","","0.0284","0.026","","","0.0875","0.0904","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554823","8.061","0.0002","10.8588","0.0002","27.7356","0.0006","90","","90","","90","","2427.77","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C108 H160 O16 -","4","1","","Xu, Hou-Chao; Hu, Kun; Shi, Xiao-Huo; Tang, Jian-Wei; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Synergistic use of NMR computation and quantitative interproton distance analysis in the structural determination of neokadcoccitane A, a rearranged triterpenoid featuring an aromatic ring D from Kadsura coccinea","Organic Chemistry Frontiers","2019","6","10","1619","","10.1039/C9QO00281B","","","1.54178","CuKα","","0.036","0.0358","","","0.0981","0.0984","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554825","5.4882","0.0007","11.1825","0.0015","11.6413","0.0016","62.292","0.014","80.059","0.011","76.727","0.011","613.82","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","1.54184","CuKα","","0.1177","0.0956","","","0.2368","0.2677","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554826","15.105","0.0005","12.8664","0.0004","15.5822","0.0005","90","","91.952","0.003","90","","3026.6","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.1063","0.0658","","","0.1466","0.1757","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554827","7.1859","0.0004","12.0427","0.0007","12.0895","0.0009","93.791","0.005","100.927","0.005","98.538","0.005","1011.05","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 B F2 N4 O2 -","- C19 H17 B F2 N4 O2 -","- C38 H34 B2 F4 N8 O4 -","2","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","x-ray","0.71073","MoKα","","0.0683","0.0479","","","0.1168","0.1299","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554828","10.668","0.0014","24.498","0.004","11.286","0.003","90","","93.034","0.012","90","","2945.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N3 O2.5 -","- C17 H16 N3 O2.5 -","- C136 H128 N24 O20 -","8","2","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.2527","0.0753","","","0.0943","0.1374","","","","","","0.799","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554829","11.1306","0.0003","11.7622","0.0003","24.0194","0.0007","90","","91.217","0.002","90","","3143.92","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.14 H14.5 B F2 N3 O2 -","- C17 H16 B F2 N3 O2 -","- C136 H128 B8 F16 N24 O16 -","8","2","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.0798","0.0599","","","0.1524","0.173","","","","","","1.04","","","","has coordinates,has disorder","238142","2020-10-21","18:00:00",""
"1554836","9.5782","0.0006","11.765","0.0004","20.2153","0.0009","90","","90","","90","","2278.01","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Dai, Chuan; Ma, Jun; Li, Min; Wu, Wen; Xia, Xuefeng; Zhang, Jinqiang","Diversity-oriented submonomer synthesis of azapeptides mediated by the Mitsunobu reaction","Organic Chemistry Frontiers","2019","6","14","2529","","10.1039/C9QO00296K","","","0.71073","MoKα","","0.0883","0.0601","","","0.1385","0.1634","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554843","10.7226","0.0003","12.3939","0.0003","15.6108","0.0004","90","","92.991","0.003","90","","2071.77","0.09","123","40","123","40","","","","","","","","7","C 1 c 1","C -2yc","9","1a","","","- C16 H23 Cl F6 N3 O2 P -","- C16 H23 Cl F6 N3 O2 P -","- C64 H92 Cl4 F24 N12 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0509","0.0434","","","0.1061","0.1107","","","","","","1.038","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554844","11.8795","0.0005","14.5176","0.0005","12.6593","0.0006","90","","102.138","0.004","90","","2134.44","0.16","149","2","149","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 F6 N2 O2 P -","- C17 H23 Cl2 F6 N2 O2 P -","- C68 H92 Cl8 F24 N8 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0571","0.04","","","0.0888","0.0979","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554845","36.485","0.007","10.158","0.002","16.856","0.003","90","","92.44","0.03","90","","6241","2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 F6 N4 O2 P -","- C28 H41 F6 N4 O2 P -","- C224 H328 F48 N32 O16 P8 -","8","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0861","0.0524","","","0.1225","0.1496","","","","","","1.096","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554846","24.915","0.002","8.8562","0.0007","19.8464","0.0018","90","","105.666","0.009","90","","4216.5","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H49 F12 N7 O4 P2 -","- C34 H49 F12 N7 O4 P2 -","- C136 H196 F48 N28 O16 P8 -","4","0.5","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.138","0.0803","","","0.1669","0.196","","","","","","1.048","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554847","10.7516","0.0004","12.0558","0.0006","14.8348","0.0006","107.62","0.004","93.413","0.003","109.731","0.004","1696.8","0.14","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","6c","","","- C26 H39.5 F9 N4.5 O5 P S -","- C26 H39.5 F9 N4.5 O5 P S -","- C52 H79 F18 N9 O10 P2 S2 -","2","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0828","0.0612","","","0.1572","0.1736","","","","","","1.04","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554848","7.59057","0.00019","26.3895","0.0007","12.488","0.0003","90","","107.133","0.003","90","","2390.48","0.11","149.95","0.1","149.95","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Cl F6 N3 O2 P -","- C19 H29 Cl F6 N3 O2 P -","- C76 H116 Cl4 F24 N12 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0593","0.0449","","","0.0993","0.1058","","","","","","1.064","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554849","12.3903","0.001","16.1931","0.001","13.6174","0.0011","90","","113.783","0.01","90","","2500.1","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9b","","","- C21 H32 F6 N4 O2 P -","- C21 H32 F6 N4 O2 P -","- C84 H128 F24 N16 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0871","0.058","","","0.131","0.1473","","","","","","1.017","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554850","10.5891","0.0002","16.2883","0.0004","13.903","0.0003","90","","102.985","0.002","90","","2336.65","0.09","150","0.14","150","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6a","","","- C16 H23 F12 N3 O2 P2 -","- C16 H23 F12 N3 O2 P2 -","- C64 H92 F48 N12 O8 P8 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0846","0.053","","","0.1114","0.1245","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554851","18.6093","0.0007","10.778","0.0003","15.4265","0.0006","90","","101.706","0.004","90","","3029.76","0.19","149","3","149","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl2 F6 N2 O2 P -","- C26 H41 Cl2 F6 N2 O2 P -","- C104 H164 Cl8 F24 N8 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0973","0.0544","","","0.1016","0.117","","","","","","1.01","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554852","9.5322","0.0004","18.6061","0.0007","21.1198","0.0011","83.275","0.004","88.086","0.004","80.993","0.003","3673.7","0.3","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C30.33 H52.53 Cl2.12 F6 N3 O2.44 P -","- C30.323 H52.528 Cl2.118 F6 N3 O2.441 P -","- C121.292 H210.112 Cl8.472 F24 N12 O9.764 P4 -","4","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.1554","0.1108","","","0.2715","0.2951","","","","","","1.105","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554853","12.7678","0.0013","11.6389","0.001","36.278","0.003","90","","94.051","0.007","90","","5377.6","0.8","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Cl F6 N3 O2 P -","- C22 H35 Cl F6 N3 O2 P -","- C176 H280 Cl8 F48 N24 O16 P8 -","8","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.2373","0.0847","","","0.1418","0.2095","","","","","","0.929","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554854","12.1931","0.0003","15.3991","0.0004","22.7102","0.0005","95.65","0.002","102.392","0.002","94.7722","0.0019","4120.61","0.18","149.95","0.1","149.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47.66 F12 N6.5 O4.08 P2 -","- C33 H47.659 F12 N6.5 O4.0795 P2 -","- C132 H190.636 F48 N26 O16.318 P8 -","4","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0807","0.0581","","","0.1262","0.137","","","","","","1.02","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554857","6.9512","0.0002","8.6039","0.0003","15.1128","0.0004","102.337","0.001","92.466","0.001","108.002","0.001","833.95","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","He, Fu-Sheng; Wu, Youqian; Li, Xiaofang; Xia, Hongguang; Wu, Jie","Photoredox-catalyzed sulfonylation of alkenylcyclobutanols with the insertion of sulfur dioxide through semipinacol rearrangement","Organic Chemistry Frontiers","2019","6","11","1873","","10.1039/C9QO00300B","","","1.34138","GaKα","","0.044","0.0415","","","0.1121","0.1148","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554859","6.0877","0.0011","10.8073","0.0014","26.052","0.004","90","","93.948","0.006","90","","1709.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Xu, Dongyang; Wei, Hongbo; Zhen, Yanxia; Gao, Yu-Qi; Li, Ruoxin; Li, Xingzhou; He, Yupeng; Zhang, Zhong; Xie, Weiqing","Carboxylate phosphabetaine as a bifunctional organocatalyst for the intramolecular ring opening of oxetane","Organic Chemistry Frontiers","2019","6","10","1681","","10.1039/C9QO00304E","","","0.71073","","","0.0465","0.0383","","","0.0902","0.0943","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554861","6.4968","0.0013","22.26","0.005","7.1909","0.0014","90","","116.2","0.03","90","","933.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 B0.75 O2.25 -","- C9 H11 B O3 -","- C36 H44 B4 O12 -","4","1","","Bhavanarushi, Sangepu; Xu, Yin; Khan, Imran; Luo, Zhibin; Liu, Bin; Xie, Jimin","Transition-metal-free borylation of propargylic alcohols: structurally variable synthesis in ionic liquid medium","Organic Chemistry Frontiers","2019","6","11","1895","","10.1039/C9QO00322C","","","0.71073","MoKα","","0.0449","0.0385","","","0.136","0.1423","","","","","","1.105","","","","has coordinates","238158","2020-10-21","18:00:00",""
"1554863","5.41","0.002","17.433","0.007","11.237","0.004","90","","93.29","0.007","90","","1058","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","Peng, Xiaofeng; Zhang, Xiaofei; Li, Shunyao; Lu, Yunfu; Lan, Lefu; Yang, Chunhao","Silver-mediated synthesis of novel 3-CF3/CN/phosphonate-substituted pyrazoles as pyrrolomycin analogues from 3-formylchromones and diazo compounds","Organic Chemistry Frontiers","2019","6","11","1775","","10.1039/C9QO00324J","","","0.71073","MoKα","","0.1046","0.0595","","","0.1375","0.1599","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554865","12.2161","0.0005","12.5468","0.0005","16.7879","0.0007","90","","90","","90","","2573.13","0.18","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O9 S -","- C24 H22 N2 O9 S -","- C96 H88 N8 O36 S4 -","4","1","","Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong","Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes","Organic Chemistry Frontiers","2019","6","11","1891","","10.1039/C9QO00325H","","","1.54178","CuKα","","0.072","0.0579","","","0.1392","0.1531","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554866","10.3133","0.0004","11.2328","0.0004","19.0954","0.0008","90","","99.604","0.002","90","","2181.14","0.15","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong","Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes","Organic Chemistry Frontiers","2019","6","11","1891","","10.1039/C9QO00325H","","","1.54178","CuKα","","0.054","0.0499","","","0.1332","0.1372","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554868","5.9309","0.0006","17.47","0.002","19.675","0.003","90","","90","","90","","2038.6","0.4","173","2","173","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","4-spiropyrazolone","3-(4-chlorophenyl)-7-methoxy-3'-methyl-1'-phenyl-3H-spiro[benzofuran-2,4'-pyrazol]-5'(1'H)-one","","- C24 H19 Cl N2 O3 -","- C24 H19 Cl N2 O3 -","- C96 H76 Cl4 N8 O12 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Wang, Yi-Feng; Wang, Biao; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Organocatalytic asymmetric [4 + 1] annulation of in situ generated ortho-quinomethanes with 4-halo pyrazolones: straightforward access to chiral spiro-benzofuran pyrazolones","Organic Chemistry Frontiers","2019","6","12","1977","","10.1039/C9QO00332K","","","0.71073","MoKα","","0.0663","0.0585","","","0.1544","0.1624","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554870","9.3579","0.0019","12.566","0.003","29.371","0.006","90","","96.6","0.03","90","","3430.9","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","2","","Zhang, Wei; Zheng, Han-Liang; Liu, Yang; Yu, Ao; Yang, Chen; Li, Xin; Cheng, Jin-Pei","Catalyst-free amination of α-cyanoarylacetates enabled by single-electron transfer","Organic Chemistry Frontiers","2019","6","11","1900","","10.1039/C9QO00346K","","","0.71073","MoKα","","0.0772","0.0543","","","0.1222","0.1366","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554872","7.807","0.0003","15.9924","0.0005","10.5193","0.0004","90","","109.003","0.004","90","","1241.79","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O4 -","- C28 H29 N3 O4 -","- C56 H58 N6 O8 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Xiao-Jian; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","A AgOAc/quinine-derived aminophosphine complex as an efficient catalyst for diastereo- and enantioselective 1,3-dipolar cycloaddition of α,β-unsaturated 7-azaindoline amides and azomethine ylides","Organic Chemistry Frontiers","2019","6","11","1879","","10.1039/C9QO00347A","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.1007","0.106","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554874","8.0029","0.0001","15.3468","0.0003","17.8042","0.0003","90","","90","","90","","2186.69","0.06","299.44","0.1","299.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.0883","0.0915","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554876","14.3037","0.0001","14.0845","0.0001","23.7866","0.0002","90","","91.922","0.001","90","","4789.36","0.06","104","7","104","7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H27 N2 O4.5 -","- C29 H27 N2 O4.5 -","- C232 H216 N16 O36 -","8","2","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0433","0.0414","","","0.1125","0.1141","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554879","8.09067","0.00008","25.4976","0.0003","41.3088","0.0004","90","","90","","90","","8521.7","0.15","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28.33333 H40.33333 N O9.33333 -","- C28.3333 H40.3333 N O9.33333 -","- C340 H484 N12 O112 -","12","3","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0426","0.037","","","0.0941","0.0974","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554881","12.0924","0.001","16.7422","0.0011","8.278","0.0007","90","","107.825","0.009","90","","1595.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0862","0.0579","","","0.1284","0.1514","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554882","6.4241","0.0006","10.1906","0.0011","11.3167","0.0014","68.951","0.011","83.144","0.009","83.818","0.008","684.79","0.14","294.9","0.7","294.9","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 F3 O5 -","- C14 H13 F3 O5 -","- C28 H26 F6 O10 -","2","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","1.54184","CuKα","","0.0494","0.0415","","","0.1124","0.122","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554883","12.1636","0.0011","10.2486","0.0007","12.3402","0.0011","90","","110.011","0.01","90","","1445.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0858","0.0532","","","0.1195","0.1438","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554884","7.6075","0.001","9.2096","0.0012","19.424","0.003","90","","98.561","0.002","90","","1345.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0541","0.0419","","","0.1348","0.1506","","","","","","0.998","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554886","10.9357","0.0005","11.7723","0.0006","24.8931","0.0009","90","","90","","90","","3204.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O5 S -","- C33 H27 Cl3 N2 O5 S -","- C132 H108 Cl12 N8 O20 S4 -","4","1","","Ren, Xiao-Rui; Lin, Jun-Bing; Hu, Xiu-Qin; Xu, Peng-Fei","Bifunctional Brønsted base catalyzed inverse-electron-demand aza-Diels–Alder reactions of saccharin-derived 1-azadienes with azlactones","Organic Chemistry Frontiers","2019","6","13","2280","","10.1039/C9QO00357F","","","0.71073","MoKα","","0.0793","0.056","","","0.1179","0.1352","","","","","","1.048","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554888","5.4632","0.0004","16.8139","0.0011","10.7302","0.0007","90","","98.574","0.002","90","","974.64","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O Se -","- C10 H9 N O Se -","- C40 H36 N4 O4 Se4 -","4","1","","Xiao, Jun-An; Li, Yu-Chun; Cheng, Xiu-Liang; Chen, Wen-Qiang; Cui, Jian-Guo; Huang, Yan-Min; Huang, Jun; Xiao, Qi; Su, Wei; Yang, Hua","Selenocyanobenziodoxolone: a practical electrophilic selenocyanation reagent and its application for solid-state synthesis of α-carbonyl selenocyanates","Organic Chemistry Frontiers","2019","6","12","1967","","10.1039/C9QO00358D","","","0.71073","MoKα","","0.0768","0.0387","","","0.0749","0.0859","","","","","","1.026","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1554889","10.1323","0.0006","7.4394","0.0005","15.4852","0.001","90","","100.787","0.002","90","","1146.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O3 Se -","- C24 H33 N O3 Se -","- C48 H66 N2 O6 Se2 -","2","1","","Xiao, Jun-An; Li, Yu-Chun; Cheng, Xiu-Liang; Chen, Wen-Qiang; Cui, Jian-Guo; Huang, Yan-Min; Huang, Jun; Xiao, Qi; Su, Wei; Yang, Hua","Selenocyanobenziodoxolone: a practical electrophilic selenocyanation reagent and its application for solid-state synthesis of α-carbonyl selenocyanates","Organic Chemistry Frontiers","2019","6","12","1967","","10.1039/C9QO00358D","","","0.71073","MoKα","","0.0547","0.0362","","","0.0786","0.0849","","","","","","1.023","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1554891","7.229","0.004","11.212","0.006","22.921","0.012","90","","90","","90","","1857.8","1.7","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl O5 -","- C21 H21 Cl O5 -","- C84 H84 Cl4 O20 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.1004","0.0738","","","0.1835","0.2015","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554892","10.3231","0.0013","8.3376","0.001","10.651","0.0013","90","","116.926","0.002","90","","817.35","0.17","100.15","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0432","0.0357","","","0.0852","0.0905","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554893","10.5134","0.0013","7.5193","0.0009","22.921","0.003","90","","90","","90","","1812","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O4 -","- C21 H19 Cl O4 -","- C84 H76 Cl4 O16 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0627","0.0472","","","0.1089","0.119","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554895","14.05","0.0011","8.3338","0.0006","14.2852","0.0011","90","","101.509","0.001","90","","1639","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-ethyl-3-nitro-1-tosyl-1H-indazole","","- C16 H15 N3 O4 S -","- C16 H15 N3 O4 S -","- C64 H60 N12 O16 S4 -","4","1","","Wang, Guodong; Sun, Jian; Wang, Kai; Han, Junfen; Li, Hongshuang; Duan, Guiyun; You, Guirong; Li, Furong; Xia, Chengcai","Palladium-catalyzed direct C–H nitration and intramolecular C–H functionalization for the synthesis of 3-nitro-1-(phenylsulfonyl)-1H-indazole derivatives","Organic Chemistry Frontiers","2019","6","10","1608","","10.1039/C9QO00367C","","","0.71073","MoKα","","0.0499","0.0408","","","0.1057","0.1132","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554897","7.9218","0.0011","6.5193","0.0008","13.434","0.0016","90","","101.58","0.004","90","","679.67","0.15","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 8-azaspiro[bicyclo[3.2.1]octane-(exo)-3,2?-oxirane]-8-carboxylate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Mandzhulo, Aleksandr; Vashchenko, Iryna; Gerasov, Andrii; Vovk, Mykhaylo; Rusanov, Eduard; Fetyukhin, Volodymyr; Lukin, Oleg; Shivanyuk, Alexander","Selective synthesis of N-protected exo-spiro[oxirane-3,2′-tropanes]","Organic Chemistry Frontiers","2019","6","10","1692","","10.1039/C9QO00377K","","","0.71073","MoKα","","0.0391","0.0337","","","0.0751","0.0772","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554899","8.9194","0.0008","12.8315","0.0012","18.5057","0.0018","90","","90","","90","","2118","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Zhao, Nan; Xie, Shengling; Tian, Peilin; Tong, Rongbiao; Ning, Chengqing; Xu, Jing","Asymmetric total synthesis of (+)-astellatol and (−)-astellatene","Organic Chemistry Frontiers","2019","6","12","2014","","10.1039/C9QO00384C","","","1.54184","CuKα","","0.0724","0.0659","","","0.1672","0.1734","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554901","9.9964","0.0003","10.5385","0.0003","17.4587","0.0005","90","","90","","90","","1839.22","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zhang, Jing; Tang, Xuli; Han, Xiao; Feng, Danqing; Luo, Xiangchao; Ofwegen, Leen van; Li, Pinglin; Li, Guoqiang","Sarcoglaucins A-I, new antifouling cembrane-type diterpenes from the South China Sea soft coral Sarcophyton glaucum","Organic Chemistry Frontiers","2019","6","12","2004","","10.1039/C9QO00386J","","x-ray","1.54184","CuKα","","0.042","0.0365","","","0.0822","0.0857","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554903","6.5666","0.0003","16.4713","0.0006","8.0376","0.0004","90","","111.405","0.005","90","","809.39","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Wang, Bo; Wang, Yuankai; Wang, Zixuan; Wang, Jianbo","Rh(i)-Catalyzed intramolecular [2 + 2 + 1] cycloaddition of diynes with the N-terminal of the diazo group","Organic Chemistry Frontiers","2019","6","14","2329","","10.1039/C9QO00403C","","","0.71073","MoKα","","0.0377","0.0347","","","0.0855","0.088","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554905","15.1446","0.0014","24.455","0.002","20.982","0.003","90","","93.45","0.003","90","","7756.8","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 F4 O7 -","- C45 H42 F4 O7 -","- C360 H336 F32 O56 -","8","1","","Wu, Tuoqi; Senior, James; Bremner, Glen; Finden, Jeremy; Branda, Neil R.","Unusual structural changes as a result of weathering benzofuran-based diarylethenes in simulated sunlight","Organic Chemistry Frontiers","2019","6","12","1961","","10.1039/C9QO00409B","","","0.71073","MoKα","","0.0658","0.0493","","","0.129","0.1405","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554906","11.4709","0.0017","13.897","0.002","14.895","0.002","107.986","0.004","112.427","0.004","96.387","0.005","2015.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H45 F4 O7 -","- C47 H45 F4 O7 -","- C94 H90 F8 O14 -","2","1","","Wu, Tuoqi; Senior, James; Bremner, Glen; Finden, Jeremy; Branda, Neil R.","Unusual structural changes as a result of weathering benzofuran-based diarylethenes in simulated sunlight","Organic Chemistry Frontiers","2019","6","12","1961","","10.1039/C9QO00409B","","","0.71073","MoKα","","0.1248","0.0777","","","0.2288","0.2729","","","","","","1.082","","","","has coordinates","238196","2020-10-21","18:00:00",""
"1554908","10.273","0.004","10.178","0.004","16.954","0.007","90","","99.61","0.006","90","","1747.8","1.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Zhao, Hong-Ping; Ma, Xiao-Pan; Nie, Shu-Min; Xiao, Yuhong; Mo, Dong-Liang","Synthesis of chromeno[4,3-b]quinolines and spirobenzofuran-3,3′-quinolines through silver-mediated Appel reaction/C–Br bond cleavage/double selective rearrangement sequence","Organic Chemistry Frontiers","2019","6","14","2334","","10.1039/C9QO00417C","","","0.71073","MoKα","","0.0504","0.0408","","","0.1109","0.1202","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554910","10.5982","0.0007","10.2369","0.0007","20.9415","0.0014","90","","99.629","0.001","90","","2240","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Wang, Jian; Cai, Panyuan; He, Yimiao; Liu, Yuan; Zhong, Ling; Ding, Shumin; Shang, Yongjia","Tuneable access to isoquinolines via a transition-metal-free C(sp3)–C(sp3) bond cleavage rearrangement reaction","Organic Chemistry Frontiers","2019","6","14","2430","","10.1039/C9QO00427K","","","0.71073","MoKα","","0.062","0.0426","","","0.0977","0.1085","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554911","10.7138","0.0003","10.8978","0.0003","12.099","0.0003","92.748","0.001","96.702","0.001","90.476","0.001","1401.24","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 F6 N2 O P Ru -","- C27 H29 F6 N2 O P Ru -","- C54 H58 F12 N4 O2 P2 Ru2 -","2","1","","Hong, Xi; Zhou, Quan; Huang, Shuang; Cui, He-Zhen; Li, Zhi-Ming; Hou, Xiu-Feng","Transition metal catalysed C7 and ortho-selective halogenation of 2-arylbenzo[d]oxazoles","Organic Chemistry Frontiers","2019","6","13","2226","","10.1039/C9QO00429G","","","1.34138","GaKα","","0.0258","0.0242","","","0.0648","0.0659","","","","","","1.053","","","","has coordinates,has disorder","238201","2020-10-21","18:00:00",""
"1554913","6.8959","0.0008","7.1261","0.0006","24.02","0.003","90","","90","","90","","1180.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Feng, Guang-Shou; Zhao, Zi-Biao; Shi, Lei; Zhou, Yong-Gui","Iridium-catalyzed asymmetric hydrogenation of quinazolinones","Organic Chemistry Frontiers","2019","6","13","2250","","10.1039/C9QO00443B","","","1.54178","CuKα","","0.1156","0.0683","","","0.1729","0.2048","","","","","","0.912","","","","has coordinates","238203","2020-10-21","18:00:00",""
"1554918","8.4795","0.0001","18.0358","0.0001","21.5437","0.0001","90","","90","","90","","3294.78","0.05","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Br F3 N3 O3 -","- C35 H27 Br F3 N3 O3 -","- C140 H108 Br4 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0591","0.0577","","","0.1511","0.1528","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554919","11.9726","0.0002","16.0021","0.0003","18.2529","0.0004","90","","90","","90","","3497.01","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Cl2 F4 N2 O3 -","- C40 H32 Cl2 F3 N3 O3 -","- C160 H128 Cl8 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0556","0.0528","","","0.1401","0.1448","","","","","","1.026","","","","has coordinates,has disorder","238208","2020-10-21","18:00:00",""
"1554922","21.4324","0.0012","13.5256","0.0008","8.8733","0.0005","90","","90","","90","","2572.2","0.3","292.94","0.1","292.94","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H28 N2 O5 -","- C31 H28 N2 O5 -","- C124 H112 N8 O20 -","4","1","","Zhang, Si-Chen; Lei, Xin-Xin; Yang, Yong-jian; Luo, Yong-Chun; Zhang, Huan-Huan; Xu, Peng-Fei","Palladium catalysed [3 + 2]-annulation reaction of vinylcyclopropanes with pentafulvenes: synthesis of polysubstituted spiro[4,4]nona-6,8-dienes","Organic Chemistry Frontiers","2019","6","14","2415","","10.1039/C9QO00467J","","","0.71073","MoKα","","0.0811","0.0502","","","0.0894","0.1086","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554923","8.9859","0.0013","10.004","0.002","15.8029","0.0018","97.57","0.013","90.211","0.011","115.564","0.017","1267.4","0.4","293","0.1","293","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C60 H50 N6 O6 -","2","1","","Zhang, Si-Chen; Lei, Xin-Xin; Yang, Yong-jian; Luo, Yong-Chun; Zhang, Huan-Huan; Xu, Peng-Fei","Palladium catalysed [3 + 2]-annulation reaction of vinylcyclopropanes with pentafulvenes: synthesis of polysubstituted spiro[4,4]nona-6,8-dienes","Organic Chemistry Frontiers","2019","6","14","2415","","10.1039/C9QO00467J","","x-ray","1.54184","CuKα","","0.0585","0.0458","","","0.1141","0.1273","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554925","9.1965","0.0003","9.694","0.0004","38.3086","0.0014","90","","90","","90","","3415.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Br Cl3 N3 O4 -","- C38 H31 Br Cl3 N3 O4 -","- C152 H124 Br4 Cl12 N12 O16 -","4","1","","Zhang, Jing; Chan, Wai-Lun; Chen, Ligong; Ullah, Nisar; Lu, Yixin","Creation of bispiro[pyrazolone-3,3′-oxindoles] via a phosphine-catalyzed enantioselective [3 + 2] annulation of the Morita–Baylis–Hillman carbonates with pyrazoloneyldiene oxindoles","Organic Chemistry Frontiers","2019","6","13","2210","","10.1039/C9QO00471H","","","1.54178","CuKα","","0.0252","0.0249","","","0.0597","0.0599","","","","","","1.082","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554927","20.961","0.008","20.961","0.008","7.086","0.003","90","","90","","120","","2696.2","1.8","273","2","273.15","","","","","","","","","3","R 3 :H","R 3","146","","","","- C16 H18 O -","- C16 H18 O -","- C144 H162 O9 -","9","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.1082","0.0714","","","0.1619","0.1846","","","","","","0.936","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554928","42.742","0.003","10.4771","0.0009","10.9037","0.0009","90","","93.609","0.006","90","","4873.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 O3 Si -","- C27 H33.992 O3 Si -","- C216 H271.936 O24 Si8 -","8","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.0939","0.0697","","","0.1464","0.1574","","","","","","1.105","","","","has coordinates,has disorder","238215","2020-10-21","18:00:00",""
"1554929","7.3423","0.001","8.4321","0.0009","10.4623","0.0011","85.681","0.008","85.985","0.01","78.332","0.01","631.55","0.13","185.1","0.6","185.1","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.0525","0.0443","","","0.1051","0.11","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554931","17.4772","0.0006","10.488","0.0005","19.6463","0.0005","90","","90","","90","","3601.2","0.2","296.8","0.2","296.8","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","","Huang, Guofei; Ren, Xiaoyu; Jiang, Chunhui; Wu, Jia-Hong; Gao, Guowei; Wang, Tianli","Efficient synthesis of (E)-2-nitromethylcinnamates via phosphine-catalyzed tandem α-addition and 1,3-rearrangement","Organic Chemistry Frontiers","2019","6","16","2872","","10.1039/C9QO00478E","","x-ray","1.54184","CuKα","","0.0659","0.056","","","0.1629","0.1792","","","","","","0.903","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554933","15.971","0.004","4.2214","0.0011","13.319","0.003","90","","90","","90","","898","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Peng, Yingyuan; He, Qian; Zhang, Xiaofei; Yang, Chunhao","Pd-Catalyzed intramolecular C–H activation and C–S formation to synthesize pyrazolo[5,1-b]benzothiazoles without an additional oxidant","Organic Chemistry Frontiers","2019","6","18","3234","","10.1039/C9QO00484J","","","0.71073","MoKα","","0.0485","0.0387","","","0.0807","0.0848","","","","","","0.991","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554936","10.8238","0.0004","10.3557","0.0003","17.8199","0.0007","90","","96.908","0.003","90","","1982.9","0.12","295.91","0.1","295.91","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0737","0.0671","","","0.1697","0.18","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554938","21.7832","0.0003","21.7832","0.0003","8.49552","0.00015","90","","90","","90","","4031.19","0.11","297.8","0.2","297.8","0.2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C160 H168 N24 O32 -","8","1","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0659","0.0634","","","0.151","0.1561","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554939","6.9944","0.0003","7.8586","0.0004","26.1858","0.0011","85.696","0.004","89.837","0.004","79.658","0.004","1411.87","0.11","296.9","0.6","296.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","2","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0788","0.0706","","","0.1941","0.2078","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554940","9.69927","0.00009","10.835","0.00009","16.94975","0.00013","90","","90","","90","","1781.28","0.03","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F3 N O3 -","- C22 H18 F3 N O3 -","- C88 H72 F12 N4 O12 -","4","1","","Rabasa-Alcañiz, Fernando; Hammerl, Daniel; Sánchez-Merino, Anabel; Tejero, Tomás; Merino, Pedro; Fustero, Santos; del Pozo, Carlos","Asymmetric synthesis of polycyclic 3-fluoroalkylproline derivatives by intramolecular azomethine ylide cycloaddition","Organic Chemistry Frontiers","2019","6","16","2916","","10.1039/C9QO00525K","","x-ray","1.54184","CuKα","","0.0275","0.0271","","","0.0688","0.0691","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554942","15.5529","0.0006","7.3629","0.0003","19.8862","0.0006","90","","90","","90","","2277.26","0.15","170","2","170.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cu F6 P -","- C26 H20 Cu F6 P -","- C104 H80 Cu4 F24 P4 -","4","0.5","","Liu, He; Shen, Qilong","Bistrifluoromethylated organocuprate [Ph4P]+[Cu(CF3)2]−: synthesis, characterization and its application for trifluoromethylation of activated heteroaryl bromides, chlorides and iodides","Organic Chemistry Frontiers","2019","6","14","2324","","10.1039/C9QO00527G","","","0.71073","MoKα","","0.057","0.0459","","","0.1394","0.15","","","","","","1.057","","","","has coordinates","238227","2020-10-21","18:00:00",""
"1554943","10.5905","0.0002","16.0282","0.0004","11.3851","0.0003","90","","116.637","0.001","90","","1727.47","0.07","135","2","135","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Yakkala, Prasanna Anjaneyulu; Giri, Deepesh; Chaudhary, Bharatkumar; Auti, Prashant; Sharma, Satyasheel","Regioselective C–H alkylation and alkenylation at the C5 position of 2-amino-1,4-naphthoquinones with maleimides under Rh(iii) catalysis","Organic Chemistry Frontiers","2019","6","14","2441","","10.1039/C9QO00538B","","","0.71073","MoKα","","0.0488","0.0397","","","0.1057","0.1129","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554945","7.5896","0.0008","10.9767","0.0011","11.9609","0.0013","110.338","0.004","100.049","0.004","106.048","0.004","856.49","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br2 N O2 -","- C17 H15 Br2 N O2 -","- C34 H30 Br4 N2 O4 -","2","1","","Wang, Yu-Chao; Wang, Rui-Xiang; Qiu, Guanyinsheng; Zhou, Hongwei; Xie, Wenlin; Liu, Jin-Biao","ortho-Amide-directed 2,4-dibromohydration of conjugated enynes","Organic Chemistry Frontiers","2019","6","14","2471","","10.1039/C9QO00540D","","","1.34138","GaKα","","0.0566","0.0484","","","0.1295","0.1367","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554946","7.2536","0.0006","9.2341","0.0009","9.3515","0.001","85.065","0.008","81.059","0.008","68.355","0.008","574.85","0.1","295.25","0.1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C28 H24 N4 O2 -","2","1","","Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines","Organic Chemistry Frontiers","2019","6","14","2404","","10.1039/C9QO00568D","","","0.71073","MoKα","","0.0923","0.0533","","","0.1358","0.1669","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554947","9.8811","0.0007","14.4238","0.0007","13.7948","0.0009","90","","109.258","0.007","90","","1856.1","0.2","279","7","279","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 N3 O -","- C25 H15 N3 O -","- C100 H60 N12 O4 -","4","1","","Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines","Organic Chemistry Frontiers","2019","6","14","2404","","10.1039/C9QO00568D","","x-ray","0.71073","MoKα","","0.0735","0.0468","","","0.1073","0.1255","","","","","","1.0655","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554949","8.0332","0.0002","8.5272","0.0002","16.9075","0.0004","99.329","0.002","99.436","0.002","101.204","0.002","1097.99","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F2 N O3 S -","- C25 H23 F2 N O3 S -","- C50 H46 F4 N2 O6 S2 -","2","1","","Hu, Xiao-Si; Ding, Pei-Gang; Yu, Jin-Sheng; Zhou, Jian","A Sc(OTf)3 catalyzed Mukaiyama–Mannich reaction of difluoroenoxysilanes with unactivated ketimines","Organic Chemistry Frontiers","2019","6","14","2500","","10.1039/C9QO00577C","","x-ray","1.54184","CuKα","","0.0419","0.0391","","","0.106","0.108","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554951","23.8323","0.0016","5.5909","0.0004","15.658","0.0011","90","","103.617","0.007","90","","2027.7","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 O2 S2 -","- C24 H24 O2 S2 -","- C96 H96 O8 S8 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71075","MoKα","","0.0959","0.0709","","","0.1475","0.1599","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554952","6.07714","0.00018","13.1618","0.0003","27.1117","0.0008","90","","90","","90","","2168.56","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C100 H100 N4 O8 S4 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0467","0.0402","","","0.0867","0.0895","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554953","13.9336","0.0007","19.7182","0.0009","20.3209","0.0011","90","","103.298","0.005","90","","5433.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30.52 O4.26 S -","- C32 H30.516 O4.258 S -","- C256 H244.128 O34.064 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.1375","0.0847","","","0.207","0.2401","","","","","","1.025","","","","has coordinates,has disorder","238235","2020-10-21","18:00:00",""
"1554954","28.3482","0.0011","19.5347","0.0007","7.5873","0.0003","90","","90","","90","","4201.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Fe O2 S -","- C27 H24 Fe O2 S -","- C216 H192 Fe8 O16 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0768","0.0497","","","0.0928","0.1026","","","","","","1.046","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554957","10.1603","0.0005","10.173","0.0004","23.5179","0.001","90","","90","","90","","2430.83","0.18","100","2","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N O5 S -","- C27 H22 Cl N O5 S -","- C108 H88 Cl4 N4 O20 S4 -","4","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0661","0.0674","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554958","10.0757","0.0011","10.4448","0.0009","10.8094","0.0012","90","","92.786","0.003","90","","1136.2","0.2","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.0293","0.028","","","0.0705","0.0714","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554961","9.8296","0.0013","13.4413","0.0017","22.608","0.003","90","","94.433","0.003","90","","2978.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1107","0.0682","","","0.1582","0.1781","","","","","","1.042","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554962","5.8832","0.0002","8.7875","0.0002","37.5443","0.0011","90","","90","","90","","1940.99","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 S -","- C20 H27 N O2 S -","- C80 H108 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.052","0.0415","","","0.1086","0.1175","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554963","8.87","0.0016","10.6671","0.0018","21.508","0.004","90","","90","","90","","2035","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 S -","- C22 H29 N O2 S -","- C88 H116 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0781","0.0496","","","0.1022","0.1128","","","","","","0.959","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554964","35.164","0.003","8.6573","0.0006","11.5114","0.0009","90","","94.241","0.002","90","","3494.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C152 H184 N8 O16 S8 -","8","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0964","0.0583","","","0.1308","0.1549","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554965","19.505","0.003","8.6857","0.0013","13.1687","0.0016","90","","92.309","0.004","90","","2229.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O2 S -","- C23 H33 N O2 S -","- C92 H132 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1115","0.0661","","","0.1559","0.1912","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554966","10.888","0.003","8.651","0.002","10.91","0.003","90","","97.5","0.005","90","","1018.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H26 Br N O2 S -","- C21 H26 Br N O2 S -","- C42 H52 Br2 N2 O4 S2 -","2","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0658","0.0461","","","0.1074","0.1167","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554967","12.551","0.003","11.012","0.002","14.276","0.003","90","","113.904","0.005","90","","1803.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br N O2 S -","- C18 H22 Br N O2 S -","- C72 H88 Br4 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1743","0.0841","","","0.1987","0.2575","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554970","10.013","0.005","12.073","0.006","12.827","0.006","111.893","0.015","107.027","0.017","93.776","0.019","1348.7","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 Cl -","- C17 H14 Cl -","- C68 H56 Cl4 -","4","2","","Fan, Xing; Liu, Ruixing; Wei, Yin; Shi, Min","Rh-Catalyzed intramolecular decarbonylative cyclization of ortho-formyl group tethered alkylidenecyclopropanes (ACPs) for the construction of 2-methylindenes","Organic Chemistry Frontiers","2019","6","15","2667","","10.1039/C9QO00614A","","","0.71073","MoKα","","0.1127","0.0594","","","0.1447","0.1823","","","","","","1.036","","","","has coordinates","238244","2020-10-21","18:00:00",""
"1554972","14.5964","0.0005","13.9382","0.0005","14.6669","0.0005","90","","90","","90","","2983.94","0.18","194","2","194","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Hu, Xiaoping; Wang, Gaonan; Qin, Chunxiang; Xie, Xin; Zhang, Chunli; Xu, Wei; Liu, Yuanhong","Ligandless nickel-catalyzed transfer hydrogenation of alkenes and alkynes using water as the hydrogen donor","Organic Chemistry Frontiers","2019","6","15","2619","","10.1039/C9QO00616H","","","0.71073","MoKα","","0.0422","0.0359","","","0.088","0.0931","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554974","14.929","0.0003","5.74297","0.00008","27.7627","0.0005","90","","104.785","0.0018","90","","2301.48","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","aminopyrimidine.toluene","","","- C30 H27 N3 -","- C30 H27 N3 -","- C120 H108 N12 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0428","0.0395","","","0.1034","0.1066","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554975","15.534","0.0013","6.291","0.0003","15.0837","0.001","90","","113.849","0.009","90","","1348.18","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","0.71073","MoKα","","0.0533","0.0451","","","0.1086","0.1147","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554976","12.9687","0.0003","13.0705","0.0003","7.18","0.0002","90","","90","","90","","1217.06","0.05","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0291","0.0286","","","0.0755","0.0758","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554977","8.8058","0.0008","10.1568","0.0009","10.8636","0.001","112.118","0.009","90.659","0.008","106.96","0.008","852.87","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C44 H34 N6 -","2","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0765","0.0533","","","0.1464","0.1545","","","","","","1.178","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554979","14.1655","0.0013","22.469","0.002","16.419","0.0015","90","","98.419","0.001","90","","5169.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F2 O5 -","- C30 H24 F2 O5 -","- C240 H192 F16 O40 -","8","2","","Liu, Baohua; Mao, Chunyan; Hu, Qiong; Yao, Liangliang; Hu, Yimin","Direct methylation and carbonylation of in situ generated arynes via HDDA-Wittig coupling","Organic Chemistry Frontiers","2019","6","15","2788","","10.1039/C9QO00621D","","","0.71073","MoKα","","0.1689","0.1089","","","0.3402","0.3959","","","","","","1.349","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554980","9.9135","0.0004","11.2232","0.0004","13.3885","0.0005","94.007","0.002","107.02","0.001","109.916","0.001","1315.15","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 F O3 -","- C15 H12 F O3 -","- C60 H48 F4 O12 -","4","2","","Liu, Baohua; Mao, Chunyan; Hu, Qiong; Yao, Liangliang; Hu, Yimin","Direct methylation and carbonylation of in situ generated arynes via HDDA-Wittig coupling","Organic Chemistry Frontiers","2019","6","15","2788","","10.1039/C9QO00621D","","","0.71073","MoKα","","0.084","0.0692","","","0.2028","0.2261","","","","","","0.987","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554983","17.251","0.002","12.1706","0.0017","26.112","0.004","90","","91.879","0.003","90","","5479.4","1.3","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 B11 Cl6 O -","- C19 H19 B11 Cl6 O -","- C152 H152 B88 Cl48 O8 -","8","2","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0697","0.0467","","","0.0989","0.1119","","","","","","1.083","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554984","19.0146","0.0006","13.8372","0.0003","21.2518","0.0005","90","","90","","90","","5591.5","0.3","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B11 Cl6 O -","- C20 H21 B11 Cl6 O -","- C160 H168 B88 Cl48 O8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","x-ray","0.71073","MoKα","","0.0452","0.0392","","","0.1062","0.1098","","","","","","1.043","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554985","18.70332","0.00019","18.4574","0.0003","18.4002","0.00017","90","","90","","90","","6352.02","0.14","160","2","160.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0396","0.0307","","","0.0779","0.0833","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554986","18.015","0.0002","14.8013","0.0002","23.3476","0.0002","90","","90","","90","","6225.53","0.12","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0534","0.0396","","","0.0966","0.1059","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554987","31.445","0.002","13.6072","0.0008","32.634","0.002","90","","116.666","0.001","90","","12478.2","1.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B11 Cl6 N -","- C25 H24 B11 Cl6 N -","- C400 H384 B176 Cl96 N16 -","16","4","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.1074","0.0711","","","0.1348","0.1534","","","","","","1.179","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554989","9.943","","19.423","","27.408","","90","","94.84","","90","","5274.24","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O4 S2 -","- C27 H24 N4 O4 S2 -","- C216 H192 N32 O32 S16 -","8","2","","Wang, Lihong; Wang, Xiaomin; Zhang, Ge; Yang, Shengbiao; Li, Yan; Zhang, Qian","Copper-catalyzed 1,3-aminoazidation of arylcyclopropanes: a facile access to 1,3-diamine derivatives","Organic Chemistry Frontiers","2019","6","16","2934","","10.1039/C9QO00638A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1647","0.2051","","","","","","0.819","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554991","9.4606","0.0016","8.7844","0.0015","13.698","0.002","90","","91.45","0.004","90","","1138","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","0.71073","MoKα","","0.0639","0.0434","","","0.1065","0.1177","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554992","5.2776","0.0001","10.8907","0.0002","22.1326","0.0004","90","","90","","90","","1272.11","0.04","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","1.34139","GaKα","","0.0331","0.0327","","","0.0874","0.0878","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554993","11.0859","0.0016","9.2256","0.0013","12.6525","0.0018","90","","101.245","0.003","90","","1269.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","0.71073","MoKα","","0.0519","0.0416","","","0.1097","0.1174","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554995","9.2832","0.0007","10.0044","0.0007","11.107","0.0009","87.027","0.006","65.546","0.008","82.335","0.006","930.61","0.14","173","13","173","13","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Yao, Yongqi; Yang, Wen; Lin, Qifu; Yang, Weitao; Li, Huanyong; Wang, Lin; Gu, Fenglong; Yang, Dingqiao","1,3-Dipolar cycloaddition of nitrones to oxa(aza)bicyclic alkenes","Organic Chemistry Frontiers","2019","6","19","3360","","10.1039/C9QO00660E","","x-ray","0.71073","MoKα","","0.0775","0.0584","","","0.1265","0.1381","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554997","6.0211","0.0002","16.1241","0.0005","20.634","0.0005","90","","90","","90","","2003.25","0.1","127","2","127","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N4 O4 S -","- C21 H18 N4 O4 S -","- C84 H72 N16 O16 S4 -","4","1","","Li, Shi-Wu; Du, Yu; Kang, Qiang","A chiral-at-metal asymmetric catalyzed vinylogous Michael addition of ortho-methyl aromatic nitro compounds for isoxazole derivative synthesis","Organic Chemistry Frontiers","2019","6","15","2775","","10.1039/C9QO00676A","","","1.54184","CuKα","","0.104","0.0916","","","0.2275","0.2394","","","","","","1.064","","","","has coordinates","238261","2020-10-21","18:00:00",""
"1554999","10.438","0.005","10.7","0.005","15.172","0.007","80.197","0.009","70.129","0.009","79.638","0.009","1556.7","1.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 O6 -","- C40 H32 O6 -","- C80 H64 O12 -","2","1","","Wang, Wenli; Tang, Yingzhan; Liu, Yongxiang; Yuan, Lei; Wang, Jian; Lin, Bin; Zhou, Di; Sun, Lu; Huang, Renbin; Chen, Gang; Li, Ning","Isolation, structure elucidation, and synthesis of (±)-millpuline A with a suppressive effect in miR-144 expression","Organic Chemistry Frontiers","2019","6","16","2850","","10.1039/C9QO00678H","","","0.71073","MoKα","","0.1055","0.0518","","","0.1228","0.1488","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555001","19.861","0.008","13.383","0.005","18.29","0.007","90","","117.363","0.011","90","","4318","3","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N4 Ni O2 -","- C44 H40 N4 Ni O2 -","- C176 H160 N16 Ni4 O8 -","4","1","","Ren, Demin; Fu, Xinliang; Li, Xiaofang; Koniarz, Sebastian; Chmielewski, Piotr J.","Reaction of antiaromatic porphyrinoid with active methylene compounds","Organic Chemistry Frontiers","2019","6","16","2924","","10.1039/C9QO00679F","","","0.71073","MoKα","","0.1009","0.0543","","","0.1273","0.1625","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555002","14.1112","0.001","4.6513","0.0003","21.124","0.0014","90","","99.827","0.002","90","","1366.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Mei, Xiangui; Lan, Mengmeng; Cui, Guodong; Zhang, Hongwei; Zhu, Weiming","Caerulomycins from Actinoalloteichus cyanogriseus WH1-2216-6: isolation, identification and cytotoxicity","Organic Chemistry Frontiers","2019","6","20","3566","","10.1039/C9QO00685K","","","1.54178","CuKα","","0.0757","0.0542","","","0.1284","0.1494","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555009","15.8263","0.0007","7.7607","0.0003","15.9189","0.0008","90","","106.393","0.002","90","","1875.73","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O S -","- C24 H20 O S -","- C96 H80 O4 S4 -","4","1","","Liu, Changqing; Wang, Bo; Guo, Ziyi; Zhang, Jitan; Xie, Meihua","Metal-free cascade rearrangement/radical addition/oxidative C–H annulation of propargyl alcohols with sodium sulfinates: access to 2-sulfenylindenones","Organic Chemistry Frontiers","2019","6","15","2796","","10.1039/C9QO00688E","","","0.71073","MoKα","","0.1035","0.0665","","","0.1751","0.2046","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555010","7.3464","0.0002","8.5371","0.0003","15.0907","0.0005","95.337","0.001","91.518","0.001","104.361","0.001","911.69","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cl F O S -","- C22 H14 Cl F O S -","- C44 H28 Cl2 F2 O2 S2 -","2","1","","Liu, Changqing; Wang, Bo; Guo, Ziyi; Zhang, Jitan; Xie, Meihua","Metal-free cascade rearrangement/radical addition/oxidative C–H annulation of propargyl alcohols with sodium sulfinates: access to 2-sulfenylindenones","Organic Chemistry Frontiers","2019","6","15","2796","","10.1039/C9QO00688E","","","0.71073","MoKα","","0.0517","0.0415","","","0.1053","0.1133","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555013","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555014","12.6219","0.0011","16.3765","0.0013","16.6547","0.0014","90","","100.607","0.004","90","","3383.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N2 O6 -","- C38 H32 N2 O6 -","- C152 H128 N8 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.114","0.0825","","","0.1806","0.2071","","","","","","1.132","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555015","4.6619","0.0004","23.4349","0.0019","12.2946","0.0013","90","","97.466","0.006","90","","1331.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.0936","0.0531","","","0.1186","0.1434","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555016","12.8844","0.0013","13.9073","0.0013","20.6328","0.0019","98.862","0.007","106.525","0.007","94.899","0.007","3469.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1869","0.138","","","0.384","0.42","","","","","","1.446","","","","has coordinates","238272","2020-10-21","18:00:00",""
"1555017","12.8709","0.0004","15.6947","0.0004","16.5272","0.0005","90","","92.507","0.002","90","","3335.38","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C144 H120 N16 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.1505","0.0713","","","0.1979","0.2596","","","","","","0.997","","","","has coordinates","238272","2020-10-21","18:00:00",""
"1555020","42.263","0.003","7.4986","0.0007","12.0012","0.001","90","","93.813","0.003","90","","3794.9","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6,15,16-Tetrahydro-5,16-epoxyhexacene","","- C26 H18 O -","- C26 H18 O -","- C208 H144 O8 -","8","1","","Han, Jian; Liu, Xinbang; Li, Yu; Lou, Zihao; Yi, Mingdong; Kong, Huihui; Luo, Jun","New synthetic approaches for hexacene and its application in thin-film transistors","Organic Chemistry Frontiers","2019","6","16","2839","","10.1039/C9QO00708C","","","0.71073","MoKα","","0.0784","0.058","","","0.1579","0.1726","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555023","11.0804","0.0003","12.2799","0.0005","13.6018","0.0004","75.764","0.003","84.604","0.003","89.194","0.003","1785.88","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","2","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","0.71073","MoKα","","0.0668","0.0441","","","0.0931","0.1062","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555024","8.5534","0.0008","5.4976","0.0002","37.5979","0.0018","90","","93.982","0.006","90","","1763.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","1.54184","CuKα","","0.0824","0.0571","","","0.1361","0.1614","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555025","6.4787","0.0005","10.7989","0.0007","16.2052","0.0006","79.201","0.004","85.566","0.005","73.057","0.007","1065.03","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F3 N O2 -","- C26 H18 F3 N O2 -","- C52 H36 F6 N2 O4 -","2","1","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","1.54184","CuKα","","0.1246","0.0857","","","0.2528","0.2922","","","","","","1.06","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555027","10.465","0.002","9.797","0.002","22.032","0.005","90","","95.834","0.003","90","","2247.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O3 S -","- C28 H22 O3 S -","- C112 H88 O12 S4 -","4","1","","Yang, Tao; Kou, Peihao; Jin, Fengyan; Song, Xian-Rong; Bai, Jiang; Ding, Haixin; Xiao, Qiang; Liang, Yong-Min","TFA-promoted sulfonation/cascade cyclization of 2-propynolphenols with sodium sulfinates to 4-sulfonyl 2H-chromenes under metal-free conditions","Organic Chemistry Frontiers","2019","6","17","3162","","10.1039/C9QO00712A","","","0.71073","MoKα","","0.0562","0.0448","","","0.1104","0.1194","","","","","","1.093","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555029","5.9669","0.0002","11.4767","0.0003","21.9463","0.0007","90","","96.78","0.001","90","","1492.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Zhu, Cheng-Zhi; Wei, Yin; Shi, Min","Rhodium(ii)-catalyzed divergent intramolecular tandem cyclization of N- or O-tethered cyclohexa-2,5-dienones with 1-sulfonyl-1,2,3-triazole: synthesis of cyclopropa[cd]indole and benzofuran derivatives","Organic Chemistry Frontiers","2019","6","16","2884","","10.1039/C9QO00714H","","","0.71073","MoKα","","0.0367","0.0331","","","0.086","0.0891","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555030","7.1629","0.0002","10.9804","0.0004","12.5285","0.0004","102.431","0.001","97.658","0.001","98.768","0.001","936.85","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C42 H32 Br2 N2 O8 S2 -","2","1","","Zhu, Cheng-Zhi; Wei, Yin; Shi, Min","Rhodium(ii)-catalyzed divergent intramolecular tandem cyclization of N- or O-tethered cyclohexa-2,5-dienones with 1-sulfonyl-1,2,3-triazole: synthesis of cyclopropa[cd]indole and benzofuran derivatives","Organic Chemistry Frontiers","2019","6","16","2884","","10.1039/C9QO00714H","","","0.71073","MoKα","","0.0411","0.0368","","","0.1009","0.1042","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555032","9.0601","0.0008","9.927","0.0009","13.5869","0.0012","82.759","0.002","78.19","0.001","83.39","0.002","1181.56","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O4 S -","- C27 H20 N2 O4 S -","- C54 H40 N4 O8 S2 -","2","1","","Zhang, Tian-Shu; Wang, Rong; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Silver-catalyzed nitration/annulation of 2-alkynylanilines for a tunable synthesis of nitrated indoles and indazole-2-oxides","Organic Chemistry Frontiers","2019","6","16","2968","","10.1039/C9QO00715F","","","0.71073","MoKα","","0.1066","0.0529","","","0.1289","0.1465","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555033","12.7222","0.0013","31.291","0.003","7.7018","0.0007","90","","104.211","0.003","90","","2972.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.25 H25.5 Cl0.5 N3 O6 S2 -","- C29.25 H25.5 Cl0.5 N3 O6 S2 -","- C117 H102 Cl2 N12 O24 S8 -","4","1","","Zhang, Tian-Shu; Wang, Rong; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Silver-catalyzed nitration/annulation of 2-alkynylanilines for a tunable synthesis of nitrated indoles and indazole-2-oxides","Organic Chemistry Frontiers","2019","6","16","2968","","10.1039/C9QO00715F","","","0.71073","MoKα","","0.1485","0.0679","","","0.1797","0.2115","","","","","","1.034","","","","has coordinates,has disorder","238282","2020-10-21","18:00:00",""
"1555035","17.9223","0.0005","20.5932","0.0006","21.0729","0.0007","90","","100.834","0.003","90","","7638.9","0.4","151","2","151","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H73 Cl10 N3 Pd -","- C88 H73 Cl10 N3 Pd -","- C352 H292 Cl40 N12 Pd4 -","4","0.5","","Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou","Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination","Organic Chemistry Frontiers","2019","6","18","3292","","10.1039/C9QO00726A","","","1.54184","CuKα","","0.0821","0.075","","","0.2099","0.2229","","","","","","1.089","","","","has coordinates,has disorder","238284","2020-10-21","18:00:00",""
"1555036","17.6466","0.0004","20.7167","0.0005","20.3473","0.0008","90","","95.896","0.003","90","","7399.2","0.4","281.05","0.1","281.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H65 Cl2 N3 O2 Pd -","- C84 H65 Cl2 N3 O2 Pd -","- C336 H260 Cl8 N12 O8 Pd4 -","4","0.5","","Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou","Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination","Organic Chemistry Frontiers","2019","6","18","3292","","10.1039/C9QO00726A","","","1.54178","CuKα","","0.0542","0.0384","","","0.0838","0.0909","","","","","","0.995","","","","has coordinates","238284","2020-10-21","18:00:00",""
"1555038","8.3117","0.0002","17.2043","0.0004","8.3018","0.0002","90","","103.231","0.001","90","","1155.62","0.05","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","","Guo, Xiaowei; Wang, Jidong; Su, Can; Liu, Chongxi; Ma, Xiao-Yan; Yu, Zhiyin; Li, Jiansong; Wang, Xiangjing; Xiang, Wensheng; Huang, Sheng-Xiong","A unique spiro-β-triazinedione-γ-hydantoin type alkaloid with antiviral activity against tobacco mosaic virus from Streptomyces gamaensis","Organic Chemistry Frontiers","2019","6","18","3215","","10.1039/C9QO00742C","","","1.54178","CuKα","","0.0485","0.0477","","","0.1252","0.126","","","","","","0.674","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555040","9.3448","0.0005","11.2047","0.0008","12.9889","0.0008","106.439","0.006","97.223","0.005","112.631","0.006","1160.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O9 S -","- C23 H25 N O9 S -","- C46 H50 N2 O18 S2 -","2","1","","Xing, Siyang; Xia, Hanyu; Wang, Xin; Wu, Die; Xu, Xinrui; Su, Yunran; Wang, Kui; Zhu, Bolin; Guo, Junshuo","Diastereoselective access to 2-aminoindanones via the rhodium(ii)-catalyzed tandem reaction involving O–H insertion and Michael addition","Organic Chemistry Frontiers","2019","6","17","3121","","10.1039/C9QO00765B","","x-ray","0.71073","MoKα","","0.0626","0.0482","","","0.114","0.1288","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555042","9.1302","0.0003","9.1578","0.0005","10.226","0.0004","108.986","0.004","98.417","0.003","114.037","0.004","698.83","0.07","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H38 N O5 -","- C33 H38 N O5 -","- C33 H38 N O5 -","1","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","A chiral auxiliary-based synthesis of the C5‒C17 trans-decalin framework of anthracimycin","Organic Chemistry Frontiers","2019","6","16","2954","","10.1039/C9QO00769E","","","1.54184","CuKα","","0.0448","0.0436","","","0.1154","0.1169","","","","","","1.054","","","","has coordinates","238290","2020-10-21","18:00:00",""
"1555043","11.9189","0.0004","6.5987","0.0002","26.7335","0.001","90","","100.124","0.004","90","","2069.83","0.12","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H28 O10 -","- C25 H28 O10 -","- C100 H112 O40 -","4","1","","Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua","Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013","Organic Chemistry Frontiers","2019","6","18","3252","","10.1039/C9QO00775J","","x-ray","1.54184","CuKα","","0.0344","0.0329","","","0.0901","0.0909","","","","","","1.0239","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555046","7.7957","0.0007","10.1827","0.0006","12.7574","0.0008","79.033","0.005","76.634","0.007","77.369","0.006","950.96","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O6 -","- C23 H20 O6 -","- C46 H40 O12 -","2","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","0.71073","MoKα","","0.0829","0.053","","","0.1189","0.1395","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555047","10.0036","0.0011","15.567","0.0013","8.7599","0.0011","90","","100.953","0.011","90","","1339.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O2 -","- C16 H11 Br O2 -","- C64 H44 Br4 O8 -","4","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0661","0.0403","","","0.0957","0.1132","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555048","25.676","0.002","4.1792","0.0004","24.335","0.003","90","","112.38","0.014","90","","2414.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","0.71073","MoKα","","0.1134","0.0687","","","0.1635","0.2052","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555049","14.7414","0.0004","8.7416","0.0003","16.409","0.0005","90","","104.242","0.003","90","","2049.53","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0794","0.0626","","","0.1809","0.2038","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555050","14.6483","0.0003","17.4042","0.0004","15.2455","0.0004","90","","94.817","0.002","90","","3872.99","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl O6 -","- C22 H17 Cl O6 -","- C176 H136 Cl8 O48 -","8","2","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0746","0.0613","","","0.169","0.1846","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555054","8.8935","0.0001","14.433","0.0001","15.7451","0.0001","90","","92.016","0.001","90","","2019.79","0.03","286","5","286","5","","","","","","","fungus","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0425","0.0413","","","0.1123","0.1134","","","","","","1.083","","","","has coordinates,has disorder","238298","2020-10-21","18:00:00",""
"1555055","9.016","0.0002","9.3778","0.0002","10.636","0.0002","93.717","0.002","90.826","0.002","92.317","0.002","896.52","0.03","100.01","0.1","100.01","0.1","","","","","","","fungus","3","P -1","-P 1","2","","","","- C20 H20 O10 -","- C20 H20 O10 -","- C40 H40 O20 -","2","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A–E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0357","0.0326","","","0.0822","0.084","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555056","8.33914","0.00003","13.29606","0.00005","18.06836","0.00008","90","","90","","90","","2003.38","0.014","100","0.1","100","0.1","","","","","","","fungus","3","P c a 21","P 2c -2ac","29","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A–E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0219","0.0218","","","0.0559","0.0559","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555057","8.2302","0.0004","14.4554","0.0006","16.2394","0.0007","90","","90","","90","","1932.01","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A–E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","","1.54178","CuKα","","0.04","0.0382","","","0.116","0.1193","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555058","8.26703","0.00005","13.79202","0.00008","17.73644","0.0001","90","","102.392","0.0006","90","","1975.18","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O9 -","- C22 H23 N O9 -","- C88 H92 N4 O36 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A–E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0351","0.0331","","","0.0899","0.0913","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555062","10.7304","0.0004","18.6098","0.0005","9.9301","0.0004","90","","115.595","0.004","90","","1788.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 -","- C23 H19 F3 -","- C92 H76 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0447","0.0395","","","0.1059","0.1107","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555063","9.28774","0.00013","13.98378","0.00018","16.25245","0.00018","94.589","0.001","106.279","0.0011","98.2135","0.0011","1989.34","0.05","100","5","100","5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F3 O2 -","- C24 H21 F3 O2 -","- C96 H84 F12 O8 -","4","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0393","0.0384","","","0.0955","0.0962","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555064","8.7646","0.0001","10.6788","0.0002","20.8962","0.0003","90","","94.821","0.001","90","","1948.87","0.05","100","3","100","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 O2 -","- C24 H20 F4 O2 -","- C96 H80 F16 O8 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0406","0.0367","","","0.0976","0.101","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555065","9.7671","0.0005","10.3099","0.0004","19.8876","0.0007","92.41","0.003","96.248","0.004","107.45","0.004","1893.23","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C96 H84 F12 -","4","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0722","0.0529","","","0.1186","0.1314","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555066","8.8501","0.0009","10.1181","0.0012","11.7209","0.001","98.214","0.009","105.322","0.009","103.258","0.009","961.85","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F3 O2 -","- C24 H21 F3 O2 -","- C48 H42 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.1198","0.0868","","","0.2319","0.2604","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555067","9.9918","0.0002","10.2089","0.0002","10.5751","0.0002","91.174","0.002","116.274","0.002","107.926","0.002","904.65","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C46 H38 F6 O2 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0344","0.033","","","0.0884","0.0897","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555068","8.9463","0.0003","10.2875","0.0003","11.0964","0.0003","70.184","0.002","86.437","0.002","76.947","0.002","935.84","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C48 H42 F6 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0536","0.0464","","","0.1316","0.1375","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555069","9.0216","0.0004","9.9831","0.0004","11.9107","0.0005","77.527","0.004","82.086","0.004","74.544","0.004","1005.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl F3 O2 -","- C24 H20 Cl F3 O2 -","- C48 H40 Cl2 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0419","0.0388","","","0.0981","0.1008","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555070","10.5544","0.0004","15.4584","0.0006","12.2743","0.0004","90","","102.702","0.004","90","","1953.59","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 -","- C25 H23 F3 -","- C100 H92 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0489","0.0398","","","0.0928","0.0984","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555071","11.6641","0.0003","9.1396","0.0002","17.3076","0.0004","90","","95.883","0.002","90","","1835.36","0.08","100","3","100","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C96 H84 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0429","0.0377","","","0.1012","0.1051","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555072","9.02917","0.0002","9.25385","0.00019","11.1048","0.0002","87.5911","0.0016","80.5904","0.0018","78.3143","0.0018","896.36","0.03","100","3","100","3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Br F3 -","- C22 H16 Br F3 -","- C44 H32 Br2 F6 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0267","0.0247","","","0.0604","0.0615","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555073","9.2224","0.0005","10.2968","0.0005","11.9735","0.0005","74.791","0.004","80.463","0.004","72.449","0.005","1041.48","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl2 F3 O2 -","- C24 H19 Cl2 F3 O2 -","- C48 H38 Cl4 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.055","0.0484","","","0.1495","0.1574","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555074","21.8668","0.0005","10.36934","0.00016","18.0539","0.0004","90","","113.947","0.003","90","","3741.25","0.16","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C22 H15 Cl2 F3 -","- C22 H15 Cl2 F3 -","- C176 H120 Cl16 F24 -","8","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0502","0.0428","","","0.102","0.1068","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555075","10.1714","0.0003","36.8462","0.001","10.1929","0.0003","90","","103.732","0.003","90","","3710.88","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C192 H168 F24 -","8","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0618","0.0545","","","0.1489","0.1543","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555076","11.5733","0.0002","18.729","0.0004","19.4741","0.0004","90","","105.635","0.002","90","","4064.94","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 O2 -","- C25 H23 F3 O2 -","- C200 H184 F24 O16 -","8","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0398","0.0354","","","0.0901","0.0928","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555079","14.099","0.002","5.2916","0.0009","9.1495","0.0016","90","","101.496","0.007","90","","668.92","0.19","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","He, Guangke; Li, Yuan; Yu, Zilun; Chen, Zhaoqiang; Tang, Yongming; Song, Guangliang; Loh, Teck-Peng","Selectfluor™-catalyzed oxidative cyclization of ynamides enables facile synthesis of oxazolidine-2,4-diones","Organic Chemistry Frontiers","2019","6","21","3644","","10.1039/C9QO00845D","","","0.71073","MoKα","","0.0506","0.041","","","0.1183","0.1268","","","","","","1.067","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555081","4.12","0.0005","14.2279","0.0012","26.763","0.002","90","","94.268","0.008","90","","1564.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 I N3 S -","- C17 H12 I N3 S -","- C68 H48 I4 N12 S4 -","4","1","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","","0.71073","MoKα","","0.0518","0.0463","","","0.0962","0.0989","","","","","","1.124","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555082","10.1327","0.001","12.0719","0.0014","28.967","0.003","90","","90","","90","","3543.3","0.7","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O S2 -","- C19 H17 N O S2 -","- C152 H136 N8 O8 S16 -","8","1","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","x-ray","0.71073","MoKα","","0.1198","0.0634","","","0.1463","0.1848","","","","","","0.8505","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555084","6.1329","0.0008","40.065","0.005","10.6098","0.0015","90","","103.811","0.004","90","","2531.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F9 N O4 -","- C26 H16 F9 N O4 -","- C104 H64 F36 N4 O16 -","4","1","","He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng","Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers","Organic Chemistry Frontiers","2019","6","20","3575","","10.1039/C9QO00848A","","","0.71073","MoKα","","0.195","0.0971","","","0.2449","0.304","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555085","11.543","0.005","10.4","0.002","32.618","0.006","90","","90","","90","","3916","2","300","2","300.09","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H12 Cl F9 O -","- C19 H10 Cl F9 O -","- C152 H80 Cl8 F72 O8 -","8","2","","He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng","Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers","Organic Chemistry Frontiers","2019","6","20","3575","","10.1039/C9QO00848A","","","1.54178","CuKα","","0.0854","0.0712","","","0.2132","0.2395","","","","","","1.065","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1555087","7.1385","0.0009","7.5039","0.001","19.126","0.003","90","","90","","90","","1024.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C40 H36 F12 N8 O4 -","4","1","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","An enantioselective aza-Henry reaction of trifluoromethyl ketimines catalyzed by phase-transfer catalysts","Organic Chemistry Frontiers","2019","6","18","3269","","10.1039/C9QO00850K","","","0.71073","MoKα","","0.0883","0.0458","","","0.0892","0.1034","","","","","","0.933","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555088","7.2179","0.001","17.509","0.002","18.867","0.003","90","","100.172","0.008","90","","2346.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","1","","Yu, Yang; Zhang, Yan; Wang, Zhuo; Liang, Yong-Xin; Zhao, Yu-Long","A rhodium-catalyzed three-component reaction of arylisocyanides, trifluorodiazoethane, and activated methylene isocyanides or azomethine ylides: an efficient synthesis of trifluoroethyl-substituted imidazoles","Organic Chemistry Frontiers","2019","6","21","3657","","10.1039/C9QO00856J","","","1.54178","CuKα","","0.0619","0.042","","","0.0952","0.1026","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555092","10.1647","0.0009","17.2468","0.0015","20.8692","0.0018","90","","101.136","0.002","90","","3589.7","0.5","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 O8 -","- C46 H40 O8 -","- C184 H160 O32 -","4","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","x-ray","0.71073","MoKα","","0.0665","0.0432","","","0.0905","0.1004","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555093","16.5782","0.0011","28.2895","0.0019","17.3002","0.0011","90","","93.414","0.002","90","","8099.2","0.9","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H64 N10 O6 -","- C72 H64 N10 O6 -","- C288 H256 N40 O24 -","4","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","","0.71073","MoKα","","0.2255","0.1582","","","0.4204","0.4539","","","","","","1.472","","","","has coordinates,has disorder","238316","2020-10-21","18:00:00",""
"1555094","30.104","0.003","23.487","0.002","26.09","0.004","90","","121.557","0.001","90","","15719","3","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 N8 O8 -","- C76 H68.052 N8.052 O8 -","- C608 H544.416 N64.416 O64 -","8","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","","0.71073","MoKα","","0.2181","0.164","","","0.3643","0.3949","","","","","","1.034","","","","has coordinates,has disorder","238316","2020-10-21","18:00:00",""
"1555097","14.445","0.0009","6.6377","0.0003","15.6545","0.0006","90","","94.414","0.005","90","","1496.53","0.13","297.4","0.6","297.4","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N3 -","- C18 H14 Cl N3 -","- C72 H56 Cl4 N12 -","4","1","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","x-ray","0.71073","MoKα","","0.1144","0.0775","","","0.2213","0.2595","","","","","","1.046","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1555098","13.055","0.005","13.601","0.005","10.697","0.005","90","0.005","100.788","0.005","90","0.005","1865.8","1.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","","0.71073","MoKα","","0.077","0.0668","","","0.1683","0.1755","","","","","","1.071","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555099","9.293","0.005","13.946","0.005","16.068","0.005","114.567","0.005","99.86","0.005","93.392","0.005","1846.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 F N3 O2 -","- C23 H14 F N3 O2 -","- C92 H56 F4 N12 O8 -","4","2","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","","0.71073","MoKα","","0.0733","0.0461","","","0.1047","0.1164","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555101","8.9187","0.0005","14.6101","0.0009","16.5218","0.0009","90","","90","","90","","2152.8","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","BM6","","- C25 H22 F N O5 -","- C25 H22 F N O5 -","- C100 H88 F4 N4 O20 -","4","1","","Bhattacharya, Aditya; mani Shukla, Pushpendra; Kumar Kaushik, Lalit; Maji, Biswajit","Synthesis of chromans and kinetic resolution of 2-aryl-3-nitro-2H-chromenes via the NHC-bound azolium homoenolate pathway","Organic Chemistry Frontiers","2019","6","20","3523","","10.1039/C9QO00868C","","x-ray","0.71073","MoKα","","0.0976","0.0578","","","0.1202","0.1502","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555103","19.5977","0.0012","8.1238","0.0004","23.2996","0.0012","90","","90.182","0.005","90","","3709.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C176 H168 N8 O24 S8 -","8","1","","Chen, Xiaoyan; Zhou, Hao; Chen, Zhiyuan","Pd/P/dba-Promoted cascade annulations to produce fused medium-sized sulfoximine polyheterocycles","Organic Chemistry Frontiers","2019","6","19","3415","","10.1039/C9QO00880B","","","0.71073","MoKα","","0.0458","0.0412","","","0.1085","0.1121","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555104","8.199","0.0007","11.3055","0.0013","14.2419","0.0011","100.441","0.008","100.282","0.007","91.136","0.008","1275.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Br3 Cl2 N O3 S -","- C23 H22 Br3 Cl2 N O3 S -","- C46 H44 Br6 Cl4 N2 O6 S2 -","2","1","","Chen, Xiaoyan; Zhou, Hao; Chen, Zhiyuan","Pd/P/dba-Promoted cascade annulations to produce fused medium-sized sulfoximine polyheterocycles","Organic Chemistry Frontiers","2019","6","19","3415","","10.1039/C9QO00880B","","","0.71073","MoKα","","0.2451","0.1666","","","0.2851","0.3351","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555110","7.9759","0.0004","16.1628","0.0008","31.7213","0.0015","90","","90","","90","","4089.3","0.3","120","2","120","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 S -","- C26 H20 O3 S -","- C208 H160 O24 S8 -","8","2","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","0.71073","MoKα","","0.0458","0.0383","","","0.0854","0.089","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555111","5.7472","0.0002","16.912","0.0006","22.0104","0.0008","90","","90","","90","","2139.34","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O3 S -","- C27 H21 N O3 S -","- C108 H84 N4 O12 S4 -","4","1","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","1.54178","CuKα","","0.0265","0.0255","","","0.0627","0.0633","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555113","10.596","0.0005","11.6796","0.0005","12.6988","0.0006","69.855","0.004","70.549","0.004","88.791","0.004","1383.42","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H25 Cl N2 O5 -","- C33 H25 Cl N2 O5 -","- C66 H50 Cl2 N4 O10 -","2","2","","Wang, Zhen-Hua; Lei, Chuan-Wen; Zhang, Xia-Yan; You, Yong; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric domino 1,6-addition/annulation reaction of 3-cyano-4-alkenyl-2H-chromen-2-ones with isatin-derived MBH carbonates: enantioselective synthesis of 3,3′-cyclopentenylspirooxindoles bearing 2H-chromen-2-ones","Organic Chemistry Frontiers","2019","6","19","3342","","10.1039/C9QO00890J","","x-ray","1.54184","CuKα","","0.0499","0.0449","","","0.1108","0.1165","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555115","17.7343","0.0017","13.4538","0.0011","24.68","0.002","90","","94.67","0.003","90","","5868.9","0.9","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl N2 O3 -","- C33 H29 Cl N2 O3 -","- C264 H232 Cl8 N16 O24 -","8","2","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1516","0.0662","","","0.1679","0.2067","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555116","9.853","0.0014","14.0452","0.0018","15.201","0.002","111.663","0.004","93.543","0.005","102.84","0.004","1882","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N3 O7 -","- C44 H39 N3 O7 -","- C88 H78 N6 O14 -","2","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1855","0.0718","","","0.1451","0.1845","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555117","12.847","0.003","12.739","0.003","20.208","0.004","90","","96.73","0.006","90","","3284.4","1.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C132 H116 N12 O20 -","4","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1512","0.0833","","","0.2481","0.2858","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555118","10.1992","0.001","17.1094","0.0019","33.448","0.003","90","","90","","90","","5836.7","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 N2 O3 -","- C34 H28 Cl2 N2 O3 -","- C272 H224 Cl16 N16 O24 -","8","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1643","0.0727","","","0.1324","0.1624","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555120","9.2786","0.0006","9.5213","0.0006","15.4265","0.0006","75.673","0.004","76.438","0.004","71.3","0.005","1232.75","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N3 O5 P -","- C20 H40 N3 O5 P -","- C40 H80 N6 O10 P2 -","2","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Jugniot, Natacha; Marque, Sylvain R. A.; Massot, Philippe; Mellet, Philippe; Moussounda Moussounda Koumba, Tataye; Parzy, Elodie; Rivot, Angélique; Thiaudière, Eric; Voisin, Pierre; Wedl, Carina; Yamasaki, Toshihide","Enzymatic triggering of C–ON bond homolysis of alkoxyamines","Organic Chemistry Frontiers","2019","6","21","3663","","10.1039/C9QO00899C","","x-ray","1.54184","CuKα","","0.0601","0.0522","","","0.1447","0.1561","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555121","8.8282","0.0006","22.0666","0.0014","12.5309","0.0006","90","","96.936","0.005","90","","2423.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N3 O4 P -","- C20 H38 N3 O4 P -","- C80 H152 N12 O16 P4 -","4","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Jugniot, Natacha; Marque, Sylvain R. A.; Massot, Philippe; Mellet, Philippe; Moussounda Moussounda Koumba, Tataye; Parzy, Elodie; Rivot, Angélique; Thiaudière, Eric; Voisin, Pierre; Wedl, Carina; Yamasaki, Toshihide","Enzymatic triggering of C–ON bond homolysis of alkoxyamines","Organic Chemistry Frontiers","2019","6","21","3663","","10.1039/C9QO00899C","","x-ray","1.54184","CuKα","","0.0584","0.0477","","","0.1301","0.143","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555123","10.22","0.002","9.55","0.002","20.071","0.005","90","","93.737","0.013","90","","1954.8","0.7","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","1","","Li, Hexin; Zhang, Mengru; Mehfooz, Haroon; Zhu, Dongxia; Zhao, Jinbo; Zhang, Qian","Highly convergent modular access to poly-carbon substituted cyclopropanes via Cu(i)-catalyzed three-component cyclopropene carboallylation","Organic Chemistry Frontiers","2019","6","19","3387","","10.1039/C9QO00902G","","","1.54178","CuKα","","0.0749","0.0624","","","0.1446","0.153","","","","","","1.081","","","","has coordinates","238334","2020-10-21","18:00:00",""
"1555125","13.3229","0.0003","6.2024","0.0001","15.4655","0.0004","90","","115.145","0.003","90","","1156.87","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 Br Cl3 N2 O4 -","- C22 H18 Br Cl3 N2 O4 -","- C44 H36 Br2 Cl6 N4 O8 -","2","1","","Zhao, Mei-Xin; Liu, Qiang; Yu, Kun-Ming; Zhao, Xiao-Li; Shi, Min","Organocatalyzed asymmetric formal [3 + 2] cycloaddition of isocyanoacetates with N-itaconimides: facile access to optically active spiropyrroline succinimide derivatives","Organic Chemistry Frontiers","2019","6","23","3879","","10.1039/C9QO00939F","","x-ray","1.54184","CuKα","","0.0443","0.0424","","","0.1096","0.1112","","","","","","1.093","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555127","5.0942","0.0009","9.6532","0.0013","11.935","0.002","91.045","0.013","91.275","0.014","101.201","0.013","575.43","0.16","293.6","0.3","293.6","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F3 N O -","- C13 H10 F3 N O -","- C26 H20 F6 N2 O2 -","2","1","","Lu, Kui; Wei, Xianfu; Li, Quan; Li, Yuxuan; Ji, Liangshuo; Hua, Erbing; Dai, Yujie; Zhao, Xia","Synthesis of α-trifluoromethyl ethanone oximes via the three-component reaction of aryl-substituted ethylenes, tert-butyl nitrite, and the Langlois reagent","Organic Chemistry Frontiers","2019","6","22","3766","","10.1039/C9QO00940J","","x-ray","0.71073","MoKα","","0.1682","0.0938","","","0.2251","0.2822","","","","","","1.005","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555129","7.0302","0.0007","7.6119","0.0008","7.7844","0.0009","94.191","0.009","109.731","0.01","97.56","0.009","385.61","0.08","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H30 O4 -","- C15 H30 O4 -","- C15 H30 O4 -","1","1","","Song, Yin-Ping; Miao, Feng-Ping; Yin, Xiu-Li; Ji, Nai-Yun","Nitrogenous cyclonerane sesquiterpenes from an algicolous strain of Trichoderma asperellum","Organic Chemistry Frontiers","2019","6","21","3698","","10.1039/C9QO00942F","","","1.54178","CuKα","","0.0322","0.0315","","","0.0858","0.0865","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555131","5.168","0.0004","15.6589","0.0007","15.9344","0.0011","90","","90","","90","","1289.49","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N3 O2 S -","- C16 H9 N3 O2 S -","- C64 H36 N12 O8 S4 -","4","1","","Recio, Javier; Pérez-Redondo, Adrián; Alvarez-Builla, Julio; Burgos, Carolina","Access to 2-substituted 1-pyridin-3-yl-β-carboline derivatives by intramolecular radical cyclization-ring opening-SNAr substitution","Organic Chemistry Frontiers","2019","6","18","3300","","10.1039/C9QO00944B","","x-ray","0.71073","MoKα","","0.0688","0.0445","","","0.0842","0.0938","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555132","8.3252","0.0006","9.8395","0.0012","11.1869","0.0013","65.08","0.009","71.705","0.009","67.231","0.006","753.73","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br N3 O2 S -","- C16 H10 Br N3 O2 S -","- C32 H20 Br2 N6 O4 S2 -","2","1","","Recio, Javier; Pérez-Redondo, Adrián; Alvarez-Builla, Julio; Burgos, Carolina","Access to 2-substituted 1-pyridin-3-yl-β-carboline derivatives by intramolecular radical cyclization-ring opening-SNAr substitution","Organic Chemistry Frontiers","2019","6","18","3300","","10.1039/C9QO00944B","","x-ray","0.71073","MoKα","","0.047","0.036","","","0.082","0.0882","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555136","7.8518","0.0006","10.3592","0.0007","14.2099","0.0011","80.043","0.002","83.223","0.002","82.438","0.002","1123.12","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C54 H50 N2 O6 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0961","0.0492","","","0.11","0.1265","","","","","","1.018","","","","has coordinates,has disorder","238346","2020-10-21","18:00:00",""
"1555137","5.9034","0.0005","21.165","0.002","21.6677","0.0019","90","","91.308","0.003","90","","2706.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O3 S -","- C26 H22 Cl N O3 S -","- C104 H88 Cl4 N4 O12 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1789","0.0779","","","0.1912","0.2261","","","","","","1.035","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555138","9.3704","0.0005","10.2251","0.0006","11.2595","0.0006","76.2532","0.0018","78.5679","0.0016","75.2513","0.0017","1002.43","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl N O3 S -","- C24 H18 Cl N O3 S -","- C48 H36 Cl2 N2 O6 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0459","0.038","","","0.0971","0.1024","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555139","7.8538","0.0006","13.4956","0.001","17.2047","0.0016","90","","101.145","0.003","90","","1789.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O4 S -","- C23 H17 N O4 S -","- C92 H68 N4 O16 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0785","0.0505","","","0.1115","0.1231","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555140","13.0035","0.0011","15.8463","0.0012","9.5395","0.0009","90","","101.719","0.003","90","","1924.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O5 S -","- C23 H16 N2 O5 S -","- C92 H64 N8 O20 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0768","0.047","","","0.104","0.1169","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555141","7.3838","0.0011","11.2551","0.0015","24.298","0.003","90","","90","","90","","2019.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1009","0.0506","","","0.0889","0.1005","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555142","9.2819","0.0008","23.5334","0.0017","10.2751","0.0007","90","","111.152","0.003","90","","2093.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 S2 -","- C24 H21 N O3 S2 -","- C96 H84 N4 O12 S8 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1492","0.0716","","","0.1659","0.1995","","","","","","1.017","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555143","8.2024","0.0004","10.5566","0.0005","11.0975","0.0005","68.8504","0.0013","79.7504","0.0014","71.2427","0.0014","846.51","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O5 S -","- C20 H15 N O5 S -","- C40 H30 N2 O10 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.043","0.0349","","","0.0879","0.092","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555144","11.095","0.003","12.561","0.004","24.147","0.007","90","","93.088","0.009","90","","3360.3","1.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H30 N2 O3 S2 -","- C37 H30 N2 O3 S2 -","- C148 H120 N8 O12 S8 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1246","0.0827","","","0.228","0.2418","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555145","8.9049","0.0008","14.0612","0.0012","22.343","0.002","90","","93.263","0.003","90","","2793.1","0.4","273","2","273","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","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.2165","0.093","","","0.2271","0.2662","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555146","18.289","0.001","13.2118","0.0008","24.2095","0.0013","90","","91.165","0.0019","90","","5848.5","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Cl2 N2 O3 S2 -","- C35 H22 Cl2 N2 O3 S2 -","- C280 H176 Cl16 N16 O24 S16 -","8","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1565","0.0735","","","0.1527","0.1821","","","","","","1.025","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555147","7.6623","0.0005","10.2269","0.0007","19.008","0.0013","102.84","0.002","91.559","0.002","103.009","0.002","1410.29","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C64 H56 N4 O8 S4 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.092","0.0706","","","0.178","0.1879","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555150","20.6626","0.0008","10.3356","0.0004","13.6724","0.0005","90","","123.325","0.002","90","","2439.76","0.17","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34.5 F3 N O1.25 -","- C25 H34 F3 N O4.25 -","- C100 H136 F12 N4 O17 -","4","1","","Sampaio-Dias, Ivo E.; Silva-Reis, Sara C.; Pinto da Silva, Luís; García-Mera, Xerardo; Maestro, Miguel A.; Rodríguez-Borges, José E.","Mechanistic insights for the transprotection of tertiary amines with Boc2O via charged carbamates: access to both enantiomers of 2-azanorbornane-3-exo-carboxylic acids","Organic Chemistry Frontiers","2019","6","20","3540","","10.1039/C9QO00957D","","","0.71073","MoKα","","0.0434","0.041","","","0.1123","0.1181","","","","","","1.083","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555152","33.942","0.004","11.5163","0.0011","9.4629","0.0009","90","","99.03","0.004","90","","3653.1","0.7","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni","Diastereoselective bicyclization of enynols via gold catalysis","Organic Chemistry Frontiers","2019","6","20","3584","","10.1039/C9QO00963A","","","0.71073","MoKα","","0.1147","0.0516","","","0.1011","0.1309","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555153","7.3872","0.0002","10.8747","0.0003","16.4977","0.0004","90","","90","","90","","1325.32","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni","Diastereoselective bicyclization of enynols via gold catalysis","Organic Chemistry Frontiers","2019","6","20","3584","","10.1039/C9QO00963A","","","1.54184","CuKα","","0.0307","0.0306","","","0.0833","0.0835","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555156","11.8298","0.0002","17.6502","0.0003","13.5929","0.0002","90","","90.058","0.001","90","","2838.17","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O7 -","- C30 H38 O7 -","- C120 H152 O28 -","4","1","","Feng, Ziwen; Yuan, Zhenbo; Zhao, Xiaobin; Huang, Yue; Yao, Hequan","A [4 + 1] annulation of ortho-electrophile-substituted para-quinone methides for the synthesis of indanes and isoindolines","Organic Chemistry Frontiers","2019","6","20","3535","","10.1039/C9QO00977A","","","1.54178","CuKα","","0.0809","0.0702","","","0.1876","0.2034","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555157","11.2677","0.0001","10.9396","0.0001","24.121","0.0003","90","","93.117","0.001","90","","2968.86","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N2 O6 -","- C31 H38 N2 O6 -","- C124 H152 N8 O24 -","4","1","","Feng, Ziwen; Yuan, Zhenbo; Zhao, Xiaobin; Huang, Yue; Yao, Hequan","A [4 + 1] annulation of ortho-electrophile-substituted para-quinone methides for the synthesis of indanes and isoindolines","Organic Chemistry Frontiers","2019","6","20","3535","","10.1039/C9QO00977A","","","1.54178","CuKα","","0.0543","0.0487","","","0.1368","0.143","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555159","10.0737","0.0005","6.1334","0.00019","13.8766","0.0006","90","","107.776","0.005","90","","816.45","0.06","109.2","0.5","109.2","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A–C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0376","0.037","","","0.0938","0.0945","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555160","8.594","0.0003","11.8962","0.0008","13.1105","0.0005","90","","90","","90","","1340.36","0.11","109.65","0.1","109.65","0.1","","","","","","","Clitocybe Clavipes","3","P 21 21 21","P 2ac 2ab","19","clavilactone A","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A‒C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0389","0.0384","","","0.0986","0.0991","","","","","","1.09","","","","has coordinates","238356","2020-10-21","18:00:00",""
"1555164","11.6812","0.0011","6.6839","0.001","13.6312","0.001","90","","90","","90","","1064.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H6 Cl2 O S -","- C11 H6 Cl2 O S -","- C44 H24 Cl8 O4 S4 -","4","0.5","","Wang, Ting; An, Zhenyu; Qi, Zhenjie; Zhuang, Daijiao; Chang, Aosheng; Yang, Yunxia; Yan, Rulong","Ring-opening/annulation reaction of cyclopropyl ethanols: concise access to thiophene aldehydes via C–S bond formation","Organic Chemistry Frontiers","2019","6","21","3705","","10.1039/C9QO01014A","","","0.71073","MoKα","","0.0773","0.0459","","","0.1039","0.1271","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555166","9.5954","0.0004","12.6894","0.0004","11.2412","0.0004","90","","112.927","0.004","90","","1260.6","0.09","100","0.3","100","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C56 H48 Cl2 N6 O8 S2 -","2","1","","Zhang, Haoran; Li, Shiwu; Kang, Qiang; Du, Yu","Chiral-at-metal rhodium(iii) complex catalyzed enantioselective synthesis of C2-substituted benzofuran derivatives","Organic Chemistry Frontiers","2019","6","21","3683","","10.1039/C9QO01022J","","","1.54184","CuKα","","0.0477","0.0402","","","0.089","0.0936","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555168","10.8289","0.0002","10.4035","0.0002","17.1866","0.0003","90","","103.19","0.002","90","","1885.14","0.06","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H18 N2 O6 Si -","- C19 H18 N2 O6 Si -","- C76 H72 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0279","0.0274","","","0.0735","0.0741","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555169","5.9864","0.0001","18.2027","0.0004","21.5323","0.0004","90","","90","","90","","2346.35","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 Si -","- C25 H22 N2 O6 Si -","- C100 H88 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0383","0.0344","","","0.0848","0.0875","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555173","25.9119","0.0007","7.4654","0.0002","11.5725","0.0003","90","","107.999","0.001","90","","2129.06","0.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A–D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.053","0.0525","","","0.1389","0.1396","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555174","12.7263","0.0005","18.5197","0.0007","24.0727","0.0009","90","","90","","90","","5673.6","0.4","100","2","100","2","","","","","","","Penicillium expansum YJ-15","3","P 21 21 21","P 2ac 2ab","19","","expanstine D","","- C22 H30.66667 O4.33333 -","- C22 H30.6667 O4.33333 -","- C264 H368 O52 -","12","3","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A–D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.0494","0.0427","","","0.1223","0.1322","","","","","","0.987","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555176","20.3875","0.0007","20.3875","0.0007","7.4174","0.0003","90","","90","","120","","2669.99","0.17","100","2","100","2","","","","","","","Fungal Co-culture of Epicoccum sp. and Armillaria sp.","3","P 65","P 65","170","","Epicorpenoid A","","- C18 H26 O6 -","- C18 H26 O6 -","- C108 H156 O36 -","6","1","","Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao","Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.","Organic Chemistry Frontiers","2019","6","23","3847","","10.1039/C9QO01087D","","","1.54178","CuKα","","0.0256","0.0254","","","0.0844","0.0852","","","","","","0.831","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555178","10.4723","0.0007","12.7127","0.0009","12.7391","0.0009","113.157","0.007","97.019","0.006","110.996","0.006","1385.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27.62 N2 O6 -","- C34 H26.08 N2 O6 -","- C68 H52.16 N4 O12 -","2","1","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","x-ray","0.71073","MoKα","","0.1197","0.0784","","","0.2369","0.2764","","","","","","1.071","","","","has coordinates,has disorder","238371","2020-10-21","18:00:00",""
"1555179","12.287","0.0013","13.2979","0.0016","27.85","0.004","86.66","0.013","90","","90","","4542.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H52 N2 O7 -","- C51 H52 N2 O7 -","- C204 H208 N8 O28 -","4","2","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","","0.71073","MoKα","","0.2354","0.107","","","0.2667","0.349","","","","","","1.008","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555180","32.9549","0.0008","12.7486","0.0002","24.5123","0.0006","90","","90","","90","","10298.3","0.4","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H28 N2 O6 -","- C31.4775 H25.2 N2 O6 -","- C503.64 H403.2 N32 O96 -","16","4","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","x-ray","1.54184","CuKα","","0.1779","0.1534","","","0.3425","0.3669","","","","","","1.351","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555182","11.6007","0.0008","5.7368","0.0005","15.0074","0.001","90","","101.62","0.007","90","","978.29","0.13","293.8","0.4","293.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 O5 -","- C25 H18 O5 -","- C50 H36 O10 -","2","1","","Zhang, Song; Yu, Xiaojun; Pan, Jianke; Jiang, Chunhui; Zhang, Hongsu; Wang, Tianli","Asymmetric synthesis of spiro-structural 2,3-dihydrobenzofurans via the bifunctional phosphonium salt-promoted [4 + 1] cyclization of ortho-quinone methides with α-bromoketones","Organic Chemistry Frontiers","2019","6","22","3799","","10.1039/C9QO01096C","","x-ray","1.54184","CuKα","","0.0635","0.0579","","","0.1605","0.1702","","","","","","1.039","","","","has coordinates","238373","2020-10-21","18:00:00",""
"1555184","11.4043","0.0011","9.8807","0.001","25.367","0.003","90","","93.04","0.003","90","","2854.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","","0.71073","MoKα","","0.1091","0.0465","","","0.0967","0.1238","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555185","24.4812","0.0004","7.9863","0.0001","25.3899","0.0003","90","","103.221","0.001","90","","4832.51","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O8 -","- C26 H37 N O8 -","- C208 H296 N8 O64 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","x-ray","1.54184","CuKα","","0.0582","0.0577","","","0.1522","0.1526","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555186","8.3885","0.0001","24.6653","0.0002","19.7148","0.0001","90","","97.294","0.001","90","","4046.08","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C176 H232 N8 O40 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","x-ray","1.54184","CuKα","","0.0458","0.0435","","","0.1068","0.1084","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555189","11.1372","0.0011","8.2426","0.0008","12.2345","0.0012","90","","110.187","0.001","90","","1054.13","0.18","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0434","0.0336","","","0.0807","0.086","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555190","26.476","0.004","9.6581","0.0015","9.1391","0.0014","90","","98.974","0.003","90","","2308.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0634","0.0416","","","0.0848","0.095","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555191","8.784","0.003","9.976","0.003","12.349","0.004","90","","90.656","0.005","90","","1082.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0609","0.0472","","","0.1244","0.1376","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555193","13.65","0.003","9.7451","0.0019","19.194","0.004","90","","105.2","0.03","90","","2463.9","1","293","2","293","2","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","7-(2H-Indazol-2-yl)-11-tosyl-6a,11a-dihydro-11H-benzo[a]carbazole","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C120 H92 N12 O8 S4 -","4","1","","Vivek Kumar, Sundaravel; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Rh-Catalyzed C–C/C–N bond formation via C–H activation: synthesis of 2H-indazol-2-yl-benzo[a]carbazoles","Organic Chemistry Frontiers","2019","6","23","3885","","10.1039/C9QO01120J","","","0.71073","MoKα","","0.0793","0.053","","","0.1282","0.1483","","","","","","1.023","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555195","9.8054","0.0005","11.1916","0.0005","13.8588","0.0006","102.001","0.002","100.882","0.001","107.337","0.001","1367.85","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N3 O3 S -","- C31 H29 N3 O3 S -","- C62 H58 N6 O6 S2 -","2","1","","Wang, Fei; Xu, Pei; Liu, Bei-Bei; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed multicomponent reaction of sulfonyl azides, primary amines and methyl α-isocyanoacetates: highly efficient synthesis of tetrasubstituted imidazolone derivatives","Organic Chemistry Frontiers","2019","6","22","3754","","10.1039/C9QO01122F","","","0.71073","MoKα","","0.1029","0.0647","","","0.1392","0.1555","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555198","8.4028","0.0002","8.4685","0.0002","18.8231","0.0005","90","","91.121","0.002","90","","1339.18","0.06","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","","0.71073","MoKα","","0.0432","0.0365","","","0.0881","0.0926","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555199","28.7181","0.0008","16.094","0.0004","7.4702","0.0002","90","","90","","90","","3452.65","0.16","100","2","99.98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","","0.71073","MoKα","","0.0623","0.047","","","0.0946","0.1004","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555200","8.899","0.008","16.027","0.013","21.774","0.019","90","","90","","90","","3106","5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.1027","0.0676","","","0.1251","0.1376","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555201","14.7127","0.0013","13.2097","0.0016","27.114","0.003","90","","97.327","0.009","90","","5226.6","1","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 N4 O3 -","- C35 H24 N4 O3 -","- C280 H192 N32 O24 -","8","2","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.092","0.0563","","","0.1316","0.1489","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555202","16.535","0.0007","8.4288","0.0004","22.1228","0.0009","90","","90","","90","","3083.3","0.2","100","","100.16","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0729","0.0557","","","0.1381","0.1519","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555203","8.36","0.005","9.772","0.004","13.225","0.006","79.646","0.011","71.931","0.019","81.249","0.016","1005","0.9","100","2","99.96","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C56 H38 N6 O4 -","2","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0594","0.0511","","","0.1406","0.1468","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555204","14.667","0.004","9.231","0.003","15.139","0.004","90","","107.187","0.008","90","","1958.2","1","100","","100.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Br2 N2 O2 -","- C23 H16 Br2 N2 O2 -","- C92 H64 Br8 N8 O8 -","4","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0254","0.0212","","","0.0497","0.051","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555205","18.714","0.003","15.974","0.003","12.0964","0.0018","90","","90","","90","","3616.1","1","100","2","99.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C200 H144 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0605","0.0423","","","0.0983","0.109","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555209","28.8585","0.0006","28.8585","0.0006","37.617","0.0004","90","","90","","120","","27130.8","0.8","100","2","100","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C44.4 H38.4 N1.2 S1.8 -","- C44.4 H38.4 N1.2 S1.8 -","- C888 H768 N24 S36 -","20","1.66667","","Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K.","Core-modified 48π and 42π decaphyrins: syntheses, properties and structures","Organic Chemistry Frontiers","2019","6","22","3746","","10.1039/C9QO01162E","","","1.54184","CuKα","","0.0697","0.0421","","","0.0947","0.1041","","","","","","0.828","","","","has coordinates","238390","2020-10-21","18:00:00",""
"1555210","8.69725","0.00017","10.9283","0.0002","20.5323","0.0005","84.0758","0.0017","88.6243","0.0018","67.6514","0.0018","1795.05","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N4 S3 -","- C42 H34 N4 S3 -","- C84 H68 N8 S6 -","2","1","","Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K.","Core-modified 48π and 42π decaphyrins: syntheses, properties and structures","Organic Chemistry Frontiers","2019","6","22","3746","","10.1039/C9QO01162E","","x-ray","1.54184","CuKα","","0.0852","0.0779","","","0.2323","0.2367","","","","","","1.092","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1555212","10.0558","0.0007","10.1395","0.0005","18.5575","0.001","90","","98.819","0.006","90","","1869.77","0.19","292.9","0.1","292.9","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Jiao, Meng-Jie; Liu, Dan; Hu, Xiu-Qin; Xu, Peng-Fei","Photocatalytic decarboxylative [2 + 2 + 1] annulation of 1,6-enynes with N-hydroxyphthalimide esters for the synthesis of indene-containing polycyclic compounds","Organic Chemistry Frontiers","2019","6","23","3834","","10.1039/C9QO01166H","","x-ray","0.71073","MoKα","","0.1486","0.1088","","","0.2683","0.3231","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555215","9.2204","0.0018","24.665","0.005","11.584","0.002","90","","105.11","0.03","90","","2543.4","0.9","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Zhao, Hong-Wu; Guo, Jia-Ming; Wang, Li-Ru; Ding, Wan-Qiu; Tang, Zhe; Song, Xiu-Qing; Wu, Hui-Hui; Fan, Xiao-Zu; Bi, Xiao-Fan","Diastereoselective formal [3 + 3] cycloaddition of isatin-based α-(trifluoromethyl)imines with N,N′-dialkyloxyureas","Organic Chemistry Frontiers","2019","6","23","3891","","10.1039/C9QO01181A","","","0.71073","MoKα","","0.0779","0.0556","","","0.1249","0.137","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555217","12.15","0.002","12.226","0.0015","26.113","0.004","99.044","0.006","97.039","0.018","99.079","0.011","3739.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H86 Na5 O29.95 S5 -","- C63.25 H86 Na5 O29.95 S5 -","- C126.5 H172 Na10 O59.9 S10 -","2","1","","Pisagatti, Ilenia; Barbera, Lucia; Gattuso, Giuseppe; Parisi, Melchiorre F.; Geremia, Silvano; Hickey, Neal; Notti, Anna","Guest-length driven high fidelity self-sorting in supramolecular capsule formation of calix[5]arenes in water","Organic Chemistry Frontiers","2019","6","22","3804","","10.1039/C9QO01188A","","x-ray","0.7","Synchrotron","","0.1558","0.1449","","","0.37","0.3778","","","","","","1.036","","","","has coordinates,has disorder","238397","2020-10-21","18:00:00",""
"1556109","16.649","0.002","19.163","0.002","27.224","0.003","90","","90","","89.58","","8685.4","1.7","180","2","180","2","","","","","","","","8","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C67.5 H54.5 Br2 Cl2 N2 O6 P2 Ru -","- C67.46 H48 Br2 Cl2 N2 O6 P2 Ru -","- C269.84 H192 Br8 Cl8 N8 O24 P8 Ru4 -","4","2","","Xu, Yingjian; Alcock, Nat W.; Clarkson, Guy J.; Docherty, Gordon; Woodward, Gary; Wills, Martin","Asymmetric hydrogenation of ketones using a ruthenium(II) catalyst containing BINOL-derived monodonor phosphorus-donor ligands.","Organic letters","2004","6","22","4105","4107","10.1021/ol0481840","","","0.71073","MoKα","","0.212","0.0962","","","0.2069","0.2447","","","","","","0.85","","","","has coordinates,has disorder","243471","2020-10-21","18:00:00",""
"1556264","9.7994","0.0003","12.6632","0.0003","14.5262","0.0004","96.185","0.001","99.296","0.002","109.868","0.001","1647.14","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 B2 O6 -","- C34 H52 B2 O6 -","- C68 H104 B4 O12 -","2","1","","Metzler, Lukas; Reichenbach, Thomas; Brügner, Oliver; Komber, Hartmut; Lombeck, Florian; Müllers, Stefan; Hanselmann, Ralf; Hillebrecht, Harald; Walter, Michael; Sommer, Michael","High molecular weight mechanochromic spiropyran main chain copolymers via reproducible microwave-assisted Suzuki polycondensation","Polymer Chemistry","2015","6","19","3694","","10.1039/C5PY00141B","","","0.71073","MoKα","","0.0541","0.0423","","","0.1169","0.1214","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556560","13.987","0.0007","15.1052","0.0009","14.8741","0.0007","90","","107.659","0.0013","90","","2994.5","0.3","163","","163","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0477","0.0388","","","0.0797","0.086","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556561","13.9697","0.0007","15.0061","0.0007","14.9113","0.0006","90","","107.843","0.0013","90","","2975.5","0.2","108","","108","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0448","0.0331","","","0.0631","0.0671","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556562","9.5145","0.0003","19.2573","0.0007","20.4459","0.0007","90","","100.727","0.001","90","","3680.7","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B2 Cl2 Co Dy N12 O4 -","- C34 H30 B2 Cl2 Co Dy N12 O4 -","- C136 H120 B8 Cl8 Co4 Dy4 N48 O16 -","4","1","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0345","0.0259","","","0.0535","0.056","","","","","","1.041","","","","has coordinates","245058","2020-10-21","18:00:00",""
"1556563","28.34","0.004","12.5017","0.0016","26.031","0.003","90","","112.042","0.001","90","","8548.6","1.9","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Dy2 F36 N4 O12 S2 -","- C72 H50 Dy2 F36 N4 O12 S2 -","- C288 H200 Dy8 F144 N16 O48 S8 -","4","0.5","","Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M.","Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge","Inorganics","2018","6","","9","","10.3390/inorganics6010009","","","0.71073","MoKα","","0.1066","0.0784","","","0.2007","0.2358","","","","","","1.033","","","","has coordinates,has disorder","245059","2020-10-21","18:00:00",""
"1556564","11.7047","0.0003","19.6164","0.0001","20.8522","0.0002","71.022","0.008","79.601","0.009","70.806","0.007","4261.3","0.3","96.1","0.2","96.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Dy2 F36 N4 O12 S2 -","- C72 H50 Dy2 F36 N4 O12 S2 -","- C144 H100 Dy4 F72 N8 O24 S4 -","2","1","","Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M.","Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge","Inorganics","2018","6","","9","","10.3390/inorganics6010009","","","0.71073","MoKα","","0.0434","0.0365","","","0.0928","0.0963","","","","","","0.978","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556580","10.4542","0.0005","12.3869","0.0006","10.614","0.0005","90","","117.912","0.001","90","","1214.57","0.1","100","2","99.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H36 F6 N O6 P Si2 -","- C14 H36 F6 N O6 P Si2 -","- C28 H72 F12 N2 O12 P2 Si4 -","2","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0207","0.0203","","","0.0528","0.0529","","","","","","1.076","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556581","14.9582","0.0007","12.6454","0.0006","16.3325","0.0008","90","","104.95","0.002","90","","2984.8","0.2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C19 H38 Cl2 F6 N O6 P Si2 -","- C19.0007 H37.9984 Cl2.0007 F6 N O6 P Si2 -","- C76.0028 H151.994 Cl8.0028 F24 N4 O24 P4 Si8 -","4","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0635","0.0535","","","0.1267","0.1329","","","","","","1.035","","","","has coordinates,has disorder","245201","2020-10-21","18:00:00",""
"1556582","13.06","0.006","19.92","0.01","21.49","0.011","65.028","0.006","87.853","0.007","89.408","0.007","5064","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H47 Al3 F3 N6 O9 -","- C65 H47 Al3 F3 N6 O9 -","- C130 H94 Al6 F6 N12 O18 -","2","1","","Yin, H.-Y.; Lai, J.; Tang, J.; Shang, Y.; Zhang, J.-L.","A Cryptand-Type Aluminum Tris(salophen) Complex: Synthesis, Characterization, and Cell Imaging Application","Inorganics","2018","6","","20","","10.3390/inorganics6010020","","","0.71073","MoKα","","0.0991","0.0556","","","0.1471","0.1635","","","","","","1.014","","","","has coordinates","245202","2020-10-21","18:00:00",""
"1556583","17.338","0.0016","18.0108","0.0017","22.317","0.002","90","","90","","90","","6969","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H58 Si8 -","- C22 H58 Si8 -","- C176 H464 Si64 -","8","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0251","0.0218","","","0.0583","0.0619","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556584","15.7323","0.0017","11.7003","0.0013","21.031","0.002","90","","107.188","0.001","90","","3698.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 K Si7 -","- C26 H57 K Si7 -","- C104 H228 K4 Si28 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0256","0.0234","","","0.0624","0.0642","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556585","9.0608","0.0019","37.64","0.008","11.263","0.002","90","","103.23","0.002","90","","3739.3","1.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H64 Si8 -","- C25 H64 Si8 -","- C100 H256 Si32 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.078","0.0729","","","0.1784","0.1806","","","","","","1.335","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556586","9.0529","0.0003","11.9109","0.0004","19.1793","0.0007","93.948","0.001","90.181","0.001","109.133","0.001","1948.47","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H57 Br Si7 -","- C33 H57 Br Si7 -","- C66 H114 Br2 Si14 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0306","0.0263","","","0.0679","0.0701","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556587","17.7493","0.0008","9.0323","0.0004","23.7624","0.001","90","","91.283","0.001","90","","3808.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 Si7 -","- C33 H58 Si7 -","- C132 H232 Si28 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.037","0.032","","","0.0808","0.0847","","","","","","1.038","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556588","11.9302","0.0009","12.8081","0.001","15.7049","0.0013","95.628","0.002","98.481","0.002","90.755","0.002","2361.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H66 Si6 -","- C51 H66 Si6 -","- C102 H132 Si12 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0458","0.035","","","0.0885","0.0954","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556589","11.4093","0.0011","15.6821","0.0015","19.5623","0.0019","84.802","0.001","75.911","0.001","71.975","0.001","3227.8","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H98 O0 Si14 -","- C38 H98 Si14 -","- C76 H196 Si28 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0309","0.0266","","","0.0716","0.0759","","","","","","1.039","","","","has coordinates","245209","2020-10-21","18:00:00",""
"1556590","11.9277","0.0007","19.21","0.0011","28.2172","0.0016","90","","90","","90","","6465.4","0.6","120","2","120","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C232 H352 Cl8 F48 Ir8 N24 O12 P8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0487","0.0287","","","0.0502","0.0563","","","","","","1.022","","","","has coordinates,has disorder","245210","2020-10-21","18:00:00",""
"1556591","22.6979","0.0012","20.6402","0.001","28.5118","0.0013","90","","90","","90","","13357.5","1.1","100","2","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 F18 Ir2 K N6 O2 P3 -","- C54 H80 Cl2 F18 Ir2 K N6 O2 P3 -","- C432 H640 Cl16 F144 Ir16 K8 N48 O16 P24 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","1.54178","CuKα","","0.0486","0.0356","","","0.0835","0.0918","","","","","","1.038","","","","has coordinates,has disorder","245211","2020-10-21","18:00:00",""
"1556592","12.1218","0.001","19.268","0.0015","28.333","0.002","90","","90","","90","","6617.5","0.9","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C232 H352 Cl8 F48 N24 O12 P8 Rh8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0659","0.0468","","","0.1268","0.1394","","","","","","1.029","","","","has coordinates,has disorder","245212","2020-10-21","18:00:00",""
"1556593","15.7258","0.0015","7.9668","0.0008","16.0813","0.0014","90","","90","","90","","2014.7","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0767","0.0552","","","0.1415","0.157","","","","","","1.018","","","","has coordinates,has disorder","245213","2020-10-21","18:00:00",""
"1556594","9.568","0.0003","16.9878","0.0004","16.0384","0.0005","90","","106.868","0.003","90","","2494.71","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 In N2 -","- C25 H37 In N2 -","- C100 H148 In4 N8 -","4","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0311","0.0245","","","0.0601","0.0646","","","","","","1.05","","","","has coordinates,has disorder","245214","2020-10-21","18:00:00",""
"1556595","11.5312","0.0003","18.7807","0.0005","19.0639","0.0005","90","","100.916","0.003","90","","4053.85","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Ga N2 O -","- C38 H47 Ga N2 O -","- C152 H188 Ga4 N8 O4 -","4","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0556","0.0373","","","0.0871","0.0947","","","","","","1.029","","","","has coordinates","245215","2020-10-21","18:00:00",""
"1556596","28.4159","0.0012","28.4159","0.0012","19.2051","0.001","90","","90","","90","","15507.4","1.2","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C38 H47 In N2 O -","- C38 H47 In N2 O -","- C608 H752 In16 N32 O16 -","16","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0859","0.0505","","","0.116","0.1532","","","","","","1.095","","","","has coordinates","245216","2020-10-21","18:00:00",""
"1556597","8.2231","0.0011","12.833","0.002","17.175","0.002","80.864","0.007","77.901","0.007","88.862","0.008","1749.5","0.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Dy O11 S -","- C32 H35 Dy O11 S -","- C64 H70 Dy2 O22 S2 -","2","1","","Khalfaoui, O.; Beghidja, A.; Long, J.; Beghidja, C.; Guari, Y.; Larionova, J.","Field-Induced Slow Relaxation in a Dinuclear Dysprosium(III) Complex Based on 3-Methoxycinnamic Acid","Inorganics","2018","6","","35","","10.3390/inorganics6010035","","","0.71073","MoKα","","0.0495","0.0354","","","0.0763","0.0816","","","","","","1.048","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556598","15.8351","0.0014","23.865","0.002","19.0098","0.0019","90","","101.191","0.004","90","","7047.3","1.1","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H73 Dy F18 O10 S4 -","- C63 H73 Dy F18 O10 S4 -","- C252 H292 Dy4 F72 O40 S16 -","4","1","","Flores Gonzalez, J.; Cador, O.; Ouahab, L.; Norkov, S.; Kuropatov, V.; Pointillart, F.","Field-Induced Dysprosium Single-Molecule Magnet Involving a Fused o-Semiquinone-Extended-Tetrathiafulvalene-o-Semiquinone Bridging Triad","Inorganics","2018","6","","45","","10.3390/inorganics6020045","","x-ray","0.71073","MoKα","","0.0681","0.0436","","","0.1003","0.1141","","","","","","0.967","","","","has coordinates","245218","2020-10-21","18:00:00",""
"1556601","19.78","0.001","19.78","0.001","20.291","0.001","90","","90","","90","","7938.8","0.7","170","2","170","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 S8 Zn4 -","- C56 H80 N32 S8 Zn4 -","- C112 H160 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2583","0.1616","","","0.3933","0.4359","","","","","","1.145","","","","has coordinates","245239","2020-10-21","18:00:00",""
"1556602","19.0949","0.0011","19.0949","0.0011","21.3112","0.0013","90","","90","","90","","7770.4","0.8","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C80 H64 N32 S8 Zn4 -","- C80 H64 N32 S8 Zn4 -","- C160 H128 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","x-ray","0.71073","MoKα","","0.2697","0.1635","","","0.3885","0.443","","","","","","1.189","","","","has coordinates","245240","2020-10-21","18:00:00",""
"1556603","20.065","0.002","20.065","0.002","19.1367","0.0018","90","","90","","90","","7704.5","1.3","170","2","170","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C48 H64 N32 Ni4 O S8 -","- C48 H64 N32 Ni4 O S8 -","- C96 H128 N64 Ni8 O2 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.3209","0.1743","","","0.4296","0.4928","","","","","","1.102","","","","has coordinates","245241","2020-10-21","18:00:00",""
"1556604","18.8863","0.0009","18.8863","0.0009","18.4813","0.001","90","","90","","90","","6592.1","0.6","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C40 H48 N32 Ni4 S8 -","- C40 H48 N32 Ni4 S8 -","- C80 H96 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2531","0.1191","","","0.3035","0.3937","","","","","","0.989","","","","has coordinates,has disorder","245242","2020-10-21","18:00:00",""
"1556605","20.4341","0.0015","20.4341","0.0015","19.355","0.0019","90","","90","","90","","8081.7","1.2","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 Ni4 S8 -","- C56 H80 N32 Ni4 S8 -","- C112 H160 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.161","0.1086","","","0.3048","0.3618","","","","","","1.224","","","","has coordinates","245243","2020-10-21","18:00:00",""
"1556606","18.4946","0.0009","18.4946","0.0009","18.193","0.0009","90","","90","","90","","6222.9","0.5","170","2","170","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C40 H48 N32 Ni4 O S8 -","- C40 H48 N32 Ni4 O S8 -","- C80 H96 N64 Ni8 O2 S16 -","2","0.25","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.1778","0.1231","","","0.3282","0.361","","","","","","1.216","","","","has coordinates","245244","2020-10-21","18:00:00",""
"1556607","11.04","0.002","19.136","0.004","27.568","0.006","90","","94.95","0.03","90","","5802","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H57 Dy N3 O14 P3 -","- C60 H57 Dy N3 O14 P3 -","- C240 H228 Dy4 N12 O56 P12 -","4","1","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0321","0.0312","","","0.0826","0.0833","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556608","16.0038","0.0008","16.5124","0.0008","26.6249","0.001","90","","90","","90","","7035.9","0.6","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C72 H60 Dy N3 O13 P4 -","- C72 H60 Dy N3 O13 P4 -","- C288 H240 Dy4 N12 O52 P16 -","4","0.5","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0869","0.0637","","","0.1669","0.1853","","","","","","1.124","","","","has coordinates,has disorder","245246","2020-10-21","18:00:00",""
"1556609","19.684","0.004","15.211","0.003","34.082","0.007","90","","95.91","0.03","90","","10150","4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H48 Cl3 Dy O3.5 P3 -","- C55.5 H48 Cl3 Dy O3.5 P3 -","- C444 H384 Cl24 Dy8 O28 P24 -","8","2","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0335","0.0322","","","0.0818","0.0826","","","","","","1.076","","","","has coordinates,has disorder","245247","2020-10-21","18:00:00",""
"1556610","35.8608","0.001","43.6134","0.0013","26.6974","0.0007","90","","96.885","0.003","90","","41454","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl3 Dy O4 P4 -","- C72 H60 Cl3 Dy O4 P4 -","- C1440 H1200 Cl60 Dy20 O80 P80 -","20","2.5","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.1075","0.064","","","0.145","0.1776","","","","","","1.022","","","","has coordinates","245248","2020-10-21","18:00:00",""
"1556611","19.4549","0.0002","19.8966","0.0003","19.9214","0.0003","90.301","0.001","96.296","0.001","115.612","0.001","6899.73","0.17","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Cl6 Dy Fe O4 P4 -","- C72 H60 Cl6 Dy Fe O4 P4 -","- C288 H240 Cl24 Dy4 Fe4 O16 P16 -","4","2","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0494","0.0377","","","0.0706","0.0745","","","","","","1.064","","","","has coordinates","245249","2020-10-21","18:00:00",""
"1556612","16.0557","0.0011","20.7694","0.0015","21.3136","0.0014","115.639","0.005","98.267","0.005","101.194","0.006","6073.6","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H112 F12 N4 O24 Ru4 S4 -","- C116 H112 F12 N4 O24 Ru4 S4 -","- C232 H224 F24 N8 O48 Ru8 S8 -","2","1","","Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.","Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application","Inorganics","2018","6","","97","","10.3390/inorganics6030097","","","0.71073","MoKα","","0.2609","0.0911","","","0.2228","0.2939","","","","","","0.836","","","","has coordinates","245250","2020-10-21","18:00:00",""
"1556613","5.0015","0.0006","16.944","0.002","11.5374","0.0015","90","","92.433","0.01","90","","976.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C56 H32 N4 -","2","1","","Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.","Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application","Inorganics","2018","6","","97","","10.3390/inorganics6030097","","","0.71073","MoKα","","0.2449","0.0799","","","0.1714","0.2388","","","","","","0.805","","","","has coordinates","245250","2020-10-21","18:00:00",""
"1556614","11.3287","0.0013","17.976","0.002","46.325","0.005","90","","90","","90","","9433.8","1.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H76 Si11 -","- C32 H76 Si11 -","- C256 H608 Si88 -","8","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0482","0.0377","","","0.0793","0.0839","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556615","11.5327","0.0018","17.883","0.003","21.56","0.003","69.416","0.002","85.458","0.002","76.379","0.002","4045.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65.5 H136 Si16 -","- C65.5 H136 Si16 -","- C131 H272 Si32 -","2","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0461","0.0357","","","0.0872","0.0941","","","","","","1.038","","","","has coordinates,has disorder","245252","2020-10-21","18:00:00",""
"1556616","21.538","0.002","17.9167","0.0019","20.793","0.003","90","","118.875","0.001","90","","7026.3","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H116 Si16 -","- C48 H116 Si16 -","- C192 H464 Si64 -","4","0.5","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0617","0.0363","","","0.0769","0.091","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556617","18.055","0.003","26.458","0.005","16.438","0.003","90","","90","","90","","7852","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H26 Cu I N6 -","- C17 H26 Cu I N6 -","- C272 H416 Cu16 I16 N96 -","16","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0581","0.0434","","","0.0951","0.1043","","","","","","1.095","","","","has coordinates","245254","2020-10-21","18:00:00",""
"1556618","7.1936","0.001","12.8127","0.0017","20.599","0.003","90","","93.439","0.002","90","","1895.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Br Cu N6 -","- C17 H26 Br Cu N6 -","- C68 H104 Br4 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0465","0.036","","","0.0857","0.09","","","","","","1.045","","","","has coordinates","245255","2020-10-21","18:00:00",""
"1556619","7.1451","0.001","12.7869","0.0017","20.53","0.003","90","","93.699","0.003","90","","1871.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl Cu N6 -","- C17 H26 Cl Cu N6 -","- C68 H104 Cl4 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0562","0.0414","","","0.098","0.1059","","","","","","1.035","","","","has coordinates","245256","2020-10-21","18:00:00",""
"1556620","15.234","0.003","8.1012","0.0014","17.631","0.003","90","","113.072","0.003","90","","2001.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl2 Cu N6 -","- C17 H26 Cl2 Cu N6 -","- C68 H104 Cl8 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0676","0.0471","","","0.1113","0.1199","","","","","","1.031","","","","has coordinates","245257","2020-10-21","18:00:00",""
"1556621","13.8689","0.0018","14.0995","0.0018","14.6916","0.0019","112.944","0.002","96.288","0.002","112.879","0.002","2319.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cu2 F6 N12 O6 S2 -","- C36 H52 Cu2 F6 N12 O6 S2 -","- C72 H104 Cu4 F12 N24 O12 S4 -","2","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.061","0.0446","","","0.1035","0.1092","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1558798","15.36","0.0006","13.8978","0.0005","18.4909","0.0008","90","","103.452","0.0011","90","","3839","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0569","0.0485","","","0.1201","0.1245","","","","","","1.091","","","","has coordinates","255120","2020-10-21","18:00:00",""
"1558799","11.7178","0.0013","36.427","0.004","16.1388","0.0017","90","","104.503","0.007","90","","6669.2","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H86 B2 Fe N6 O2 -","- C324 H344 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.1132","0.0645","","","0.1647","0.2157","","","","","","1.057","","","","has coordinates","255121","2020-10-21","18:00:00",""
"1558800","15.4749","0.0007","13.9637","0.0006","18.888","0.0009","90","","103.392","0.007","90","","3970.5","0.3","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B Fe N4 O2 -","- C46 H46 B Fe N4 O2 -","- C184 H184 B4 Fe4 N16 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.0598","0.0492","","","0.1205","0.1285","","","","","","1.117","","","","has coordinates","255123","2020-10-21","18:00:00",""
"1558801","11.5785","0.0004","36.8734","0.001","16.5868","0.0005","90","","103.385","0.007","90","","6889.2","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Fe N6 O2 -","- C81 H81 B2 Fe N6 O2 -","- C324 H324 B8 Fe4 N24 O8 -","4","1","","Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi","Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer","Magnetochemistry","2020","6","3","29","","10.3390/magnetochemistry6030029","","","0.71075","MoKα","","0.135","0.0673","","","0.1473","0.1747","","","","","","1.011","","","","has coordinates","255124","2020-10-21","18:00:00",""
"1559275","19.6105","0.0006","15.8275","0.0005","20.3903","0.0006","90","","90","","90","","6328.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N9 O6 -","- C29 H31 Co N9 O6 -","- C232 H248 Co8 N72 O48 -","8","1","","Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit","Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes","Magnetochemistry","2020","6","4","45","","10.3390/magnetochemistry6040045","","","0.71073","MoKα","","0.0812","0.0607","","","0.1813","0.197","","","","","","1.095","","","","has coordinates","258173","2020-10-21","18:00:00",""
"1559930","9.9522","0.0005","7.8338","0.0004","10.6286","0.0005","90","","110.972","0.002","90","","773.75","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-bis(4-methoxybenzylidene) Ethylenediamine","(E,E)-N,N'-1,2-Ethanediylbis[1-(4-methoxyphenyl)methanimine]","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Ndiolene, Adrienne; Diop, Tidiane; Sembene Boye, Mouhamadou; Maris, Thierry; Diasse-Sar, Aminata","Synthesis, Spectroscopic Studies and Crystal Structures of N,N'-bis(4-methoxybenzylidene) Ethylenediamine and its New Cadmium(II) Complex","American Journal Of Heterocyclic Chemistry","2020","6","","30","35","10.11648/j.ajhc.20200602.13","","x-ray","1.54178","CuKα","","0.0448","0.0425","","","0.1156","0.1186","","","","","","1.07","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:42",""
"1559962","12.9774","0.0005","14.6762","0.0007","16.775","0.0006","66.578","0.004","77.956","0.003","81.343","0.004","2859","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ~3~-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ~3~-oxido-heptamanganese(II,III) ethanol octasolvate","","- C98 H135 Mn7 N8 O40 -","- C84 H102 Mn7 N8 O33 -","- C84 H102 Mn7 N8 O33 -","1","0.5","BH4058","Saha, Arpita; Padgett, Clifford W.; LeMagueres, Pierre; Moncur, Kiana; Onajobi, Glory","Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate","IUCrData","2021","6","1","x201643","","10.1107/S2414314620016430","","x-ray","0.71073","MoKα","","0.0619","0.0479","","","0.1338","0.1412","","","","","","1.07","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:52",""
"1560014","7.4548","0.0009","22.976","0.003","8.3149","0.001","90","","115.866","0.003","90","","1281.5","0.3","282","","282.34","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","XU4042","Chen, Lin; Hu, Jin; Sun, Hong-Shun","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","IUCrData","2021","6","1","x210018","","10.1107/S2414314621000183","","x-ray","0.71073","MoKα","","0.0769","0.0601","","","0.1427","0.1532","","","","","","1.053","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:31",""
"1560235","8.7181","0.0002","10.723","0.0003","11.2096","0.0003","113.035","0.001","91.4395","0.0012","107.402","0.0011","908.09","0.04","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","HB4374","Yoo, Miri; Koh, Dongsoo","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","IUCrData","2021","6","1","x210096","","10.1107/S2414314621000961","","","0.71073","MoKα","","0.0708","0.0461","","","0.1121","0.1258","","","","","","1.048","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560251","8.639","0.008","20.045","0.012","8.116","0.005","90","","101.326","0.005","90","","1378.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","HB4371","Huang, Houshi; Wu, Zhichao","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","IUCrData","2021","6","2","x201640","","10.1107/S2414314620016405","","","0.71073","MoKα","","0.0502","0.0452","","","0.1206","0.125","","","","","","1.034","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560295","8.9944","0.0004","11.325","0.0006","14.4042","0.0007","90","","90","","90","","1467.23","0.12","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptammonium iodide","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","BT4107","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bufotenidinium iodide","IUCrData","2021","6","2","x210123","","10.1107/S2414314621001231","","","0.71073","MoKα","","0.0141","0.0132","","","0.0309","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:32",""
"1560366","8.204","0.003","9.7","0.005","11.33","0.005","80.975","0.015","81.242","0.017","78.726","0.017","866.4","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","","- C20 H22 B N O2 -","- C20 H22 B N O2 -","- C40 H44 B2 N2 O4 -","2","1","TK4068","Kanagawa, Mayu; Akagi, Kazuto; Okuno, Tsunehisa","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","2","x210142","","10.1107/S2414314621001425","","","0.71075","MoKα","","0.0663","0.0536","","","0.1371","0.1478","","","","","","1.04","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560436","7.4781","0.0001","7.4781","0.0001","33.0219","0.001","90","","90","","90","","1846.65","0.07","150","","150","","","","","","","","","3","P 43","P 4cw","78","","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","2","HB4372","Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","IUCrData","2021","6","2","x210167","","10.1107/S241431462100167X","","x-ray","0.71073","MoKα","","0.0689","0.0598","","","0.1642","0.1822","","","","","","1.0523","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560437","11.9747","0.0006","15.6483","0.0007","17.8804","0.0008","90","","95.292","0.004","90","","3336.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","","- C28 H40 Cd2 Cl4 N6 O -","- C28 H40 Cd2 Cl4 N6 O -","- C112 H160 Cd8 Cl16 N24 O4 -","4","1","HB4375","Al-Sudani, Abdul-Razak H.; Abdulridha, Myasim Qasim; Kariuki, Benson M.","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","IUCrData","2021","6","2","x210150","","10.1107/S2414314621001504","","","0.71073","MoKα","","0.0667","0.0361","","","0.0714","0.0861","","","","","","1.046","","","","has coordinates,has Fobs","262023","2021-02-17","06:14:01",""
"1560706","10.6982","0.0003","19.8473","0.0008","16.7642","0.0006","90","","90","","90","","3559.5","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","","- C19 H22 F N5 O -","- C19 H22 F N5 O -","- C152 H176 F8 N40 O8 -","8","1","BT4108","Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","IUCrData","2021","6","2","x210159","","10.1107/S2414314621001590","","","0.71073","MoKα","","0.1099","0.0689","","","0.1659","0.194","","","","","","1.141","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1560707","25.375","0.0004","25.375","0.0004","8.6456","0.0002","90","","90","","90","","5566.82","0.18","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","","- C30 H31 N O3 S2 -","- C30 H31 N O3 S2 -","- C240 H248 N8 O24 S16 -","8","1","BV4035","Vinotha, G.; Sundar, T. V.; Sharmila, N.","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","IUCrData","2021","6","2","x210210","","10.1107/S2414314621002108","","","0.71073","MoKα","","0.0557","0.043","","","0.1038","0.1102","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","262302","2021-02-27","06:15:23",""
"1560708","18.248","0.004","10.304","0.002","27.541","0.006","90","","101.41","0.03","90","","5076.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","","- C28 H24 N3 O6.5 -","- C28 H24 N3 O6.5 -","- C224 H192 N24 O52 -","8","2","XU4043","Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","IUCrData","2021","6","2","x210057","","10.1107/S2414314621000572","","","0.71073","MoKα","","0.2491","0.104","","","0.16","0.2129","","","","","","1.198","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1561313","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","HB4379","Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G.","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","IUCrData","2021","6","3","x210309","","10.1107/S2414314621003096","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates,has Fobs","263398","2021-03-28","06:00:32",""
"1561398","37.196","0.004","4.8441","0.0004","5.584","0.0004","90","","90","","90","","1006.13","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","0.5","BT4110","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","IUCrData","2021","6","3","x210314","","10.1107/S241431462100314X","","","1.54184","CuKα","","0.0912","0.0624","","","0.1523","0.1715","","","","","","1.046","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561399","10.009","0.002","10.118","0.002","10.498","0.002","117.451","0.004","97.465","0.004","96.344","0.004","917.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquadodeca-μ~2~-iodido-hexatantalum diiodide tetrahydrate","","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","1","0.5","WM4145","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-iodido-octahedro-hexatantalum diiodide tetrahydrate","IUCrData","2021","6","3","x210304","","10.1107/S2414314621003047","","","0.71073","MoKα","","0.0328","0.0249","","","0.0487","0.0512","","","","","","1.071","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:52",""
"1561633","5.4887","0.0009","9.247","0.0012","27.457","0.002","90","","94.75","0.01","90","","1388.8","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C56 H48 N16 O12 S4 -","4","1","HB4377","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","IUCrData","2021","6","4","x210322","","10.1107/S2414314621003229","","x-ray","0.71073","MoKα","","0.0968","0.061","","","0.1326","0.1534","","","","","","1.039","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561634","9.7398","0.0004","4.654","0.0002","20.1866","0.0009","90","","100.842","0.004","90","","898.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","","- C16 H12 Cl4 N2 O4 -","- C16 H12 Cl4 N2 O4 -","- C32 H24 Cl8 N4 O8 -","2","0.5","HB4380","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","IUCrData","2021","6","4","x210318","","10.1107/S2414314621003187","","","1.54184","CuKα","","0.0613","0.0525","","","0.1391","0.1526","","","","","","1.026","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561635","8.1123","0.0004","15.8713","0.0009","27.6155","0.0014","90","","90","","90","","3555.6","0.3","120","0.1","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","","- C22 H20 O3 -","- C22 H20 O3 -","- C176 H160 O24 -","8","1","HB4378","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","IUCrData","2021","6","4","x210356","","10.1107/S2414314621003564","","x-ray","0.71073","MoKα","","0.0612","0.0402","","","0.0973","0.1065","","","","1.5413","1.5413","1.4369","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561636","7.664","0.003","9.876","0.003","13.018","0.005","91.602","0.012","104.301","0.013","101.729","0.013","931.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-amino-4-methylthiophene-3-carboxylate","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","2","BT4112","Khanum, Ghazala; Fatima, Aysha; Sharma, Pooja; Srivastava, S. K.; Butcher, Ray J.","Ethyl 2-amino-4-methylthiophene-3-carboxylate","IUCrData","2021","6","4","x210351","","10.1107/S2414314621003515","","","0.71073","MoKα","","0.084","0.0566","","","0.15","0.1684","","","","","","1.028","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561637","6.0518","0.0002","27.7837","0.0007","6.9028","0.0002","90","","90.497","0.002","90","","1160.6","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","","- C11 H15 Br N2 O2 -","- C11 H15 Br N2 O2 -","- C44 H60 Br4 N8 O8 -","4","2","BT4109","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","IUCrData","2021","6","4","x210335","","10.1107/S2414314621003357","","x-ray","1.54184","CuKα","","0.0553","0.0546","","","0.1339","0.1343","","","","2.3377","2.3377","2.3049","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561708","7.9855","0.0009","13.5742","0.0015","17.6103","0.0019","90","","91.463","0.004","90","","1908.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","4-(2,3-Dichlorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H15 Cl2 N5 O7 -","- C16 H15 Cl2 N5 O7 -","- C64 H60 Cl8 N20 O28 -","4","1","BV4037","Sathya, Udhayasuriyan; Nirmal Ram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Ramu, Shyamaladevi; Jegan Jennifer, Samson; Ibrahim, Abdul Razak","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","IUCrData","2021","6","4","x210379","","10.1107/S2414314621003795","","","0.71073","MoKα","","0.0802","0.052","","","0.1285","0.1499","","","","","","1.014","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1561945","7.2866","0.0005","8.5212","0.0006","12.1832","0.0008","71.376","0.001","81.745","0.001","83.682","0.001","707.76","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","","- C11 H13 Br2 N O4 -","- C11 H13 Br2 N O4 -","- C22 H26 Br4 N2 O8 -","2","1","HB4381","Noland, Wayland E.; Herzig, Ryan J.; Fox, Renee C.; Tritch, Kenneth J.","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","IUCrData","2021","6","4","x210391","","10.1107/S2414314621003916","","","0.71073","MoKα","","0.0326","0.0262","","","0.0622","0.0649","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:34",""
"1561946","12.3428","0.0006","8.4603","0.0004","16.0543","0.0006","90","","92.881","0.004","90","","1674.33","0.13","93.15","","93.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","","- C8 H22 Cl2 N4 O9 Zn -","- C8 H22 Cl2 N4 O9 Zn -","- C32 H88 Cl8 N16 O36 Zn4 -","4","1","VM4048","Ichimaru, Yoshimi; Kato, Koichi; Kurosaki, Hiromasa; Fujioka, Haruto; Sakai, Misa; Yamaguchi, Yoshihiro; Wanchun, Jin; Sugiura, Kirara; Imai, Masanori; Koike, Tohru","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","IUCrData","2021","6","4","x210397","","10.1107/S2414314621003977","","x-ray","1.54184","CuKα","","0.0758","0.0665","","","0.1811","0.1856","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:52",""
"1562056","9.5944","0.0003","12.7606","0.0004","18.0312","0.0006","73.9951","0.0018","79.1246","0.0018","75.2203","0.0017","2035.09","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","Quinine dihydrochloride monohydrate","4-[(5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate","","- C40 H54 Cl4 N4 O5 -","- C40 H54 Cl4 N4 O5 -","- C80 H108 Cl8 N8 O10 -","2","2","BV4036","Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Quinine dihydrochloride hemihydrate","IUCrData","2021","6","4","x210406","","10.1107/S2414314621004065","","","0.71073","MoKα","","0.0552","0.0379","","","0.0826","0.0898","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:34",""
"1562181","9.5057","0.0004","29.3757","0.0017","16.5679","0.0008","90","","96.127","0.002","90","","4599.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","","- C30 H19 I N2 -","- C30 H19 I N2 -","- C240 H152 I8 N16 -","8","2","HB4376","Yan, Dan","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","4","x210428","","10.1107/S2414314621004284","","","0.71073","MoKα","","0.0526","0.0386","","","0.0823","0.0879","","","","","","1.044","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1562346","8.2294","0.0004","8.4573","0.0005","14.0115","0.0007","90","","93.974","0.004","90","","972.83","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","0.5","HB4382","Schmitt, Volker; Holzmann, Gideon; Schollmeyer, Dieter; Detert, Heiner","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","IUCrData","2021","6","4","x210443","","10.1107/S2414314621004430","","","0.71073","MoKα","","0.0519","0.0431","","","0.1046","0.1119","","","","","","1.048","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:34",""
"1562429","9.961","0.0008","8.9243","0.0007","9.7204","0.0007","90","","106.943","0.003","90","","826.59","0.11","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","","- C15 H14 Co F6 N2 P -","- C15 H14 Co F6 N2 P -","- C30 H28 Co2 F12 N4 P2 -","2","1","BV4038","Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","IUCrData","2021","6","5","x210460","","10.1107/S2414314621004600","","","0.71073","MoKα","","0.0456","0.0373","","","0.0896","0.0932","","","","","","1.045","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1562505","11.4373","0.0002","9.2045","0.0001","13.9862","0.0002","90","","112.03","0.002","90","","1364.89","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","ZL4043","Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine)","IUCrData","2021","6","5","x210451","","10.1107/S241431462100451X","","","1.54184","CuKα","","0.0459","0.0442","","","0.1272","0.129","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301787","2025-08-18","22:19:35",""
"1562564","8.4465","0.0003","10.296","0.0004","12.1699","0.0004","91.24","0.001","95.072","0.001","92.102","0.001","1053.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Sivapriya, S.; Priyanka, S.; Gopalakrishnan, M.; Manikandan, H.; Selvanayagam, S.","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","IUCrData","2021","6","5","x210500","","10.1107/S2414314621005009","","","0.71073","MoKα","","0.0919","0.0636","","","0.1805","0.2105","","","","","","0.973","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:35",""
"1562819","7.3179","0.0004","8.0093","0.0004","17.5057","0.0009","91.8513","0.0018","92.9102","0.0018","116.684","0.0016","913.82","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-({[2-(Dimethylamino)ethyl]azanediyl}bis(methylene))bis(4,6-difluorophenolato)]dioxidomolybdenum(VI))","","- C18 H18 F4 Mo N2 O4 -","- C18 H18 F4 Mo N2 O4 -","- C36 H36 F8 Mo2 N4 O8 -","2","1","PK4033","Bowen, Christina L.; Wile, Bradley M.","Dioxidomolybdenum(VI) complex featuring a 2,4-difluoro-substituted amine bis(phenolate) ligand","IUCrData","2021","6","5","x210516","","10.1107/S2414314621005162","","","0.71073","MoKα","","0.0219","0.0192","","","0.0478","0.049","","","","","","1.121","","","","has coordinates,has Fobs","265455","2021-05-22","05:18:56",""
"1562858","13.088","0.0018","13.8413","0.0018","22.771","0.003","75.588","0.005","76.138","0.004","74.316","0.004","3780.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-\ nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","","- C86 H74 Fe N18 O5.5 -","- C86 H74 Fe N18 O5.5 -","- C172 H148 Fe2 N36 O11 -","2","1","BH4061","Fan, Yingying; Li, Jianfeng","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","IUCrData","2021","6","5","","","10.1107/S2414314621005319","","","0.71073","MoKα","","0.1024","0.0701","","","0.1943","0.2187","","","","","","1.032","","","","has coordinates,has Fobs","265500","2021-05-26","05:38:00",""
"1562967","6.919","0.002","9.653","0.003","19.319","0.006","90","","90","","90","","1290.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","HB4383","Yang, Xing; Long, Sihui","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","IUCrData","2021","6","5","x210539","","10.1107/S2414314621005393","","","0.71073","MoKα","","0.0783","0.0475","","","0.1256","0.1441","","","","","","1.011","","","","has coordinates,has Fobs","265615","2021-05-29","05:36:01",""
"1563166","9.652","0.003","14.867","0.006","17.914","0.006","94.222","0.007","103.853","0.005","100.292","0.004","2437.4","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","","- C33.33333 H40 Br2 N4 O0.66667 -","- C33.3333 H40 Br2 N4 O0.666667 -","- C100 H120 Br6 N12 O2 -","3","1.5","HB4370","Wang, Shengnan; Liu, Gang; Wu, Zhichao","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","IUCrData","2021","6","6","x210396","","10.1107/S2414314621003965","","","0.71073","MoKα","","0.1186","0.0524","","","0.1231","0.1528","","","","","","0.963","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1563167","6.4973","0.0002","11.5323","0.0005","11.2908","0.0005","90","","91.5","0.004","90","","845.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PK4034","Gao, Jun; Long, Sihui","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","IUCrData","2021","6","6","x210555","","10.1107/S2414314621005551","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1249","0.1292","","","","","","1.108","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1563168","17.059","0.001","8.7467","0.0004","18.855","0.001","90","","111.468","0.004","90","","2618.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate","1-Ethoxy-1-oxopropan-2-aminium tetracyanoborate","","- C9 H12 B N5 O2 -","- C9 H12 B N5 O2 -","- C72 H96 B8 N40 O16 -","8","2","HB4385","Peppel, Tim; Köckerling, Martin","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate, (C~5~H~12~NO)[B(CN)~4~]","IUCrData","2021","6","6","x210562","","10.1107/S2414314621005629","","","0.71073","MoKα","","0.0857","0.0531","","","0.1155","0.1328","","","","","","1.003","","","","has coordinates,has Fobs","265829","2021-06-05","05:47:10",""
"1563374","17.4184","0.0015","10.2177","0.0008","18.5136","0.0016","90","","109.164","0.003","90","","3112.4","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H41 B F4 N2 P Rh -","- C34 H41 B F4 N2 P Rh -","- C136 H164 B4 F16 N8 P4 Rh4 -","4","1","WM4147","Rood, Jeffrey A.; Subedi, Chhatra B.; Risell, John P.; Astashkin, Andrei V.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2021","6","6","x210597","","10.1107/S2414314621005976","","","0.71073","MoKα","","0.0164","0.0161","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","266416","2021-06-12","05:10:39",""
"1563506","6.2434","0.0003","21.3584","0.001","6.8938","0.0003","90","","93.118","0.002","90","","917.92","0.07","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N3 O8 -","- C19 H15 N3 O8 -","- C38 H30 N6 O16 -","2","1","BH4062","Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C.","Pyridinium 3-nitrobenzoate‒3-nitrobenzoic acid (1/1)","IUCrData","2021","6","6","x210581","","10.1107/S2414314621005812","","","0.71073","MoKα","","0.0564","0.0439","","","0.0995","0.107","","","","","","1.052","","","","has coordinates,has Fobs","266483","2021-06-16","04:54:48",""
"1563507","6.4514","0.0003","7.0785","0.0004","13.3144","0.0007","78.906","0.002","85.276","0.002","79.628","0.002","586.19","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","HB4386","Yoo, Miri; Koh, Dongsoo","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2021","6","6","x210590","","10.1107/S2414314621005903","","","0.71073","MoKα","","0.0525","0.0444","","","0.1176","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","266484","2021-06-16","04:55:11",""
"1563716","9.7965","0.0002","10.101","0.0002","13.0974","0.0003","81.081","0.002","70.906","0.002","63.321","0.002","1094.3","0.05","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","1","0.5","IM4012","Polito-Lucas, J. Alberto; Núñez-Ávila, José A.; Bernès, Sylvain; Pérez-Benítez, Aarón","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","IUCrData","2021","6","6","x210634","","10.1107/S2414314621006349","","x-ray","0.56083","AgKα","","0.0331","0.0254","","","0.0737","0.0782","","","","","","1.063","","","","has coordinates,has Fobs","266720","2021-06-26","06:08:46",""
"1563818","7.4909","0.0006","10.9201","0.0009","20.472","0.0017","89.07","0.007","80.799","0.006","71.451","0.006","1566.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","","- C12 H17 I2 O3 P -","- C12 H17 I2 O3 P -","- C48 H68 I8 O12 P4 -","4","2","BT4116","Schollmeyer, Dieter; Sadovski, Oleg; Detert, Heiner","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","IUCrData","2021","6","6","x210654","","10.1107/S2414314621006544","","","0.71073","MoKα","","0.1265","0.0754","","","0.1534","0.1857","","","","","","1.085","","","","has coordinates,has Fobs","266844","2021-07-01","05:28:48",""
"1563819","8.0175","0.0002","14.4611","0.0003","18.5612","0.0004","90","","90","","90","","2152.02","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","XU4044","Abou, Akoun; Bamba, Fanté; Marrot, Jérôme; Yaya, Soro; Coustard, Jean-Marie","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","IUCrData","2021","6","6","x210674","","10.1107/S241431462100674X","","","0.71073","MoKα","","0.0534","0.0414","","","0.113","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","266845","2021-07-01","05:29:24",""
"1564104","16.627","0.006","18.03","0.007","21.293","0.008","90","","90","","90","","6383","4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","","- C32 H24 B N10 Ni O4 -","- C32 H25 B N10 Ni O4 -","- C256 H200 B8 N80 Ni8 O32 -","8","1","BV4040","Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","IUCrData","2021","6","7","x210690","","10.1107/S2414314621006908","","x-ray","0.71073","MoKα","","0.0868","0.0479","","","0.1229","0.1464","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","267459","2021-07-10","04:52:59",""
"1564220","9.5823","0.0006","9.5823","0.0006","8.038","0.0011","90","","90","","90","","738.05","0.12","100","","100","","","","","","","","","3","I -4","I -4","82","","Barium bis[tetrafluoridobromate(III)]","","- Ba Br2 F8 -","- Ba Br2 F8 -","- Ba4 Br8 F32 -","4","0.5","WM4148","Ivlev, Sergei I.; Kraus, Florian","Barium bis[tetrafluoridobromate(III)]","IUCrData","2021","6","7","x210735","","10.1107/S2414314621007355","","x-ray","1.54186","CuKα","","0.0538","0.0492","","","0.1239","0.1268","","","","","","1.077","","","","has coordinates,has Fobs","267671","2021-07-21","05:40:01",""
"1564221","9.3911","0.0008","9.3911","0.0008","8.6576","0.0009","90","","90","","120","","661.24","0.11","123","2","123","2","","","","","","","","5","P -3 1 m","-P 3 2","162","","Hexaaquadodeca-μ~2~-chlorido-<i>octahedro</i>-hexaniobium diiodide","","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","1","0.0833333","BT4115","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-chlorido-octahedro-hexaniobium diiodide","IUCrData","2021","6","7","x210696","","10.1107/S2414314621006969","","","0.71073","MoKα","","0.0131","0.013","","","0.0335","0.0335","","","","","","1.376","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1564318","27.7659","0.0008","5.9001","0.0002","23.9758","0.0007","90","","97.4152","0.0014","90","","3894.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenebis(4-<i>tert</i>-butylpyridinium) dichloride hemihydrate","","- C19 H29 Cl2 N2 O0.5 -","- C19 H29 Cl2 N2 O0.5 -","- C152 H232 Cl16 N16 O4 -","8","1","BT4117","Bruekers, J.P.J.; Elemans, J.A.A.W.; Nolte, R.J.M.; Tinnemans, P.","1,1′-Methylenebis(4-tert-butylpyridinium) dichloride hemihydrate","IUCrData","2021","6","8","x210768","","10.1107/S2414314621007689","","","0.71073","MoKα","","0.0657","0.049","","","0.1009","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:53",""
"1564361","9.9571","0.0004","14.4731","0.0006","21.473","0.0009","90","","102.62","0.002","90","","3019.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","","- C28 H35 Br3 N2 Ni O0.5 P -","- C28 H35 Br3 N2 Ni O0.5 P -","- C112 H140 Br12 N8 Ni4 O2 P4 -","4","1","WM4149","Peppel, Tim; Köckerling, Martin","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","IUCrData","2021","6","8","x210818","","10.1107/S241431462100818X","","","0.71073","MoKα","","0.0367","0.0277","","","0.0634","0.0677","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","268077","2021-08-14","02:13:52",""
"1564362","9.4146","0.0013","11.9706","0.0017","13.702","0.002","90","","90","","90","","1544.2","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I)","","- C14 H23 Br0.16 Cl0.84 N3 Rh -","- C14 H23 Br0.154 Cl0.846 N3 Rh -","- C56 H92 Br0.616 Cl3.384 N12 Rh4 -","4","1","WM4151","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2021","6","8","x210811","","10.1107/S2414314621008117","","","0.71073","MoKα","","0.0316","0.0265","","","0.0558","0.0574","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","268078","2021-08-14","02:14:20",""
"1564368","10.7158","0.0017","13.075","0.002","13.2554","0.0019","77.68","0.005","78.11","0.005","67.114","0.006","1655.9","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","","- C36 H38 B F4 Ir N3 P -","- C36 H38 B F4 Ir N3 P -","- C72 H76 B2 F8 Ir2 N6 P2 -","2","1","WM4152","Newman, Elliott B.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","IUCrData","2021","6","8","x210836","","10.1107/S2414314621008361","","","0.71073","MoKα","","0.0301","0.0229","","","0.0488","0.0516","","","","","","1.047","","","","has coordinates,has Fobs","268122","2021-08-18","02:27:15",""
"1564428","9.3839","0.0011","9.9442","0.0011","24.348","0.003","95.154","0.005","92.64","0.005","99.414","0.005","2228.1","0.5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","Na2Mn(THF)7[Fe2(CO)8]","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 <i>Mn</i>—<i>Fe</i>)]","","- C36 H56 Fe2 Mn Na2 O15 -","- C36 H48 Fe2 Mn Na2 O15 -","- C72 H96 Fe4 Mn2 Na4 O30 -","2","1","TK4070","Harakas, George N.; Whittlesey, Bruce R.","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 Mn—Fe)]","IUCrData","2021","6","8","x210845","","10.1107/S2414314621008452","","","0.71073","MoKa","","0.1121","0.0897","","","0.2031","0.2169","","","","","","1.121","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564549","9.1794","0.0018","9.4642","0.0019","11.665","0.002","101.78","0.03","107.81","0.03","93.57","0.03","936","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","","- C19 H23 N3 O S2 -","- C19 H23 N3 O S2 -","- C38 H46 N6 O2 S4 -","2","1","HB4387","Guo, Hui; Du, Wenli; Zhou, Haoyu","(E)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","IUCrData","2021","6","9","x210901","","10.1107/S2414314621009019","","","0.71073","MoKα","","0.0564","0.0388","","","0.0905","0.0968","","","","","","0.921","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564689","8.1297","0.0004","11.8232","0.0006","15.7213","0.0009","90","","90","","90","","1511.12","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HB4390","Schmidt, Ann-Christin; Iovkova, Lyuba; Hiersemann, Martin","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","IUCrData","2021","6","9","x210951","","10.1107/S2414314621009512","","","1.54178","CuKα","","0.0234","0.0233","","","0.0601","0.0601","","","","","","1.066","","","","has coordinates,has Fobs","269206","2021-09-18","02:18:01",""
"1564690","11.3656","0.0009","7.0636","0.0005","26.035","0.002","90","","100.148","0.003","90","","2057.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]\ benzylidene}amino)oxy]acetate","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","HB4391","Sung, Jiha","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]benzylidene}amino)oxy]acetate","IUCrData","2021","6","9","x210950","","10.1107/S2414314621009500","","","0.71073","MoKα","","0.0545","0.0458","","","0.1245","0.133","","","","","","1.056","","","","has coordinates,has Fobs","269207","2021-09-18","02:18:28",""
"1564724","7.6009","0.0003","7.6009","0.0003","7.8187","0.0005","90","","90","","120","","391.2","0.03","296","","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Icosaaluminium pentamanganese nickel","","- Al20 Mn5.37 Ni1.31 -","- Al20 Mn5.37 Ni1.314 -","- Al20 Mn5.37 Ni1.314 -","1","0.0416667","WM4153","Hu, Qifa; Wen, Bin; Fan, Changzeng","Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al–Mn–Ni system","IUCrData","2021","6","9","x210981","","10.1107/S2414314621009810","","","0.71073","MoKα","","0.0176","0.0159","","","0.033","0.0333","","","","","","1.202","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1564791","17.1405","0.0008","8.3052","0.0004","18.5156","0.0008","90","","102.347","0.004","90","","2574.8","0.2","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","","- C15 H16 N O1.5 -","- C15 H16 N O1.5 -","- C120 H128 N8 O12 -","8","1","XU4045","Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","IUCrData","2021","6","9","x210989","","10.1107/S2414314621009895","","","0.71073","MoKα","","0.0568","0.0432","","","0.1123","0.1225","","","","","","1.049","","","","has coordinates,has Fobs","269420","2021-10-01","02:18:57",""
"1564915","8.645","0.0005","9.166","0.0005","9.3403","0.0005","67.433","0.001","72.887","0.001","63.062","0.001","602.75","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","1","0.5","BV4042","Hajjar, Christelle; Ovens, Jeffrey S.; Bryce, David L.","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","IUCrData","2021","6","10","x211044","","10.1107/S2414314621010440","","","0.71073","MoKα","","0.0324","0.025","","","0.0456","0.0475","","","","","","1.023","","","","has coordinates,has Fobs","269943","2021-10-14","02:45:38",""
"1564916","7.0204","0.0006","7.7661","0.0006","10.5392","0.0008","97.733","0.001","109.293","0.001","90.217","0.001","536.69","0.07","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,5-dichlorophthalate","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C20 H16 Cl4 O8 -","2","1","BV4041","Hickstein, Daniel D.; Reinheimer, Eric W.; Johnson, Adam R.; O'Leary, Daniel J.","Dimethyl 4,5-dichlorophthalate","IUCrData","2021","6","10","x211043","","10.1107/S2414314621010439","","","0.71073","MoKα","","0.0274","0.0256","","","0.0716","0.0731","","","","","","1.042","","","","has coordinates,has Fobs","269944","2021-10-14","02:46:09",""
"1564917","14.5188","0.0011","7.7744","0.0007","18.07","0.0016","90","","110.447","0.0018","90","","1911.1","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(3,5-Dichlorophenyl)-N,N-diphenylaniline","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","","- C24 H17 Cl2 N -","- C24 H17 Cl2 N -","- C96 H68 Cl8 N4 -","4","1","HB4393","Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B.","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","IUCrData","2021","6","10","x211016","","10.1107/S2414314621010166","","x-ray","0.71073","MoKα","","0.0694","0.0444","","","0.1053","0.1163","","","","","","1.018","","","","has coordinates,has Fobs","269945","2021-10-14","02:46:49",""
"1565023","7.9335","0.0003","7.6255","0.0003","18.3875","0.0007","90","","99.0734","0.0014","90","","1098.47","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","","- C7 H11 N O6 S2 -","- C7 H11 N O6 S2 -","- C28 H44 N4 O24 S8 -","4","1","HB4392","Taeufer, Tobias; Spannenberg, Anke; Pospech, Jola","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","IUCrData","2021","6","10","x211026","","10.1107/S2414314621010269","","","0.71073","MoKα","","0.0484","0.0354","","","0.0898","0.098","","","","","","1.054","","","","has coordinates,has Fobs","270050","2021-10-20","02:42:35",""
"1565642","8.6799","0.0008","11.4092","0.001","14.721","0.0013","90.308","0.007","103.619","0.007","93.801","0.007","1413.4","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ^5^<i>O</i>,<i>S</i>,<i>N</i>^1^,<i>S</i>',<i>O</i>':κ^5^<i>O</i>'',<i>S</i>'',<i>N</i>^4^,<i>S</i>''',<i>O</i>''')bis[aquanickel(II)] heptahydrate","","- C16 H34 N2 Ni2 O17 S4 -","- C16 H34 N2 Ni2 O17 S4 -","- C32 H68 N4 Ni4 O34 S8 -","2","1","","Pacifico, Jessica; Stoeckli-Evans, Helen","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate","IUCrData","2021","6","12","x211295","","10.1107/S2414314621012955","","","0.71073","MoKα","","0.0569","0.0393","","","0.0891","0.0964","","","","","","1.022","","","","has coordinates,has Fobs","271318","2021-12-10","03:16:32",""
"1565824","3.7924","0.0003","19.8932","0.0018","6.3155","0.0005","90","","91.084","0.006","90","","476.37","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Thiazole-4-carbonitrile","","- C4 H2 N2 S -","- C4 H2 N2 S -","- C16 H8 N8 S4 -","4","1","HB4395","Fait, Martin J. G.; Spannenberg, Anke; Kondratenko, Evgenii V.; Linke, David","1,3-Thiazole-4-carbonitrile","IUCrData","2021","6","12","x211332","","10.1107/S2414314621013328","","","1.54178","CuKα","","0.0406","0.0379","","","0.0948","0.097","","","","","","1.092","","","","has coordinates,has Fobs","271583","2021-12-22","03:27:13",""
"1565825","6.732","0.0005","7.7574","0.0005","10.6128","0.0008","82.458","0.006","72.596","0.005","65.476","0.005","481.13","0.06","296","2","296.15","","","","","","","","","3","P 1","P 1","1","","Methyl α-<i>l</i>-sorboside monohydrate","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","2","BV4043","Matsumoto, Mao; Nagayama, Natsumi; Hirose, Ryo; Takeshita, Kei; Ishii, Tomohiko","Methyl α-<small>L</small>-sorboside monohydrate","IUCrData","2021","6","12","x211325","","10.1107/S2414314621013250","","","1.54187","CuKα","","0.0488","0.0478","","","0.1237","0.1249","","","","","","1.128","","","","has coordinates,has Fobs","271584","2021-12-22","03:27:41",""
"1565893","12.4069","0.0017","14.0221","0.0019","16.934","0.002","91.459","0.003","91.205","0.003","90.613","0.003","2944.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(η^6^-<i>p</i>-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","","- C31 H35 Cl2 O3 P Ru -","- C31 H35 Cl2 O3 P Ru -","- C124 H140 Cl8 O12 P4 Ru4 -","4","2","TK4072","Davis, Wade L.; Muller, Alfred","Dichlorido(η6-p-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","IUCrData","2021","6","12","x211259","","10.1107/S2414314621012591","","","0.71073","MoKα","","0.0795","0.0697","","","","0.1809","","","","","","1.092","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:54",""
"1566650","6.245","0.0006","6.242","0.0006","5.77577","0.00009","90","","90","","90","","225.15","0.03","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","1.25","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273844","2022-03-20","08:04:13",""
"1566660","6.2446","0.00006","6.2446","0.00006","5.76203","0.0001","90","","90","","90","","224.691","0.005","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","ice VI","","","- D2 O -","- D2 O -","- D20 O10 -","10","0.625","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273856","2022-03-21","04:53:10",""
"1569546","14.2995","0.0003","14.2995","0.0003","24.3801","0.001","90","","90","","120","","4317.3","0.2","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIP-213(Al)","Aluminum cloride (5, 5'-Methylenediisophthalate)","","- C144 Al18 Cl6 O93 -","- C144 Al18 Cl6 O93.9999 -","- C144 Al18 Cl6 O93.9999 -","1","0.0416667","","Nandi, Shyamapada; Mansouri, Asma; Dovgaliuk, Iurii; Boullay, Philippe; Patriarche, Gilles; Cornu, Ieuan; Florian, Pierre; Mouchaham, Georges; Serre, Christian","A robust ultra-microporous cationic aluminum-based metal-organic framework with a flexible tetra-carboxylate linker","Communications Chemistry","2023","6","1","1","8","10.1038/s42004-023-00938-x","powder diffraction","","","CuKalpha1","","","","","","","","","13.1259","5.7837","","","","","","","has coordinates","285246","2023-07-17","15:18:42",""
"1572288","10.3107","0.0002","11.4913","0.0002","15.7802","0.0003","84.206","0.001","88.346","0.002","81.786","0.002","1840.86","0.06","301","","301","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 B F5 Mn2 N6 O4 -","- C34 H42 B F5 Mn2 N6 O4 -","- C68 H84 B2 F10 Mn4 N12 O8 -","2","1","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71073","MoKα","","0.0355","0.0327","","","0.0892","0.0917","","","","","","1.053","","","","has coordinates,has disorder","293960","2024-08-06","01:17:43",""
"1572289","24.719","0.005","20.878","0.005","18.209","0.004","90","","97.229","0.004","90","","9323","4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C152 H210 F36 Mn8 N24 O42 P6 -","- C152 H210 F36 Mn8 N24 O42 P6 -","- C304 H420 F72 Mn16 N48 O84 P12 -","2","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.0805","0.0581","","","0.1459","0.1644","","","","","","1.074","","","","has coordinates,has disorder","293961","2024-08-06","01:18:03",""
"1572290","9.257","0.002","18.174","0.004","19.196","0.004","99.904","0.003","101.628","0.004","96.449","0.004","3079.7","1.1","113","","113","","","","","","","","","6","P -1","-P 1","2","","Mn4_tpon2","","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","1","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.074","0.0582","","","0.1493","0.1673","","","","","","1.044","","","","has coordinates,has disorder","293962","2024-08-06","01:18:17",""
"1572803","40.203","0.002","7.4012","0.0004","13.2318","0.0006","90","","96.998","0.004","90","","3907.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H23 Cl N12 O12 -","- C36.5 H23 Cl N12 O12 -","- C146 H92 Cl4 N48 O48 -","4","0.5","","Dobre, Adela F.; Mădălan, Augustin M.; Hanganu, Anamaria; Ionita, Petre","Diazenium Betaines Derived from the Stable Free Radical DPPH with Diradicaloid Behavior","Chemistry","2024","6","5","899","910","10.3390/chemistry6050052","","","0.71073","MoKα","","0.0718","0.0589","","","0.185","0.2005","","","","","","1.044","","","","has coordinates","295353","2024-10-06","12:46:41",""
"1572804","16.4613","0.0004","14.2488","0.0003","20.9984","0.0005","90","","105.736","0.0013","90","","4740.66","0.19","305","2","305","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H34 N4 O12 Zn2 -","- C49 H34 N4 O12 Zn2 -","- C196 H136 N16 O48 Zn8 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0635","0.0602","","","0.1417","0.1429","","","","","","1.01","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572805","10.8657","0.0004","16.0134","0.0005","19.2892","0.0007","90","","90","","90","","3356.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cu N4 O11 -","- C36 H32 Cu N4 O11 -","- C144 H128 Cu4 N16 O44 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0526","0.0377","","","0.0841","0.0904","","","","","","1.017","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572806","29.3869","0.0004","10.0253","0.0001","21.6458","0.0003","90","","93.1008","0.0007","90","","6367.79","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C288 H224 Cd8 N32 O72 -","8","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.037","0.0292","","","0.0705","0.0746","","","","","","1.06","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572807","11.5475","0.0013","21.944","0.002","20.8","0.002","90","","92.035","0.002","90","","5267.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Co4 N2 O21 -","- C47 H45 Co4 N2 O21 -","- C188 H180 Co16 N8 O84 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.15","0.0766","","","0.1945","0.2315","","","","","","1.051","","","","has coordinates,has disorder","295354","2024-10-06","12:47:45",""
"1572808","18.5332","0.0003","15.1797","0.0003","15.6862","0.0003","90","","107.029","0.001","90","","4219.5","0.14","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N4 O12 Zn2 -","- C44 H42 N4 O12 Zn2 -","- C176 H168 N16 O48 Zn8 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.1029","0.0475","","","0.1033","0.124","","","","","","1.012","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572809","19.7055","0.0007","15.5586","0.0006","8.7536","0.0003","90","","111.408","0.002","90","","2498.6","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cd N4 O7 -","- C24 H32 Cd N4 O7 -","- C96 H128 Cd4 N16 O28 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0728","0.0401","","","0.067","0.0758","","","","","","1.018","","","","has coordinates","295354","2024-10-06","12:47:46",""
"1573420","6.6582","0.0003","8.2694","0.0004","32.8995","0.0009","94.801","0.003","90.106","0.003","99.151","0.004","1781.88","0.13","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.1209","0.0584","","","0.1049","0.1266","","","","","","0.962","","","","has coordinates,has disorder","296735","2024-12-07","02:53:05",""
"1573421","6.6663","0.0003","8.202","0.0004","32.6647","0.0013","93.919","0.004","92.093","0.003","100.116","0.004","1751.99","0.14","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","1","0.5","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1378","0.1506","","","","","","1.056","","","","has coordinates,has disorder","296736","2024-12-07","02:53:25",""
"1573422","6.6158","0.0002","8.0542","0.0003","32.5826","0.0007","93.731","0.003","92.451","0.002","99.953","0.003","1703.83","0.09","446.15","","446.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl O4 S12 -","- C28 H32 Cl O4 S12 -","- C56 H64 Cl2 O8 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0537","0.0419","","","0.0992","0.1054","","","","","","1.033","","","","has coordinates,has disorder","296737","2024-12-07","02:53:37",""
"1573423","6.6189","0.0002","8.1402","0.0002","32.8895","0.0008","94.785","0.002","90.361","0.002","99.344","0.002","1742.1","0.08","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.062","0.0409","","","0.0792","0.086","","","","","","1.031","","","","has coordinates,has disorder","296738","2024-12-07","02:53:57",""
"1573424","6.6442","0.0002","8.2163","0.0001","32.9681","0.0006","95.051","0.002","90.064","0.002","98.937","0.002","1770.8","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S12 -","- C28 H32 As F6 S12 -","- C56 H64 As2 F12 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0719","0.0741","","","","","","1.028","","","","has coordinates,has disorder","296739","2024-12-07","02:54:18",""
"1573425","16.9059","0.0006","10.6492","0.0004","18.4816","0.0009","90","","90","","90","","3327.3","0.2","170","0.1","170.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H9 Eu N3 O12 -","- C21 H9 Eu N3 O12 -","- C84 H36 Eu4 N12 O48 -","4","0.5","","Shi, Bojun; Jia, Hao; Chen, Lingfang; Zhang, Shuchun; Zhang, Yu; Yin, Baipeng; Bai, Shuming; Zhang, Chuang","Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions","Chemistry","2024","6","6","1415","1426","10.3390/chemistry6060084","","","0.71073","MoKα","","0.0352","0.0309","","","0.074","0.0759","","","","","","1.095","","","","has coordinates","296740","2024-12-07","02:54:32",""
"2300521","6.176","","6.176","","6.176","","90","","90","","90","","235.571","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cu2 Mn Sn -","- Cu2 Mn Sn -","- Cu8 Mn4 Sn4 -","4","0.0208333","","Meyers, M.A.; Ruud, C.O.; Barrett, C.S.","Observations on the ferromagnetic beta-phase of the Cu - Mn - Sn system","Journal of Applied Crystallography","1973","6","","39","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2300580","4.46","","3","","4.46","","90","","95.5","","90","","59.4","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","V2 D","","- D V2 -","- D V2 -","- D2 V4 -","2","0.5","","Westlake, D.G.; Mueller, M.H.; Knott, H.W.","Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system","Journal of Applied Crystallography","1973","6","","206","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300581","3.14","","3.14","","3.14","","90","","90","","90","","30.959","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","V2 D0.96","","- D0.96 V2 -","- D0.96 V2 -","- D0.96 V2 -","1","0.0104167","","Westlake, D.G.; Mueller, M.H.; Knott, H.W.","Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system","Journal of Applied Crystallography","1973","6","","206","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","172003","2020-10-21","18:00:00",""
"2310021","3.882","","3.882","","3.882","","90","","90","","90","","58.501","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Lanthanum silver titanate (0.67/0.33/1)","","- Ag0.327 La0.673 O3 Ti -","- Ag0.327 La0.673 O3 Ti -","- Ag0.327 La0.673 O3 Ti -","1","0.0208333","","Fankuchen, I.; Banks, E.; Brous, J.","Rare earth titanates with a perovskite structure","Acta Crystallographica (1,1948-23,1967)","1953","6","","67","70","10.1107/S0365110X53000156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310107","7.256","","7.256","","4.113","","90","","90","","90","","216.548","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Th B4","","- B4 Th -","- B4 Th -","- B16 Th4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The crystal structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","10.1107/S0365110X53000764","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310225","10.58","","10.58","","17.746","","90","","90","","90","","1986.42","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Na Pb -","- Na Pb -","- Na32 Pb32 -","32","1","","Marsh, R.E.; Shoemaker, D.P.","The crystal structure of Na Pb","Acta Crystallographica (1,1948-23,1967)","1953","6","","197","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310278","7.63","","7.63","","2.89","","90","","90","","90","","168.247","","","","","","","","","","","","","3","P b m m","-P 2 2b","51","","Ni1.4 Al4.67 O8.7","","- Al4.666 Ni1.4 O6 -","- Al4.666 Ni1.4 O6 -","- Al4.666 Ni1.4 O6 -","1","0.125","","Cowley, J.M.","Structure analysis of single crystals by electron diffraction. III. Modification of alumina","Acta Crystallographica (1,1948-23,1967)","1953","6","","846","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310719","11.53","","9.18","","4.67","","89.22","","95.2","","95.13","","490.284","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Cs2 S6 -","- Cs2 S6 -","- Cs4 S12 -","2","1","","Abrahams, S.C.; Grison, E.","The Crystal Structure of Cesium Hexasulfide","Acta Crystallographica (1,1948-23,1967)","1953","6","","206","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310728","6.05","","9.39","","7.65","","90","","90","","90","","434.593","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Pb Zn (V O4) (O H)","","- H O5 Pb V Zn -","- O5 Pb V Zn -","- O20 Pb4 V4 Zn4 -","4","0.5","","Bachmann, H.G.","Die Kristallstruktur des Descloizit","Acta Crystallographica (1,1948-23,1967)","1953","6","","102","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310755","3.905","","3.905","","3.905","","90","","90","","90","","59.547","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Eu (Ti O3)","","- Eu O3 Ti -","- Eu O3 Ti -","- Eu O3 Ti -","1","0.0208333","","Brous, J.; Fankuchen, I.; Banks, E.","Rare earth titanates with a perovskite structure","Acta Crystallographica (1,1948-23,1967)","1953","6","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310827","12.86","","14.83","","22.34","","94.4","","116.87","","115.6","","3225.59","","","","","","","","","","","","","3","P -1","-P 1","2","","K6 P2 W18 O62 (H2 O)14","","- O62 P2 W18 -","- O62 P2 W18 -","- O124 P4 W36 -","2","1","","Dawson, B.","The Structure of the 9(18)- Heteropoly Anion in Potassium 9(18)- Tungstophosphate, K6 (P2 W18 O62) (H2 O)14","Acta Crystallographica (1,1948-23,1967)","1953","6","","113","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","163158","2020-10-21","18:00:00",""
"2310831","6.68","","3.96","","6.55","","90","","127.9","","90","","136.721","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- N2 O2 -","- N2 O2 -","- N4 O4 -","2","0.5","","Dulmage, W.J.; Meyers, E.A.; Lipscomb, W.N.","On the Crystal and Molecular Structure of N2 O2","Acta Crystallographica (1,1948-23,1967)","1953","6","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310841","8.75","","10.173","","9.59","","90","","90","","90","","853.642","","","","","","","","","","","","","5","P c m b","-P 2bc 2c","57","","Mn2 Fe (P O4)2 (H2 O)3","","- Fe H6 Mn2 O11 P2 -","- Fe0.999 Mn2.001 O11 P2 -","- Fe3.996 Mn8.004 O44 P8 -","4","0.5","","Eversheim, P.; Kleber, W.","Morphologie und Struktur des Reddingits, P2 O5 (Fe O)3 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1953","6","","215","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310848","6.84","","6.84","","14.5","","90","","90","","120","","587.504","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Co2 (O H)3 Cl","","- Cl Co2 H3 O3 -","- Cl Co2 O3 -","- Cl6 Co12 O18 -","6","0.166667","","de Wolff, P.M.","The Crystal Structure of Co2 (O H)3 Cl","Acta Crystallographica (1,1948-23,1967)","1953","6","","359","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310864","5.773","","5.773","","6.031","","90","","90","","120","","174.07","","","","","","","","","","","","","5","P 63","P 6c","173","","Na H P O3 N H2","","- H3 N Na O3 P -","- N Na O3 P -","- N2 Na2 O6 P2 -","2","0.333333","","Hobbs, E.; Corbridge, D.E.C.; Raistrick, B.","The Crystal Structure of Monosodium Phosphoramidate, Na H P O3 N H2","Acta Crystallographica (1,1948-23,1967)","1953","6","","621","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310867","4.84","","7.6","","9.62","","90","","90.15","","90","","353.861","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ca B (Si O4) (O H)","","- B Ca H O5 Si -","- B Ca O5 Si -","- B4 Ca4 O20 Si4 -","4","1","","Ito, T.; Mori, H.","The crystal structure of datolite","Acta Crystallographica (1,1948-23,1967)","1953","6","","24","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310915","9.5","","14.66","","3.38","","90","","90","","90","","470.733","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H N O3 (H2 O)3","","- H7 N O6 -","- N O6 -","- N4 O24 -","4","1","","Luzzati, V.","Structure cristalline de H N O3 (H2 O)3. I. Resolution de la structure, utilisation de la fonction de Patterson","Acta Crystallographica (1,1948-23,1967)","1953","6","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310965","9","","9","","11.58","","90","","90","","90","","937.98","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","Sr (O H)2 (H2 O)8","","- H18 O10 Sr -","- O10 Sr -","- O40 Sr4 -","4","0.25","","Smith, H.G.","The crystal structure of strontium hydroxide octahydrate, Sr (O H)2 (H2 O)8","Acta Crystallographica (1,1948-23,1967)","1953","6","","604","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310970","8.5621","","8.5621","","11.5288","","90","","90","","90","","845.171","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Na K5 Cl2 (S2 O6)2","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl4 K10 Na2 O24 S8 -","2","0.125","","Stanley, E.","The crystal structures of two potassium sodium chloride dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310971","12.118","","12.118","","5.522","","90","","90","","90","","810.883","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","Na K2 Cl S2 O6","","- Cl K2 Na O6 S2 -","- Cl K2 Na O6 S2 -","- Cl4 K8 Na4 O24 S8 -","4","0.5","","Stanley, E.","The Crystal Structures of Two Potassium Sodium Chloride Dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311017","9.56","","2.88","","13.85","","90","","92.5","","90","","380.966","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Ba0.66 Mn5 O10 (H2 O)1.34","","- Ba0.66 H2.68 Mn5 O11.34 -","- Ba0.66 Mn5 O11.34 -","- Ba1.32 Mn10 O22.68 -","2","0.25","","Wadsley, A.D.","The crystal structure of psilomelane, (Ba, H2 O)2 Mn5 O10","Acta Crystallographica (1,1948-23,1967)","1953","6","","433","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","206168","2020-10-21","18:00:00",""
"2311019","3.055","","3.055","","3.055","","59.383","","59.383","","59.383","","19.878","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","","","- Fe0.974 O -","- Fe0.974 O -","- Fe0.974 O -","1","0.0833333","","Willis, B.T.M.; Rooksby, H.P.","Change of structure of ferrous oxide at low temperature","Acta Crystallographica (1,1948-23,1967)","1953","6","","827","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311020","3.021","","3.021","","3.021","","59.992","","59.992","","59.992","","19.492","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","","","- Fe0.942 O -","- Fe0.942 O -","- Fe0.942 O -","1","0.0833333","","Willis, B.T.M.; Rooksby, H.P.","Change of structure of ferrous oxide at low temperature","Acta Crystallographica (1,1948-23,1967)","1953","6","","827","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311027","9.11","","9.11","","9.11","","90","","90","","90","","756.058","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Th4 H15","","- H15 Th4 -","- H15 Th4 -","- H60 Th16 -","4","0.0833333","","Zachariasen, W.H.","Crystal Chemical Studies of the 5F-Series of Elements. XIX. The Crystal Structure of the Higher Thorium Hydride, Th4 H15","Acta Crystallographica (1,1948-23,1967)","1953","6","","393","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","169099","2020-10-21","18:00:00",""
"2311032","8.66","","4.52","","4.75","","90","","117.9","","90","","164.319","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Os O4","","- O4 Os -","- O4 Os -","- O8 Os2 -","2","0.5","","Zalkin, A.; Templeton, D.H.","The Crystal Structure of Osmium Tetroxide","Acta Crystallographica (1,1948-23,1967)","1953","6","","106","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311033","7.075","","7.075","","3.979","","90","","90","","90","","199.171","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","U B4","","- B4 U -","- B4 U -","- B16 U4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The Crystal Structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311034","7.205","","7.205","","4.09","","90","","90","","90","","212.32","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Ce B4","","- B4 Ce -","- B4 Ce -","- B16 Ce4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The crystal structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311064","16.59999","","4","","18.7","","90","","74","","90","","1193.58","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5.5 W5.5) O32","","- Mo5.5 O32 W5.5 -","- Mo5.5 O32 W5.5 -","- Mo11 O64 W11 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Recurrent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311067","17","","4","","17.5","","90","","111","","90","","1110.96","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5 W5) O29","","- Mo5 O29 W5 -","- Mo5 O29 W5 -","- Mo10 O58 W10 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with recurrent dislocations of atoms: 'homologous series' of molybdenum and tungsten oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311079","12.05","","3.767","","23.59","","90","","85.28","","90","","1067.17","","","","","","","","","","","","","1","P 1 2/m 1","-P 2y","10","","W10 O29","","- W10 -","- W10 -","- W20 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Reccurent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"4001737","9.227","","9.227","","17.135","","90","","90","","120","","1263.39","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Sc (B O3)3","","- B3 Ba3 O9 Sc -","- B3 Ba3 O9 Sc -","- B18 Ba18 O54 Sc6 -","6","0.5","","Cox, J.R.; Huang, J.-F.; Keszler, D.A.","The layered borates Ba3 M (B O3)3 (M=Dy,Ho,Y,Er,Tm,Yb,Lu and Sc)","Chemistry of Materials (1,1989-)","1994","6","","2008","2013","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001739","12.135","","12.135","","9.184","","90","","90","","120","","1171.23","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr3 Sc (B O3)3","","- B3 O9 Sc Sr3 -","- B3 O9 Sc Sr3 -","- B18 O54 Sc6 Sr18 -","6","0.333333","","Thompson, P.D.; Keszler, D.A.","Structure of Sr3 Sc (B O3)3","Chemistry of Materials (1,1989-)","1994","6","","2005","2007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029734","19.6672","0.0013","16.8432","0.0012","10.2146","0.0006","90","","101.481","0.004","90","","3316","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Cl5 P Ru2 -","- C28 H47 Cl5 P Ru2 -","- C112 H188 Cl20 P4 Ru8 -","4","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium-arene complexes.","Beilstein journal of organic chemistry","2010","6","","1167","1173","10.3762/bjoc.6.133","","x-ray","0.7107","MoKα","","0.0536","0.0327","","","0.056","0.0621","","","","","","1.049","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029741","11.0884","0.001","7.3529","0.0009","10.3794","0.0014","90","","105.071","0.01","90","","817.14","0.17","100.15","","100","","","","","","","","Synthesized by Author","6","P 1 21/c 1","-P 2ybc","14","","Sodium Morpholinomethanesulfonate","","- C5 H10 N Na O4 S -","- C5 H10 N Na O4 S -","- C20 H40 N4 Na4 O16 S4 -","4","1","","Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A.","Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series.","Beilstein journal of organic chemistry","2010","6","","31","","10.3762/bjoc.6.31","","","1.5418","CuKα","","0.0318","0.0266","","0.0344","0.0303","0.0303","","","","","","1.0282","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029746","5.7353","0.0005","8.6076","0.0007","10.9633","0.0009","75.05","0.001","74.959","0.001","79.491","0.001","501.11","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","HEPMS","N-(2-Hydroxyethyl)piperazine-N'-methanesulfonic acid","","- C7 H16 N2 O4 S -","- C7 H16 N2 O4 S -","- C14 H32 N4 O8 S2 -","2","1","","Long, Robert D.; Hilliard, Newton P.; Chhatre, Suneel A.; Timofeeva, Tatiana V.; Yakovenko, Andrey A.; Dei, Daniel K.; Mensah, Enoch A.","Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series.","Beilstein journal of organic chemistry","2010","6","","31","","10.3762/bjoc.6.31","","","0.71073","MoKα","","0.038","0.0325","","","0.078","0.0815","","","","","","1.002","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029751","7.5928","0.0008","20.9792","0.0011","15.9792","0.0013","90","","94.236","0.008","90","","2538.4","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H3 Br2 Cl O2 S2 -","- C10.5 H3 Br2 Cl O2 S2 -","- C84 H24 Br16 Cl8 O16 S16 -","8","2","","Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd","Syntheses and properties of thienyl-substituted dithienophenazines.","Beilstein journal of organic chemistry","2010","6","","1180","1187","10.3762/bjoc.6.135","","","0.71073","MoKα","","0.1545","0.0672","","","0.1211","0.1478","","","","","","0.895","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029752","8.9233","0.0004","14.8008","0.0008","6.6258","0.0002","90","","102.935","0.003","90","","852.88","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 O2 S2 -","- C10 H4 O2 S2 -","- C40 H16 O8 S8 -","4","1","","Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd","Syntheses and properties of thienyl-substituted dithienophenazines.","Beilstein journal of organic chemistry","2010","6","","1180","1187","10.3762/bjoc.6.135","","","0.71073","MoKα","","0.0376","0.0272","","","0.0699","0.0736","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029757","9.1096","0.0003","13.0878","0.0005","14.0139","0.0006","93.832","0.002","101.26","0.002","104.981","0.002","1570.77","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O6 S4 -","- C30 H32 N2 O6 S4 -","- C60 H64 N4 O12 S8 -","2","1","","Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C.","Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors.","Beilstein journal of organic chemistry","2010","6","","50","","10.3762/bjoc.6.50","","","0.71073","MoKα","","0.0703","0.0466","","","0.1206","0.1317","","","","","","1.082","","","","has coordinates,has disorder","301812","2025-08-19","20:48:34",""
"4029761","10.6274","0.0005","10.8445","0.0007","14.7918","0.0011","86.69","0.003","87.617","0.003","81.397","0.003","1681.81","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N3 O7 S5 -","- C31 H37 N3 O7 S5 -","- C62 H74 N6 O14 S10 -","2","1","","Wang, Hong-Bo; Wisner, James A.; Jennings, Michael C.","Anion receptors containing thiazine-1,1-dioxide heterocycles as hydrogen bond donors.","Beilstein journal of organic chemistry","2010","6","","50","","10.3762/bjoc.6.50","","","0.71073","MoKα","","0.0787","0.048","","","0.1068","0.1203","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029766","10.243","0.004","5.633","0.002","15.676","0.006","90","","94.912","0.005","90","","901.2","0.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H16 F12 O4 -","- C14 H16 F12 O4 -","- C28 H32 F24 O8 -","2","0.5","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0493","0.0349","","","0.0847","0.0927","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029767","5.564","0.002","9.647","0.004","9.926","0.004","100.015","0.006","105.203","0.006","92.977","0.006","503.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 F12 O4 -","- C16 H20 F12 O4 -","- C16 H20 F12 O4 -","1","0.5","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.1011","0.0501","","","0.1057","0.1263","","","","","","0.965","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029768","10.1499","0.0012","10.1499","0.0012","22.75","0.005","90","","90","","90","","2343.7","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H12 F6 N0 O2 -","- C9 H12 F6 O2 -","- C72 H96 F48 O16 -","8","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0303","0.0268","","","0.0665","0.0686","","","","","","1.057","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029769","21.271","0.006","25.685","0.007","10.563","0.003","90","","90","","90","","5771","3","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C10 H6 F12 O S2 -","- C10 H6 F12 O S2 -","- C160 H96 F192 O16 S32 -","16","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0402","0.0308","","","0.0745","0.0825","","","","","","1.044","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029775","6.6454","0.0003","17.9624","0.0009","9.3062","0.0004","90","","98.981","0.004","90","","1097.24","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C48 H62 N2 O8 -","2","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.0845","0.0462","","","0.1039","0.1153","","","","","","0.923","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029778","8.6977","0.0009","12.5877","0.0013","18.8825","0.0019","90","","90","","90","","2067.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.082","0.0724","","","0.2043","0.223","","","","","","1.09","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029781","12.2424","0.0015","17.278","0.002","16.726","0.0019","90","","98.199","0.002","90","","3501.8","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O4 -","- C34 H62 N2 O4 -","- C136 H248 N8 O16 -","4","2","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.1194","0.1042","","","0.2406","0.2529","","","","","","1.219","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029783","8.3106","0.0011","16.12","0.002","16.9678","0.0018","90","","90","","90","","2273.1","0.5","200","","200","","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C25 H33 B F3 N -","- C25 H33 B F3 N -","- C100 H132 B4 F12 N4 -","4","1","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0867","0.0466","","0.1161","0.1007","0.1157","","","","","","0.9218","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029785","8.0309","0.0017","14.995","0.003","9.5461","0.0019","90","","106.162","0.004","90","","1104.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H35 B F3 N -","- C23 H35 B F3 N -","- C46 H70 B2 F6 N2 -","2","0.5","","Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Geib, Steven J.; Curran, Dennis P.","CAAC Boranes. Synthesis and characterization of cyclic (alkyl) (amino) carbene borane complexes from BF₃ and BH₃.","Beilstein journal of organic chemistry","2010","6","","709","712","10.3762/bjoc.6.82","","","0.71073","MoKα","","0.0889","0.0647","","","0.1772","0.188","","","","","","1.363","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029787","29.889","0.003","5.2454","0.0005","31.439","0.003","90","","96.584","0.005","90","","4896.5","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C56 H48 N4 O12 -","- C56 H48 N4 O12 -","- C224 H192 N16 O48 -","4","1","","Castilla, Ana Maria; Morgan Conn, M.; Ballester, Pablo","Synthesis and binding studies of two new macrocyclic receptors for the stereoselective recognition of dipeptides.","Beilstein journal of organic chemistry","2010","6","","5","","10.3762/bjoc.6.5","","","0.71073","MoKα","","0.1867","0.0943","","","0.2314","0.2944","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029789","8.28","0.0003","9.8354","0.0005","10.7554","0.0004","90","","90","","90","","875.89","0.06","123","2","123","2","","","","","","","synthesis as described","5","P 21 a b","P -2b 2a","29","","","","- C6 H7 Cl I N -","- C6 H7 Cl I N -","- C24 H28 Cl4 I4 N4 -","4","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0209","0.0182","","","0.0328","0.0335","","","","","","1.045","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029790","10.065","0.0004","10.9183","0.0003","12.6269","0.0004","100.866","0.002","106.743","0.002","95.177","0.002","1289.45","0.08","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C6 H7 Br I N -","- C6 H7 Br I N -","- C36 H42 Br6 I6 N6 -","6","3","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0688","0.0543","","","0.1295","0.1374","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029791","7.8119","0.0001","9.8242","0.0002","25.8681","0.0005","90","","90","","90","","1985.26","0.06","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 I N O4 P -","- C6 H9 I N O4 P -","- C48 H72 I8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0499","0.0509","","","","","","1.151","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029792","7.8654","0.0002","9.6441","0.0003","25.0515","0.0004","90","","90","","90","","1900.27","0.08","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.045","0.036","","","0.0857","0.0897","","","","","","1.056","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029793","8.1841","0.0001","16.9194","0.0002","20.4094","0.0003","90","","94.603","0.0007","90","","2816.98","0.06","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl I N O -","- C13 H15 Cl I N O -","- C104 H120 Cl8 I8 N8 O8 -","8","2","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0425","0.0332","","","0.0648","0.0679","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029794","8.1913","0.0001","11.4208","0.0002","17.9429","0.0003","80.027","0.001","78.217","0.001","76.302","0.001","1582.66","0.04","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C5.5 H6.5 Cl I N O0.25 -","- C5.5 H6.5 Cl I N O0.25 -","- C44 H52 Cl8 I8 N8 O2 -","8","4","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.0442","0.0326","","","0.0667","0.0722","","","","","","1.022","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029795","8.1247","0.0002","8.4128","0.0002","11.7526","0.0003","87.9511","0.0016","73.0323","0.0019","62.9872","0.0016","680.09","0.03","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H9 I N2 O6 -","- C13 H9 I N2 O6 -","- C26 H18 I2 N4 O12 -","2","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0496","0.0504","","","","","","1.071","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4031640","8.57","","7.69","","11.14","","90","","101.6","","90","","719.168","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pt (N S)4 H2","","- H2 N4 Pt S4 -","- N4 Pt S4 -","- N16 Pt4 S16 -","4","1","","Lindqvist, I.; Weiss, J.","Die Kristallstruktur des Platin-Tetrathionitrosyls","Journal of Inorganic and Nuclear Chemistry","1958","6","","184","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031661","3.994","","3.994","","3.994","","90","","90","","90","","63.712","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Tl C N","","- C Tl -","- C Tl -","- C Tl -","1","0.0208333","","Penneman, R.A.; Staritzky, E.","Infra-red and crystallographic investigation of the Tl C N - K C N - H2 O system; the lack of Tl (I)-cyanide complexes","Journal of Inorganic and Nuclear Chemistry","1958","6","","112","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4037588","14.7408","0.0007","9.3327","0.0005","20.6545","0.001","90","","94.134","0.002","90","","2834.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N8 O19 U2 -","- C16 H22 N8 O19 U2 -","- C64 H88 N32 O76 U8 -","4","0.5","","Decato, Daniel A.; Berryman, Orion B.","Structural and Computational Characterization of a Bridging Zwitterionic-Amidoxime Uranyl Complex.","Organic chemistry frontiers : an international journal of organic chemistry","2019","6","7","1038","1043","10.1039/C9QO00267G","","x-ray","0.71073","MoKα","","0.0243","0.0199","","","0.0409","0.0423","","","","","","1.154","","","","has coordinates","301828","2025-08-20","10:33:20",""
"4331442","7.114","","10.418","","10.754","","90","","95.4","","90","","793.481","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","S4 N4 B F3","","- B F3 N4 S4 -","- B F3 N4 S4 -","- B4 F12 N16 S16 -","4","1","","Drew, M.G.B.; Zalkin, A.; Templeton, D.H.","The crystal and molecular structure of sulfur nitride- boron trifluoride","Inorganic Chemistry","1967","6","","1906","1910","10.1021/ic50056a032","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4343677","3.83","","3.83","","4.12","","90","","90","","120","","52.339","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Dy Si2 -","- Dy Si2 -","- Dy Si2 -","1","0.0416667","","Mayer, I.; Yanir, E.; Shidlovsky, I.","Dimorphism of rare earth disilicides","Inorganic Chemistry","1967","6","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344350","3.75","","3.75","","4.05","","90","","90","","120","","49.323","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Lu Si2 -","- Lu Si2 -","- Lu Si2 -","1","0.0416667","","Mayer, I.; Yanir, E.; Shidlovsky, I.","Dimorphism of rare earth disilicides","Inorganic Chemistry","1967","6","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344491","3.77","","3.77","","4.07","","90","","90","","120","","50.097","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tm Si2","","- Si2 Tm -","- Si2 Tm -","- Si2 Tm -","1","0.0416667","","Mayer, I.; Yanir, E.; Shidlovsky, I.","Dimorphism of rare earth disilicides","Inorganic Chemistry","1967","6","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344492","3.84","","3.84","","4.14","","90","","90","","120","","52.868","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tb Si2","","- Si2 Tb -","- Si2 Tb -","- Si2 Tb -","1","0.0416667","","Mayer, I.; Shidlovsky, I.; Yanir, E.","Dimorphism of rare earth disilicides","Inorganic Chemistry","1967","6","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344493","3.83","","3.83","","4.14","","90","","90","","120","","52.593","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Y Si2","","- Si2 Y -","- Si2 Y -","- Si2 Y -","1","0.0416667","","Mayer, I.; Yanir, E.; Shidlovsky, I.","Dimorphism of rare earth disilicides","Inorganic Chemistry","1967","6","","842","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4349901","12.1561","0.0006","12.2251","0.0004","15.8952","0.0004","90","","94.761","0.003","90","","2354.03","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Eu F12 Li O17 -","- C33 H44 Eu F12 Li O17 -","- C66 H88 Eu2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0497","0.0371","","","0.0864","0.0958","","","","","","1.007","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349902","12.1678","0.0006","12.1989","0.0003","15.8643","0.0005","90","","94.541","0.004","90","","2347.41","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 F12 Li O17 Tb -","- C33 H44 F12 Li O17 Tb -","- C66 H88 F24 Li2 O34 Tb2 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.71073","MoKα","","0.0453","0.0344","","","0.0792","0.0871","","","","","","1.002","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349903","17.0892","0.0003","11.9719","0.0002","22.2112","0.0005","90","","94.1377","0.0019","90","","4532.35","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Dy F12 Li O17 -","- C32 H42 Dy F12 Li O17 -","- C128 H168 Dy4 F48 Li4 O68 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0545","0.0336","","","0.0856","0.0987","","","","","","0.997","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349904","12.3203","0.0004","12.2197","0.0004","15.8773","0.0005","90","","94.512","0.003","90","","2382.93","0.13","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Dy F12 Li O17 -","- C33 H44 Dy F12 Li O17 -","- C66 H88 Dy2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.049","0.0372","","","0.0883","0.1013","","","","","","1.005","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349905","17.0562","0.0004","12.0115","0.0004","22.3205","0.0006","90","","94.358","0.003","90","","4559.6","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Eu F12 Li O17 -","- C32 H42 Eu F12 Li O17 -","- C128 H168 Eu4 F48 Li4 O68 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.061","0.0388","","","0.1107","0.1331","","","","","","1.006","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349906","17.0754","0.0004","11.9683","0.0004","22.2027","0.0007","90","","94.196","0.003","90","","4525.3","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 F12 Li O17 Tb -","- C32 H42 F12 Li O17 Tb -","- C128 H168 F48 Li4 O68 Tb4 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0666","0.0376","","","0.0847","0.1015","","","","","","1","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349915","40.71","0.02","15.001","0.009","14.658","0.009","90","","95.496","0.007","90","","8910","9","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 F6 N3 O4 P3 Ru -","- C45 H40 F6 N3 O4 P3 Ru -","- C360 H320 F48 N24 O32 P24 Ru8 -","8","1","","Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A.","Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes","Inorganic Chemistry Frontiers","2019","6","2","376","","10.1039/C8QI00941D","","x-ray","0.71075","MoKα","","0.0654","0.0495","","","0.1134","0.123","","","","","","1.056","","","","has coordinates","236943","2020-10-21","18:00:00",""
"4349916","13.5183","0.0004","12.8666","0.0003","28.1285","0.0007","90","","100.746","0.003","90","","4806.7","0.2","298","2","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 F6 N3 O4 P3 Ru -","- C47 H44 F6 N3 O4 P3 Ru -","- C188 H176 F24 N12 O16 P12 Ru4 -","4","1","","Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A.","Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes","Inorganic Chemistry Frontiers","2019","6","2","376","","10.1039/C8QI00941D","","x-ray","0.71073","MoKα","","0.0782","0.0548","","","0.1385","0.1617","","","","","","1.099","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349919","15.2776","0.001","7.20969","0.00054","9.65271","0.00062","90","","90","","90","","1063.21","0.13","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.7 H11.3 Cu N5.9 O0.9 -","- C8.85 H11.65 Cu N5.95 O0.9501 -","- C35.4 H46.6 Cu4 N23.8 O3.8004 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349920","14.9282","0.0019","6.91409","0.00097","9.6033","0.0013","90","","90","","90","","991.2","0.2","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.6 N5.8 Ni O0.8 -","- C8.1504 H9.3008 N5.7168 Ni O0.7168 -","- C32.6016 H37.2032 N22.8672 Ni4 O2.8672 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349921","8.95349","0.00017","8.95349","0.00017","7.24405","0.0002","90","","90","","90","","580.72","0.02","298","","298","","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C8.7 H11.3 N5.9 O0.9 Zn -","- C8.7192 H11.3448 N5.9064 O0.9064 Zn -","- C17.4384 H22.6896 N11.8128 O1.8128 Zn2 -","2","0.125","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349922","8.1099","0.0009","4.5429","0.0004","9.394","0.0012","90","","107.583","0.013","90","","329.93","0.07","213","2","213","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C12 H14 N10 -","2","1","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","","","0.71073","MoKα","","0.0516","0.0352","","","0.0887","0.0937","","","","","","0.916","","","","has coordinates,has disorder","236948","2020-10-21","18:00:00",""
"4349923","13.2955","0.0011","17.6522","0.0015","15.7208","0.0013","90","","99.201","0.002","90","","3642.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cu N4 O6 -","- C29 H22 Cu N4 O6 -","- C116 H88 Cu4 N16 O24 -","4","1","","Xie, Bao-Ping; Qiu, Gui-Hua; Sun, Bin; Yang, Zi-Feng; Zhang, Wen-Hua; Chen, Jin-Xiang; Jiang, Zhi-Hong","Synchronous sensing of three conserved sequences of Zika virus using a DNAs@MOF hybrid: experimental and molecular simulation studies","Inorganic Chemistry Frontiers","2019","6","1","148","","10.1039/C8QI01031E","","","0.71073","MoKα","","0.0782","0.0597","","","0.169","0.1764","","","","","","1.136","","","","has coordinates","236951","2020-10-21","18:00:00",""
"4349924","8.4865","0.0006","13.3852","0.001","13.411","0.0011","90.842","0.006","100.808","0.007","97.102","0.006","1483.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Cd3 N4 O23 -","- C14 H32 Cd3 N4 O23 -","- C28 H64 Cd6 N8 O46 -","2","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0517","0.0396","","","0.0953","0.1026","","","","","","1.042","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349925","22.7079","0.001","16.2566","0.001","18.0067","0.0009","90","","102.003","0.002","90","","6501.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cd2 N4 O15 -","- C26 H38 Cd2 N4 O15 -","- C208 H304 Cd16 N32 O120 -","8","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0435","0.041","","","0.1058","0.108","","","","","","1.022","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349926","10.069","0.005","11.558","0.005","22.692","0.005","87.207","0.005","85.685","0.005","77.232","0.005","2566.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Cd5 N12 O44 -","- C64 H92 Cd5 N12 O44 -","- C64 H92 Cd5 N12 O44 -","1","0.5","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71069","MoKα","","0.082","0.0763","","","0.2065","0.2109","","","","","","1.039","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349927","25.474","0.003","23.533","0.003","18.769","0.002","90","","125.827","0.005","90","","9122.7","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C78 H100 Cd5 N16 O38 -","- C78 H100 Cd5 N16 O38 -","- C312 H400 Cd20 N64 O152 -","4","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0486","0.0401","","","0.0869","0.0904","","","","","","1.016","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349928","12.7602","0.0002","14.8229","0.0002","15.1688","0.0002","90","","98.822","0.002","90","","2835.13","0.07","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","L1MnCl","","- C62 H68 Cl2 Mn2 P2 -","- C62 H68 Cl2 Mn2 P2 -","- C124 H136 Cl4 Mn4 P4 -","2","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0531","0.0485","","","0.1459","0.1502","","","","","","1.084","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349929","12.836","0.0002","17.5755","0.0003","21.942","0.0004","90","","106.264","0.002","90","","4752","0.15","179.9","0.3","179.9","0.3","","","","","","","","7","P 1 21 1","P 2yb","4","","K(18-C-6)MnCl2","","- C45 H63 Cl2 K Mn O6.5 P -","- C45 H63 Cl2 K Mn O6.5 P -","- C180 H252 Cl8 K4 Mn4 O26 P4 -","4","2","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0269","0.0249","","","0.0616","0.0625","","","","","","1.021","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4349930","12.9652","0.0005","13.7431","0.0007","19.5176","0.0007","70.396","0.004","88.916","0.003","62","0.005","2852.2","0.3","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","L1MnMe","","- C64 H74 Mn2 P2 -","- C64 H74 Mn2 P2 -","- C128 H148 Mn4 P4 -","2","1","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0569","0.0461","","","0.1234","0.132","","","","","","1.097","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349931","10.0194","0.0003","12.4401","0.0004","13.4146","0.0004","116.797","0.003","96.699","0.003","106.485","0.003","1371.44","0.1","179.99","0.11","179.99","0.11","","","","","","","","5","P -1","-P 1","2","","L1MnNH2","","- C31 H36 Mn N P -","- C31 H36 Mn N P -","- C62 H72 Mn2 N2 P2 -","2","1","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.056","0.0493","","","0.1422","0.148","","","","","","1.061","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349932","12.2781","0.0004","14.9823","0.0004","15.6542","0.0005","90","","98.494","0.003","90","","2848.07","0.15","179.98","0.1","179.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Br2 Mn2 P2 -","- C62 H68 Br2 Mn2 P2 -","- C124 H136 Br4 Mn4 P4 -","2","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0339","0.0257","","","0.0633","0.0667","","","","","","1.057","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349933","13.5013","0.0002","13.5013","0.0002","27.8106","0.001","90","","90","","90","","5069.5","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -4 21 c","P -4 2n","114","","Mn(L1)2","","- C62 H68 Mn P2 -","- C62 H68 Mn P2 -","- C248 H272 Mn4 P8 -","4","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0379","0.0368","","","0.0969","0.0978","","","","","","1.074","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349934","10.029","0.006","13.435","0.007","22.07","0.013","104.66","0.02","96.42","0.03","95.68","0.03","2834","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H71 Cd N7 O23 -","- C44 H31 Cd N6 O21 -","- C88 H62 Cd2 N12 O42 -","2","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.1077","0.0813","","","0.2176","0.2312","","","","","","1.361","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349935","24.42","0.02","9.548","0.008","28.679","0.018","90","","111.44","0.03","90","","6224","8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H60 Cd N7 O18 -","- C46 H37 Cd N6 O15 -","- C184 H148 Cd4 N24 O60 -","4","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.0865","0.0765","","","0.2064","0.2165","","","","","","0.574","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349936","9.774","0.007","13.183","0.01","22.52","0.012","103.44","0.03","95.59","0.02","96.68","0.03","2780","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 Co N6 O21 -","- C41 H27 Co N5 O9 -","- C82 H54 Co2 N10 O18 -","2","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.0911","0.0647","","","0.1712","0.1815","","","","","","1.028","","","","has coordinates,has disorder","236960","2020-10-21","18:00:00",""
"4349937","23.803","0.002","9.7214","0.001","23.932","0.002","90","","103.862","0.004","90","","5376.5","0.8","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Co N6 O14 -","- C43 H31 Co N5 O8 -","- C172 H124 Co4 N20 O32 -","4","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.1192","0.0726","","","0.2201","0.2569","","","","","","0.854","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349938","18.525","0.004","8.827","0.001","21.485","0.004","90","","104.5","0.02","90","","3401.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H46 N14 O19 Th -","- C16 H46 N14 O19 Th -","- C64 H184 N56 O76 Th4 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of water–carbonate exchange equilibrium for MIII/IV–EDTA–carbonate systems","Inorganic Chemistry Frontiers","2019","6","1","153","","10.1039/C8QI01062E","","","0.71073","MoKα","","0.0598","0.0409","","","0.0873","0.1006","","","","","","0.992","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349939","14.749","0.003","10.683","0.002","15.594","0.003","90","","92.3","0.02","90","","2455.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Er N11 O12 -","- C14 H32 Er N11 O12 -","- C56 H128 Er4 N44 O48 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of water–carbonate exchange equilibrium for MIII/IV–EDTA–carbonate systems","Inorganic Chemistry Frontiers","2019","6","1","153","","10.1039/C8QI01062E","","","0.71073","MoKα","","0.0461","0.0381","","","0.1012","0.1039","","","","","","1.062","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349940","9.8379","0.0006","24.3939","0.0009","8.2626","0.0004","90","","110.851","0.006","90","","1853.04","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ag3 I4 N3 -","- C8 H10 Ag3 I4 N3 -","- C32 H40 Ag12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0544","0.0431","","","0.095","0.1024","","","","","","1.089","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349941","9.8549","0.0008","24.3664","0.0014","8.2594","0.0007","90","","110.903","0.009","90","","1852.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ag3 I4 N3 -","- C8 H10 Ag3 I4 N3 -","- C32 H40 Ag12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0912","0.0655","","","0.1615","0.1815","","","","","","1.025","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349942","9.9731","0.0006","23.7603","0.0014","7.79","0.0004","90","","112.217","0.001","90","","1708.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu3 I4 N3 -","- C8 H10 Cu3 I4 N3 -","- C32 H40 Cu12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0392","0.0368","","","0.1016","0.1034","","","","","","1.082","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349944","12.9337","0.0004","7.8094","0.0002","21.1115","0.0006","90","","90.785","0.003","90","","2132.16","0.1","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","x-ray","0.71073","MoKα","","0.0444","0.0388","","","0.0839","0.0864","","","","","","1.149","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349945","13.183","0.002","8.0474","0.0012","21.122","0.004","90","","90.895","0.006","90","","2240.5","0.6","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","","0.71073","MoKα","","0.1414","0.1033","","","0.2733","0.3001","","","","","","1.02","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349946","13.1935","0.0002","8.0066","0.0001","20.9454","0.0003","90","","91.293","0.002","90","","2212.01","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","","1.54184","CuKα","","0.0523","0.0491","","","0.1366","0.1389","","","","","","1.111","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349947","7.6721","0.0002","11.4426","0.0002","15.8174","0.0004","90","","90","","90","","1388.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HL","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON–OFF–ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0432","0.0403","","","0.1086","0.111","","","","","","1.164","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349948","22.941","0.005","7.6098","0.0012","34.505","0.007","90","","105.03","0.02","90","","5818","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H61.5 Cu2 N12 O8 -","- C56 H64 Cu2 N12 O8 -","- C224 H256 Cu8 N48 O32 -","4","0.5","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.2602","0.118","","","0.2945","0.3998","","","","","","0.988","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4349949","22.8871","0.0014","7.6537","0.0005","34.918","0.002","90","","105.51","0.007","90","","5893.9","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1","","- C28 H32 N6 O4 Zn -","- C28 H32 N6 O4 Zn -","- C224 H256 N48 O32 Zn8 -","8","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON–OFF–ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0759","0.0545","","","0.1514","0.1769","","","","","","1.104","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349950","11.5016","0.0003","17.0121","0.0004","14.707","0.0004","90","","90","","90","","2877.67","0.13","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H7 N7 O6 Zn2 -","- C6 H7 N7 O6 Zn2 -","- C48 H56 N56 O48 Zn16 -","8","1","","Li, Yixing; Zhang, Xiao; Xu, Ping; Jiang, Zimin; Sun, Jianmin","The design of a novel and resistant Zn(PZDC)(ATZ) MOF catalyst for the chemical fixation of CO2 under solvent-free conditions","Inorganic Chemistry Frontiers","2019","6","1","317","","10.1039/C8QI01150H","","x-ray","1.54184","CuKα","","0.0421","0.0369","","","0.0977","0.1009","","","","","","1.071","","","","has coordinates","236972","2020-10-21","18:00:00",""
"4349951","17.46","0.009","19.248","0.01","19.582","0.01","78.594","0.009","83.327","0.008","75.17","0.008","6221","6","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-1","","- C86 H100 N3 Nd9 O56 -","- C86 H100 N3 Nd9 O56 -","- C172 H200 N6 Nd18 O112 -","2","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Schipper, Desmond; Jones, Richard A.","NIR luminescence for the detection of metal ions and nitro explosives based on a grape-like nine-nuclear Nd(iii) nanocluster","Inorganic Chemistry Frontiers","2019","6","2","550","","10.1039/C8QI01166D","","","0.71073","MoKα","","0.089","0.0628","","","0.1972","0.2545","","","","","","1.105","","","","has coordinates","236974","2020-10-21","18:00:00",""
"4349952","17.257","0.007","19.135","0.007","19.467","0.007","78.782","0.009","83.275","0.008","75.79","0.008","6096","4","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-2","","- C86 H100 Gd9 N3 O56 -","- C86 H100 Gd9 N3 O56 -","- C172 H200 Gd18 N6 O112 -","2","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Schipper, Desmond; Jones, Richard A.","NIR luminescence for the detection of metal ions and nitro explosives based on a grape-like nine-nuclear Nd(iii) nanocluster","Inorganic Chemistry Frontiers","2019","6","2","550","","10.1039/C8QI01166D","","","0.71073","MoKα","","0.109","0.056","","","0.1586","0.228","","","","","","1.049","","","","has coordinates","236974","2020-10-21","18:00:00",""
"4349953","10.98368","0.00014","14.58477","0.00015","19.3219","0.0003","90","","99.214","0.0011","90","","3055.32","0.07","100.01","0.14","100.01","0.14","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H50 N22 Na2 O30.75 -","- C40 H50 N22 Na2 O30.75 -","- C80 H100 N44 Na4 O61.5 -","2","0.5","","Lin, Jing-Xiang; Chen, Yu-Xi; Zhao, Dan; Chen, Yu; Lu, Xiu-Qiang; Lü, Jian; Cao, Rong","Controlled nitrite anion encapsulation and release in the molecular cavity of decamethylcucurbit[5]uril: solution and solid state studies","Inorganic Chemistry Frontiers","2019","6","1","303","","10.1039/C8QI01168K","","x-ray","1.54184","CuKα","","0.0766","0.073","","","0.2012","0.2049","","","","","","1.04","","","","has coordinates","236977","2020-10-21","18:00:00",""
"4349954","31.578","0.005","14.455","0.002","12.057","0.0017","90","","90","","90","","5503.5","1.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 N26 Na2 O29 -","- C36 H36 N26 Na2 O29 -","- C144 H144 N104 Na8 O116 -","4","1","","Lin, Jing-Xiang; Chen, Yu-Xi; Zhao, Dan; Chen, Yu; Lu, Xiu-Qiang; Lü, Jian; Cao, Rong","Controlled nitrite anion encapsulation and release in the molecular cavity of decamethylcucurbit[5]uril: solution and solid state studies","Inorganic Chemistry Frontiers","2019","6","1","303","","10.1039/C8QI01168K","","","1.54184","CuKα","","0.1169","0.1126","","","0.3141","0.3177","","","","","","1.0458","","","","has coordinates","236977","2020-10-21","18:00:00",""
"4349955","17.6727","0.0005","17.6727","0.0005","75.9637","0.0019","90","","90","","120","","20546.7","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C94 H112 Br2 O19 P6 Re6 Se8 -","- C93.9996 H93.999 Br2 O20 P6 Re6 Se8 -","- C563.998 H563.994 Br12 O120 P36 Re36 Se48 -","6","0.166667","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0433","0.0355","","","0.0984","0.1039","","","","","","1.114","","","","has coordinates,has disorder","236980","2020-10-21","18:00:00",""
"4349956","14.1316","0.0015","14.6796","0.0015","14.8908","0.0015","60.961","0.003","78.277","0.003","63.097","0.003","2407.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Na4 O16 P6 Re6 Se8 -","- C90 H92 Na4 O16 P6 Re6 Se8 -","- C90 H92 Na4 O16 P6 Re6 Se8 -","1","0.5","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0261","0.0205","","","0.0467","0.0486","","","","","","1.055","","","","has coordinates","236980","2020-10-21","18:00:00",""
"4349957","13.9958","0.0003","14.5841","0.0003","14.8362","0.0004","61.351","0.001","78.554","0.001","63.323","0.001","2374.12","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Na4 O16 P6 Re6 S8 -","- C90 H92 Na4 O16 P6 Re6 S8 -","- C90 H92 Na4 O16 P6 Re6 S8 -","1","0.5","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0215","0.0192","","","0.0464","0.0472","","","","","","1.028","","","","has coordinates","236980","2020-10-21","18:00:00",""
"4349958","63.7383","0.0015","63.7383","0.0015","25.3645","0.0007","90","","90","","120","","89240","4","150","2","150","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C297 H162 Cu24 O132 -","- C296 H162 Cu24 O132 -","- C1776 H972 Cu144 O792 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Wang, Xia; Xu, Guohai; Zhang, Zhengyi; He, Yabing","A ligand conformation preorganization approach to construct a copper‒hexacarboxylate framework with a novel topology for selective gas adsorption","Inorganic Chemistry Frontiers","2019","6","1","263","","10.1039/C8QI01225C","","","1.54178","CuKα","","0.137","0.1174","","","0.2795","0.2881","","","","","","1.085","","","","has coordinates,has disorder","236983","2020-10-21","18:00:00",""
"4349959","12.2908","0.0002","15.6215","0.0002","15.909","0.0003","87.576","0.001","72.944","0.002","77.779","0.002","2853.38","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 B4 Co2 Fe4 N48 -","- C108 H112 B4 Co2 Fe4 N48 -","- C108 H112 B4 Co2 Fe4 N48 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0589","0.0515","","","0.1336","0.1382","","","","","","1.078","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349960","11.7366","0.0001","15.9647","0.0002","17.5474","0.0002","82.914","0.001","71.869","0.001","84.363","0.001","3094.51","0.06","298.5","0.2","298.5","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H112 B4 Fe6 N48 -","- C108 H112 B4 Fe6 N48 -","- C108 H112 B4 Fe6 N48 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0377","0.0327","","","0.088","0.0905","","","","","","1.075","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349961","15.0634","0.0002","16.0649","0.0002","17.2995","0.0002","88.219","0.001","85.232","0.001","65.864","0.001","3807.12","0.09","99.97","0.12","99.97","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 B4 Fe4 N48 Ni2 -","- C108 H112 B4 Fe4 N48 Ni2 -","- C108 H112 B4 Fe4 N48 Ni2 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0506","0.0478","","","0.1289","0.1306","","","","","","1.077","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349962","9.1357","0.0004","16.0102","0.0006","11.0362","0.0005","90","","90","","90","","1614.2","0.12","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","[Cu(NNN-Me-pincer)-CN](Et4N).CH2Cl2","","","- C33 H43 Cl2 Cu N5 O2 -","- C33 H43 Cl2 Cu N5 O2 -","- C66 H86 Cl4 Cu2 N10 O4 -","2","0.25","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0452","0.0444","","","0.1131","0.1144","","","","","","1.081","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349963","22.1278","0.0003","12.06401","0.00015","21.5418","0.0003","90","","107.835","0.0014","90","","5474.22","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu(NNN-macrocycle)]-OH-[Cu(NNN-macrocycle)]}(Et4N)","","","- C58 H67 Cu2 N7 O11 -","- C58 H67 Cu2 N7 O11 -","- C232 H268 Cu8 N28 O44 -","4","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0326","0.0301","","","0.082","0.0836","","","","","","1.066","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349964","15.7451","0.0018","10.6651","0.001","20.59","0.0016","90","","90","","90","","3457.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-Et-Pincer)-CN](Et4N)","","","- C36 H49 Cu N5 O2 -","- C36 H49 Cu N5 O2 -","- C144 H196 Cu4 N20 O8 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.1038","0.0847","","","0.2226","0.2378","","","","","","1.062","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349965","9.9439","0.0005","13.5474","0.0007","13.6659","0.0007","116.907","0.005","93.266","0.004","101.939","0.004","1582.07","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu(NNN-Me-pincer)-CH2CN](Et4N)","","","- C33 H43 Cu N5 O2 -","- C33 H43 Cu N5 O2 -","- C66 H86 Cu2 N10 O4 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0338","0.0301","","","0.0793","0.0815","","","","","","1.039","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349966","13.2403","0.0004","14.0874","0.0005","15.1112","0.0005","87.056","0.003","66.165","0.003","73.731","0.003","2468.79","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Cu(NNN-Ph)]-OH-[Cu(NNN-Ph)]}(Et4N).2DMF","","","- C52 H61 Cu2 N9 O7 -","- C52 H61 Cu2 N9 O7 -","- C104 H122 Cu4 N18 O14 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0489","0.0436","","","0.1225","0.1261","","","","","","1.041","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349967","13.63106","0.00016","17.20745","0.00019","14.4003","0.0002","90","","101.107","0.0013","90","","3314.4","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(NNN-iPr-ligand)-OH](Me4N)","","","- C35 H50 Cu N4 O3 -","- C35 H50 Cu N4 O3 -","- C140 H200 Cu4 N16 O12 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0361","0.0322","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349968","10.7968","0.0003","16.0879","0.0003","12.1844","0.0003","90","","112.318","0.003","90","","1957.87","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(NNN-iPr-ligand)(CN)(THF)](Me4N)","","","- C40 H57 Cu N5 O3 -","- C40 H57 Cu N5 O3 -","- C80 H114 Cu2 N10 O6 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0375","0.0366","","","0.1008","0.1017","","","","","","1.043","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349969","16.1634","0.0004","15.8968","0.0003","26.1094","0.0006","90","","90","","90","","6708.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(NNN-Et-pincer)-OH] (Et4N)","","","- C35 H50 Cu N4 O3 -","- C35 H50 Cu N4 O3 -","- C280 H400 Cu8 N32 O24 -","8","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.082","0.0774","","","0.1746","0.1767","","","","","","1.155","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349970","15.6043","0.0003","12.4174","0.0003","16.1889","0.0003","90","","90","","90","","3136.84","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CN(Ph)CC(Ph)-OH...O-C(Ph)C(Ph)CN](Et4N)","","","- C38 H41 N3 O2 -","- C38 H41 N3 O2 -","- C152 H164 N12 O8 -","4","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0473","0.0411","","","0.1098","0.1146","","","","","","1.064","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349971","9.71595","0.00018","11.2474","0.0002","29.0701","0.0005","90","","98.9634","0.0018","90","","3137.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(pincer)-CH=C=NH](Et4N)","","","- C33 H43 Cu N5 O2 -","- C33 H43 Cu N5 O2 -","- C132 H172 Cu4 N20 O8 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0615","0.0532","","","0.1508","0.157","","","","","","1.052","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349972","14.5931","0.0005","12.2058","0.0005","16.6043","0.0005","90","","95.409","0.003","90","","2944.4","0.18","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","[Cu(NNN-Naph)-OH-Cu(NNN-Naph)](Et4N).DMF","","","- C65 H62 Cu2 N8 O6 -","- C65 H62 Cu2 N8 O6 -","- C130 H124 Cu4 N16 O12 -","2","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C–CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0534","0.0527","","","0.1495","0.1517","","","","","","1.069","","","","has coordinates,has disorder","294959","2024-10-01","15:49:44",""
"4349973","15.4791","0.0007","12.9401","0.0007","24.5733","0.0014","90","","97.226","0.005","90","","4883","0.4","120.8","0.2","120.8","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H38 N8 O8 Zn2 -","- C56 H38 N8 O8 Zn2 -","- C224 H152 N32 O32 Zn8 -","4","0.5","","Kang, Xiao-Min; Fan, Xi-Yu; Hao, Peng-Yuan; Wang, Wen-Min; Zhao, Bin","A stable zinc‒organic framework with luminescence detection of acetylacetone in aqueous solution","Inorganic Chemistry Frontiers","2019","6","1","271","","10.1039/C8QI01260A","","x-ray","0.71073","MoKα","","0.1011","0.06","","","0.1129","0.1302","","","","","","1.067","","","","has coordinates","236991","2020-10-21","18:00:00",""
"4349974","9.6005","0.0006","17.2685","0.0015","15.6571","0.001","90","","107.09","0.002","90","","2481.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine","","- C16 H22 Cu3 I3 N2 S2 -","- C16 H22 Cu3 I3 N2 S2 -","- C64 H88 Cu12 I12 N8 S8 -","4","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0433","0.0348","","","0.0899","0.0978","","","","","","1.083","","","","has coordinates,has disorder","236993","2020-10-21","18:00:00",""
"4349975","8.7276","0.0004","14.4775","0.0007","9.7601","0.0005","90","","112.665","0.002","90","","1137.99","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine (2:2)","","- C16 H22 Cu2 I2 N2 S2 -","- C16 H22 Cu2 I2 N2 S2 -","- C32 H44 Cu4 I4 N4 S4 -","2","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0416","0.0354","","","0.0828","0.0865","","","","","","1.038","","","","has coordinates","236993","2020-10-21","18:00:00",""
"4349976","9.919","0.0005","9.0927","0.0006","13.9818","0.0008","90","","95.811","0.002","90","","1254.55","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine (3:2)","","- C16 H22 Cu3 I3 N2 S2 -","- C16 H22 Cu3 I3 N2 S2 -","- C32 H44 Cu6 I6 N4 S4 -","2","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0402","0.0246","","","0.0453","0.0522","","","","","","1.083","","","","has coordinates","236993","2020-10-21","18:00:00",""
"4349977","18.429","0.003","18.429","0.003","15.739","0.003","90","","90","","120","","4629.3","1.4","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C25 H43 Cl Cu2 N8 O10 -","- C9 H3 Cl Cu2 N4 O6 -","- C54 H18 Cl6 Cu12 N24 O36 -","6","0.5","","Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling","Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation","Inorganic Chemistry Frontiers","2019","6","2","556","","10.1039/C8QI01315B","","","0.71073","MoKα","","0.049","0.0383","","","0.1321","0.1358","","","","","","1.115","","","","has coordinates,has disorder","236995","2020-10-21","18:00:00",""
"4349978","12.009","0.002","11.479","0.002","16.743","0.003","90","","93.26","0.03","90","","2304.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu4 N12 O16 -","- C20 H8 Cu4 N8 O12 -","- C40 H16 Cu8 N16 O24 -","2","0.5","","Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling","Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation","Inorganic Chemistry Frontiers","2019","6","2","556","","10.1039/C8QI01315B","","","0.71073","MoKα","","0.0349","0.0292","","","0.0909","0.0921","","","","","","1.17","","","","has coordinates,has disorder","236995","2020-10-21","18:00:00",""
"4349979","6.9739","0.0006","9.0675","0.0007","13.0622","0.0009","99.133","0.006","92.117","0.006","104.301","0.007","787.75","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 Br Cl Dy N4 O4 -","- C13 H12 Br Cl Dy N4 O4 -","- C26 H24 Br2 Cl2 Dy2 N8 O8 -","2","1","","Ji, Xiao-Qin; Ma, Fang; Xiong, Jin; Yang, Jing; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","A rare chloride-bridged dysprosium chain with slow magnetic relaxation: a thermally activated mechanism via a second-excited state promoted by magnetic interactions","Inorganic Chemistry Frontiers","2019","6","3","786","","10.1039/C8QI01331D","","","0.71073","MoKα","","0.0745","0.0527","","","0.0887","0.0978","","","","","","0.971","","","","has coordinates","236997","2020-10-21","18:00:00",""
"4349980","10.457","0.0006","14.5164","0.0009","14.8752","0.0009","68.952","0.001","81.764","0.001","87.595","0.001","2085.5","0.2","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Cd3 N4 O16 -","- C74 H66 Cd3 N4 O16 -","- C74 H66 Cd3 N4 O16 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0788","0.0577","","","0.185","0.205","","","","","","1.085","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349981","29.769","0.002","17.2176","0.0015","15.6463","0.0014","90","","98.13","0.003","90","","7938.9","1.1","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Cd3 N6 O18 -","- C72 H72 Cd3 N6 O18 -","- C288 H288 Cd12 N24 O72 -","4","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0972","0.0642","","","0.1846","0.2039","","","","","","1.073","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349982","9.766","0.002","14.548","0.003","14.702","0.003","70.081","0.003","85.004","0.004","89.249","0.003","1956.1","0.7","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H64 Cd3 N4 O18 -","- C70 H64 Cd3 N4 O18 -","- C70 H64 Cd3 N4 O18 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0636","0.0506","","","0.168","0.1776","","","","","","1.099","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349983","9.6181","0.0011","14.5436","0.0016","14.7499","0.0016","70.015","0.002","85.621","0.002","89.318","0.002","1933.1","0.4","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 Cd3 N6 O18 -","- C78 H84 Cd3 N6 O18 -","- C78 H84 Cd3 N6 O18 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0674","0.0531","","","0.1385","0.1498","","","","","","1.04","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349984","20.6353","0.0003","20.6353","0.0003","36.9677","0.0009","90","","90","","90","","15741.4","0.5","150","2","150","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C180 H64 Cl8 N16 Y2 -","- C180 H64 Cl8 N16 Y2 -","- C720 H256 Cl32 N64 Y8 -","4","0.25","","Wang, Chiming; Wang, Hailong; Liu, Chenxi; Qi, Dongdong; Jiang, Jianzhuang","Molecular assembly-induced charge transfer between a mixed (phthalocyaninato)(porphyrinato) yttrium triple-decker and a fullerene","Inorganic Chemistry Frontiers","2019","6","3","654","","10.1039/C8QI01340C","","","0.71073","MoKα","","0.1184","0.0698","","","0.1902","0.2084","","","","","","1.05","","","","has coordinates,has disorder","237000","2020-10-21","18:00:00",""
"4349985","20.9834","0.001","22.3764","0.0011","36.0227","0.0016","105.294","0.002","99.649","0.002","98.715","0.002","15739.6","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C231 H343 Dy12 N24 O86.75 -","- C231 H343 Dy12 N24 O86.75 -","- C462 H686 Dy24 N48 O173.5 -","2","1","","Rosado Piquer, Lidia; Escoda-Torroella, Mariona; Ledezma Gairaud, Marisol; Carneros, Saul; Daffé, Niéli; Studniarek, Michał; Dreiser, Jan; Wernsdorfer, Wolfgang; Sañudo, E. Carolina","Hysteresis enhancement on a hybrid Dy(iii) single molecule magnet/iron oxide nanoparticle system","Inorganic Chemistry Frontiers","2019","6","3","705","","10.1039/C8QI01346B","","","0.71073","MoKα","","0.0851","0.0586","","","0.1538","0.1785","","","","","","1.081","","","","has coordinates,has disorder","237001","2020-10-21","18:00:00",""
"4349986","27.3814","0.0009","27.3814","0.0009","71.344","0.005","90","","90","","120","","46323","4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Al3 N0 O16 -","- C42 H22 Al3 O16 -","- C756 H396 Al54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1165","0.0938","","","0.2277","0.2444","","","","","","1.131","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349987","27.3458","0.0004","27.3458","0.0004","72.965","0.002","90","","90","","120","","47252.7","1.6","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Ga3 N0 O16 -","- C42 H22 Ga3 O16 -","- C756 H396 Ga54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.0577","0.0488","","","0.1386","0.1415","","","","","","1.069","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349988","28.188","0.0006","28.188","0.0006","74.414","0.002","90","","90","","120","","51205","2","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 In3 O16 -","- C42 H22 In3 O16 -","- C756 H396 In54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1116","0.0759","","","0.2315","0.2736","","","","","","1.134","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349989","59.7742","0.0015","29.104","0.0006","13.6375","0.0005","90","","90","","90","","23724.7","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C216 H160 Cu12 N8 O64 -","- C216 H160 Cu12 N8 O64 -","- C432 H320 Cu24 N16 O128 -","2","0.125","","Wang, Xia; Zhang, Xiurong; Zhang, Kai; Wang, Xiaokang; Wang, Yutong; Fan, Weidong; Dai, Fangna","Amino-functionalized Cu-MOF for efficient purification of methane from light hydrocarbons and excellent catalytic performance","Inorganic Chemistry Frontiers","2019","6","5","1152","","10.1039/C8QI01404C","","","1.54178","CuKα","","0.1219","0.093","","","0.2668","0.2955","","","","","","0.953","","","","has coordinates","237005","2020-10-21","18:00:00",""
"4349990","21.5586","0.0003","21.5586","0.0003","62.2218","0.0015","90","","90","","120","","25044.6","0.8","120","0.1","120","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H17 N9 O8 Zn2 -","- C26 H17 N9 O8 Zn2 -","- C468 H306 N162 O144 Zn36 -","18","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54178","CuKα","","0.1086","0.0961","","","0.3077","0.3234","","","","","","1.102","","","","has coordinates","237007","2020-10-21","18:00:00",""
"4349991","27.5369","0.0009","24.6251","0.0005","20.1958","0.0011","90","","90","","90","","13694.8","0.9","100.01","0.1","100.01","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C28 H21 N9 O8 Zn2 -","- C28 H21 N9 O8 Zn2 -","- C224 H168 N72 O64 Zn16 -","8","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54184","CuKα","","0.0924","0.0723","","","0.265","0.2949","","","","","","1.1","","","","has coordinates","237007","2020-10-21","18:00:00",""
"4349992","17.2759","0.0008","17.2759","0.0008","17.2759","0.0008","90","","90","","90","","5156.1","0.4","113","2","113","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C37 H45 Cl8 Fe3 N12 O4 S3 -","- C36.99 H39 Cl8 Fe3 N12 O4 S3 -","- C147.96 H156 Cl32 Fe12 N48 O16 S12 -","4","0.333333","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0399","0.0331","","","0.0828","0.0869","","","","","","1.026","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349993","11.625","0.002","17.263","0.004","14.828","0.003","90","","104.359","0.004","90","","2882.8","1","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl Fe N10 O2 S2 -","- C18 H16 Cl Fe N10 O2 S2 -","- C72 H64 Cl4 Fe4 N40 O8 S8 -","4","1","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0501","0.0411","","","0.1123","0.1164","","","","","","1.07","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349994","9.2489","0.0007","11.9004","0.001","13.3311","0.001","87.832","0.004","75.554","0.004","80.332","0.004","1400.71","0.19","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl4 Fe2 N8 O2 S2 -","- C20 H18 Cl4 Fe2 N8 O2 S2 -","- C40 H36 Cl8 Fe4 N16 O4 S4 -","2","1","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0307","0.0299","","","0.0817","0.0824","","","","","","1.052","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349995","8.5468","0.0005","10.9507","0.0005","10.9914","0.0004","102.267","0.004","112.333","0.005","99.415","0.005","895.22","0.09","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H42 Cu Mo6 N8 O30 V2 -","- C6 H42 Cu Mo6 N8 O30 V2 -","- C6 H42 Cu Mo6 N8 O30 V2 -","1","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.0766","0.0445","","","0.0615","0.071","","","","","","0.934","","","","has coordinates,has disorder","237926","2020-10-21","18:00:00",""
"4349996","11.2569","0.0003","9.1947","0.0002","21.9132","0.0005","90","","99.328","0.002","90","","2238.11","0.09","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H54 Cu2 Mo6 N8 O36 V2 -","- C8 H54 Cu2 Mo6 N8 O36 V2 -","- C16 H108 Cu4 Mo12 N16 O72 V4 -","2","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6– POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.0573","0.0419","","","0.0942","0.1048","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349997","11.8618","0.0008","23.2484","0.0012","15.7977","0.0008","90","","90","","90","","4356.5","0.4","298","","298","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C32 H192 Cu8 Mo24 N32 O132 V8 -","4","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.1731","0.0626","","","0.0937","0.1247","","","","","","0.954","","","","has coordinates,has disorder","237926","2020-10-21","18:00:00",""
"4349998","4.821","0.005","17.325","0.005","27.459","0.005","90","0.005","91.618","0.005","90","0.005","2293","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 N2 O11 Zn -","- C21 H11 N2 O11 Zn -","- C84 H44 N8 O44 Zn4 -","4","1","","Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.","Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol","Inorganic Chemistry Frontiers","2019","6","4","1058","","10.1039/C9QI00044E","","","0.71073","MoKα","","0.0538","0.0399","","","0.11","0.1178","","","","","","1.045","","","","has coordinates","237928","2020-10-21","18:00:00",""
"4349999","10.082","0.005","13.637","0.005","20.12","0.005","90","0.005","97.575","0.005","90","0.005","2742.1","1.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H15 N3 O9 Zn -","- C27 H15 N3 O9 Zn -","- C108 H60 N12 O36 Zn4 -","4","1","","Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.","Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol","Inorganic Chemistry Frontiers","2019","6","4","1058","","10.1039/C9QI00044E","","","0.71073","MoKα","","0.0923","0.0717","","","0.2297","0.2462","","","","","","1.079","","","","has coordinates","237928","2020-10-21","18:00:00",""
"4350000","20.294","0.0006","28.6311","0.0009","12.6951","0.0003","90","","94.094","0.002","90","","7357.5","0.4","110","0.6","110","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Br2 Cl4 Fe N10 O16 -","- C68 H74 Br2 Cl4 Fe N10 O16 -","- C272 H296 Br8 Cl16 Fe4 N40 O64 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","x-ray","1.54184","CuKα","","0.1012","0.0925","","","0.2547","0.2662","","","","","","1.045","","","","has coordinates,has disorder","237931","2020-10-21","18:00:00",""
"4350001","20.3424","0.0006","28.66","0.0009","12.6888","0.0003","90","","94.166","0.002","90","","7378.2","0.4","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Br2 Cl4 Fe N10 O16 -","- C68 H74 Br2 Cl4 Fe N10 O16 -","- C272 H296 Br8 Cl16 Fe4 N40 O64 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","","1.54184","CuKα","","0.1101","0.0932","","","0.2602","0.2802","","","","","","1.019","","","","has coordinates,has disorder","237931","2020-10-21","18:00:00",""
"4350002","11.1308","0.0006","27.8856","0.0014","22.265","0.002","90","","103.407","0.008","90","","6722.5","0.8","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H73.5 Cl2 Fe N10 O15.75 -","- C66 H70 Cl2 Fe N10 O15.75 -","- C264 H280 Cl8 Fe4 N40 O63 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","x-ray","1.54184","CuKα","","0.1443","0.1048","","","0.2835","0.3135","","","","","","1.046","","","","has coordinates","237931","2020-10-21","18:00:00",""
"4350003","13.3187","0.0007","17.8256","0.0013","19.9502","0.0011","108.363","0.006","93.931","0.005","97.687","0.005","4423.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 F12 N7 P2 Ru -","- C43 H29 F12 N7 P2 Ru -","- C172 H116 F48 N28 P8 Ru4 -","4","2","","Gillard, Martin; Laramée-Milette, Baptiste; Deraedt, Quentin; Hanan, Garry S.; Loiseau, Fredérique; Dejeu, Jérôme; Defrancq, Eric; Elias, Benjamin; Marcélis, Lionel","Photodetection of DNA mismatches by dissymmetric Ru(ii) acridine based complexes","Inorganic Chemistry Frontiers","2019","6","9","2260","","10.1039/C9QI00133F","","","0.71073","MoKα","","0.1233","0.0889","","","0.1817","0.1989","","","","","","1.089","","","","has coordinates,has disorder","301841","2025-08-21","00:08:29",""
"4350004","9.2942","0.0001","10.3734","0.0001","13.3197","0.0002","89.528","0.001","85.318","0.001","84.698","0.001","1274.42","0.03","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Co N4 O4 P4 S2 -","- C54 H54 Co N4 O4 P4 S2 -","- C54 H54 Co N4 O4 P4 S2 -","1","0.5","","Ferentinos, Eleftherios; Xu, Meixing; Grigoropoulos, Alexios; Bratsos, Ioannis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Jiang, Shang-Da; Kyritsis, Panayotis","Field-induced slow relaxation of magnetization in the S = 3/2 octahedral complexes trans-[Co{(OPPh2)(EPPh2)N}2(dmf)2], E = S, Se: effects of Co‒Se vs. Co‒S coordination","Inorganic Chemistry Frontiers","2019","6","6","1405","","10.1039/C9QI00135B","","","1.54178","CuKα","","0.0496","0.0442","","","0.1119","0.119","","","","","","1.064","","","","has coordinates","237934","2020-10-21","18:00:00",""
"4350005","9.2622","0.0002","10.4256","0.0002","13.4612","0.0003","89.423","0.001","85.697","0.001","85.389","0.001","1292","0.05","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Co N4 O4 P4 Se2 -","- C54 H54 Co N4 O4 P4 Se2 -","- C54 H54 Co N4 O4 P4 Se2 -","1","0.5","","Ferentinos, Eleftherios; Xu, Meixing; Grigoropoulos, Alexios; Bratsos, Ioannis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Jiang, Shang-Da; Kyritsis, Panayotis","Field-induced slow relaxation of magnetization in the S = 3/2 octahedral complexes trans-[Co{(OPPh2)(EPPh2)N}2(dmf)2], E = S, Se: effects of Co–Se vs. Co–S coordination","Inorganic Chemistry Frontiers","2019","6","6","1405","","10.1039/C9QI00135B","","","1.54178","CuKα","","0.0335","0.0317","","","0.0734","0.0751","","","","","","1.04","","","","has coordinates","301841","2025-08-21","00:08:29",""
"4350006","14.6802","0.0006","16.8579","0.0009","16.1761","0.0007","90","","96.378","0.003","90","","3978.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H49 Cl4 N12 O19 Zn4 -","- C77 H49 Cl4 N12 O19 Zn4 -","- C154 H98 Cl8 N24 O38 Zn8 -","2","0.5","","Dutta, Basudeb; Das, Dhananjoy; Datta, Joydeep; Chandra, Angeera; Jana, Srikanta; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis of a Zn(ii)-based 1D zigzag coordination polymer for the fabrication of optoelectronic devices with remarkably high photosensitivity","Inorganic Chemistry Frontiers","2019","6","5","1245","","10.1039/C9QI00162J","","","0.71073","MoKα","","0.0461","0.0357","","","0.0962","0.1024","","","","","","1.028","","","","has coordinates","237936","2020-10-21","18:00:00",""
"4350007","18.7125","0.001","18.7125","0.001","38.299","0.003","90","","90","","120","","11614","1.3","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H14 Cu2 N2 O10 -","- C21 H14 Cu2 N2 O10 -","- C189 H126 Cu18 N18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yang, Luyao; Zou, Ying; Xia, Fengjie; Wang, Xia; Wang, Xiaojuan; He, Yabing","Incorporation of bifunctional aminopyridine into an NbO-type MOF for the markedly enhanced adsorption of CO2 and C2H2 over CH4","Inorganic Chemistry Frontiers","2019","6","5","1177","","10.1039/C9QI00195F","","","0.71073","MoKα","","0.0508","0.0465","","","0.203","0.217","","","","","","1.016","","","","has coordinates,has disorder","237937","2020-10-21","18:00:00",""
"4350008","25.0169","0.0009","25.2369","0.0008","22.522","0.0006","90","","90","","90","","14219.2","0.8","273","2","273","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H74 Cu5 I4 N44 O16 -","- C33 H28 Cu5 I4 N5 O4 -","- C264 H224 Cu40 I32 N40 O32 -","8","1","","Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling","Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release","Inorganic Chemistry Frontiers","2019","6","5","1261","","10.1039/C9QI00233B","","","0.71073","MoKα","","0.1089","0.0674","","","0.2005","0.2514","","","","","","1.018","","","","has coordinates,has disorder","237939","2020-10-21","18:00:00",""
"4350009","39.189","0.005","39.189","0.005","39.189","0.005","90","","90","","90","","60186","13","293","2","293","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C423 H491 Cu52 I38 N71 O83 -","- C336 H288 Cu52 I38 N40 O60 -","- C1344 H1152 Cu208 I152 N160 O240 -","4","0.0416667","","Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling","Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release","Inorganic Chemistry Frontiers","2019","6","5","1261","","10.1039/C9QI00233B","","","0.71073","MoKα","","0.0817","0.0619","","","0.1832","0.195","","","","","","1.012","","","","has coordinates","237939","2020-10-21","18:00:00",""
"4350010","11.2219","0.0004","13.5403","0.0004","18.5761","0.0006","81.02","0.002","82.265","0.003","82.701","0.003","2746.37","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 Cl3 Eu N8 O21 -","- C45 H63 Cl3 Eu N8 O21 -","- C90 H126 Cl6 Eu2 N16 O42 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","1.54178","CuKα","","0.0662","0.063","","","0.1712","0.1741","","","","","","1.049","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350011","11.0673","0.0006","14.9385","0.0007","16.8102","0.0007","108.393","0.004","107.089","0.004","92.161","0.004","2494.6","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cl2 Eu N9 O17 -","- C44 H56 Cl2 Eu N9 O17 -","- C88 H112 Cl4 Eu2 N18 O34 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0681","0.0583","","","0.1515","0.1596","","","","","","1.059","","","","has coordinates,has disorder","301841","2025-08-21","00:08:30",""
"4350012","10.7892","0.0003","13.9796","0.0004","17.7479","0.0003","73.24","0.002","82.841","0.002","72.131","0.003","2437.62","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 Dy N9 O16 -","- C44 H54 Cl2 Dy N9 O16 -","- C88 H108 Cl4 Dy2 N18 O32 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0783","0.0659","","","0.1655","0.1775","","","","","","1.065","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350013","11.1117","0.0007","14.8294","0.0007","17.051","0.001","109.676","0.005","104.801","0.006","93.316","0.004","2525.7","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Cl2 N9 O17 Tb -","- C45 H58 Cl2 N9 O17 Tb -","- C90 H116 Cl4 N18 O34 Tb2 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","1.54178","CuKα","","0.0921","0.0732","","","0.1965","0.2107","","","","","","1.086","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350014","11.0699","0.0003","14.8478","0.0005","17.1169","0.0006","109.272","0.003","104.997","0.003","93.227","0.002","2534.12","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N9 O16 Sm -","- C45 H56 Cl2 N9 O16 Sm -","- C90 H112 Cl4 N18 O32 Sm2 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0651","0.0588","","","0.1576","0.1655","","","","","","1.031","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350015","17.7872","0.0005","15.8545","0.0004","18.2894","0.0005","90","","90.718","0.002","90","","5157.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Cl3 N8 O11 Tb -","- C44 H64 Cl3 N8 O11 Tb -","- C176 H256 Cl12 N32 O44 Tb4 -","4","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0588","0.0472","","","0.1182","0.1262","","","","","","1.071","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350016","18.739","0.016","19.326","0.016","14.495","0.012","90","","109.52","0.01","90","","4948","7","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B20 Cs12 O40 Zn4 -","- B20 Cs12 O40 Zn4 -","- B80 Cs48 O160 Zn16 -","4","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, AbuduKadi; Yang, Zhihua; Yu, H. H.; Pan, Shilie","From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X3ZnB5O10 (X = Na, K, Rb) and Cs12Zn4(B5O10)4 crystals","Inorganic Chemistry Frontiers","2019","6","6","1461","","10.1039/C9QI00285E","","","0.71073","MoKα","","0.0796","0.0537","","","0.0941","0.1068","","","","","","1.018","","","","has coordinates","237944","2020-10-21","18:00:00",""
"4350017","22.7792","0.0007","12.6008","0.0003","23.8919","0.0007","90","","111.325","0.003","90","","6388.3","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Pr4 Re6 S8 -","- C30 H20 N10 O24 Pr4 Re6 S8 -","- C120 H80 N40 O96 Pr16 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0366","0.0292","","","0.0697","0.0721","","","","","","1.019","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350018","22.8344","0.0004","12.5424","0.0002","23.8734","0.0004","90","","111.117","0.002","90","","6378.2","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N11 Nd4 O22 Re6 S8 -","- C33 H23 N11 Nd4 O22 Re6 S8 -","- C132 H92 N44 Nd16 O88 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0443","0.0311","","","0.0651","0.0688","","","","","","1.019","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350019","22.6022","0.0007","12.3896","0.0003","23.5464","0.0007","90","","110.93","0.004","90","","6158.7","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Re6 S8 Tb4 -","- C30 H20 N10 O24 Re6 S8 Tb4 -","- C120 H80 N40 O96 Re24 S32 Tb16 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0355","0.0291","","","0.0717","0.0743","","","","","","1.034","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350020","22.5433","0.0012","12.3603","0.0006","23.5047","0.0013","90","","110.435","0.006","90","","6137.2","0.6","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ho4 N10 O23 Re6 S8 -","- C30 H20 Ho4 N10 O23 Re6 S8 -","- C120 H80 Ho16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0385","0.0341","","","0.074","0.0759","","","","","","1.096","","","","has coordinates","237947","2020-10-21","18:00:00",""
"4350021","22.754","0.0004","12.52642","0.00019","23.7189","0.0004","90","","111.036","0.002","90","","6310","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Re6 S8 Sm4 -","- C30 H20 N10 O24 Re6 S8 Sm4 -","- C120 H80 N40 O96 Re24 S32 Sm16 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0303","0.0277","","","0.0695","0.0707","","","","","","1.056","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350022","22.5236","0.0007","12.3713","0.0003","23.4758","0.0007","90","","110.565","0.003","90","","6124.6","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Dy4 N10 O21 Re6 S8 -","- C30 H20 Dy4 N10 O21 Re6 S8 -","- C120 H80 Dy16 N40 O84 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1303","0.1321","","","","","","1.288","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350023","22.6751","0.0009","12.4275","0.0006","23.6074","0.001","90","","110.903","0.003","90","","6214.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Gd4 N10 O23 Re6 S8 -","- C30 H20 Gd4 N10 O23 Re6 S8 -","- C120 H80 Gd16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.0432","0.0382","","","0.0986","0.1011","","","","","","1.033","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350024","22.459","0.004","12.321","0.002","23.42","0.003","90","","110.27","0.008","90","","6079.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Er4 N10 O23 Re6 S8 -","- C30 H20 Er4 N10 O23 Re6 S8 -","- C120 H80 Er16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.044","0.0413","","","0.1076","0.1098","","","","","","1.057","","","","has coordinates","237947","2020-10-21","18:00:00",""
"4350025","22.6868","0.0015","12.4553","0.0011","23.6524","0.0017","90","","110.984","0.003","90","","6240.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Eu4 N10 O23 Re6 S8 -","- C30 H20 Eu4 N10 O23 Re6 S8 -","- C120 H80 Eu16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.0373","0.0363","","","0.0932","0.094","","","","","","1.089","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350026","13.68397","0.00019","13.68397","0.00019","15.0654","0.0003","90","","90","","90","","2821.01","0.08","99.7","0.6","99.7","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0281","","","0.0665","0.0676","","","","","","1.173","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350027","13.69968","0.00018","13.69968","0.00018","15.0187","0.0003","90","","90","","90","","2818.73","0.08","299","2","299","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0343","0.0322","","","0.0827","0.084","","","","","","1.172","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350028","13.6944","0.0002","13.6944","0.0002","15.0329","0.0004","90","","90","","90","","2819.22","0.09","250","0.6","250","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0272","","","0.067","0.0685","","","","","","1.133","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350029","13.6875","0.0002","13.6875","0.0002","15.0535","0.0003","90","","90","","90","","2820.24","0.08","150","0.7","150","0.7","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0278","","","0.0699","0.0711","","","","","","1.177","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350030","13.6914","0.0002","13.6914","0.0002","15.0409","0.0004","90","","90","","90","","2819.48","0.09","199","2","199","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0279","","","0.0695","0.0709","","","","","","1.182","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350031","29.2975","0.0013","8.137","0.0003","22.1923","0.0009","90","","126.24","0.001","90","","4267","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H24 Bi Br6 N3 -","- C9 H24 Bi Br6 N3 -","- C72 H192 Bi8 Br48 N24 -","8","1","","Yang, Tao; Teng, Bing; Han, Shiguo; Li, Maofan; Xu, Zhiyun; Li, Yaobin; Liu, Yi; Luo, Junhua; Sun, Zhihua","Structural phase transition and dielectric anisotropy properties of a lead-free organic‒inorganic hybrid","Inorganic Chemistry Frontiers","2019","6","7","1761","","10.1039/C9QI00365G","","","0.71073","MoKα","","0.0283","0.0228","","","0.0575","0.0711","","","","","","1.16","","","","has coordinates","237952","2020-10-21","18:00:00",""
"4350032","22.2211","0.0005","8.3379","0.0002","12.2913","0.0003","90","","103.866","0.001","90","","2210.94","0.09","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H24 Bi Br6 N3 -","- C9 H24 Bi Br6 N3 -","- C36 H96 Bi4 Br24 N12 -","4","0.5","","Yang, Tao; Teng, Bing; Han, Shiguo; Li, Maofan; Xu, Zhiyun; Li, Yaobin; Liu, Yi; Luo, Junhua; Sun, Zhihua","Structural phase transition and dielectric anisotropy properties of a lead-free organic‒inorganic hybrid","Inorganic Chemistry Frontiers","2019","6","7","1761","","10.1039/C9QI00365G","","","0.71073","MoKα","","0.0669","0.0471","","","0.1297","0.1444","","","","","","1.091","","","","has coordinates","237952","2020-10-21","18:00:00",""
"4350033","8.4551","0.0006","13.8353","0.0011","25.1199","0.0019","90","","96.7756","0.0016","90","","2918","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B Co2 F4 O3 S2 -","- C26 H43 B Co2 F4 O3 S2 -","- C104 H172 B4 Co8 F16 O12 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0578","0.0536","","","0.1375","0.1401","","","","","","1.026","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350034","20.2675","0.0009","11.2385","0.0005","15.4741","0.0007","90","","104.843","0.001","90","","3407","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Co2 F6 N O2 P S2 -","- C29 H50 Co2 F6 N O2 P S2 -","- C116 H200 Co8 F24 N4 O8 P4 S8 -","4","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0431","0.0414","","","0.1195","0.121","","","","","","1.035","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350035","18.7475","0.0006","12.8019","0.0004","10.6678","0.0003","90","","93.166","0.001","90","","2556.4","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H40 Co2 O3 S2 -","- C25 H40 Co2 O3 S2 -","- C100 H160 Co8 O12 S8 -","4","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0334","0.0315","","","0.0945","0.0957","","","","","","1.064","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350036","8.5889","0.0004","14.0677","0.0007","25.989","0.0012","90","","98.025","0.001","90","","3109.4","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Co2 F6 O3 P S2 -","- C26 H43 Co2 F6 O3 P S2 -","- C104 H172 Co8 F24 O12 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1328","0.1441","","","","","","1.043","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350037","8.0243","0.0007","15.9984","0.0013","10.5134","0.0009","90","","111.481","0.002","90","","1255.92","0.19","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H40 Co2 S2 -","- C24 H40 Co2 S2 -","- C48 H80 Co4 S4 -","2","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0559","0.0486","","","0.131","0.1338","","","","","","1.19","","","","has coordinates,has disorder","237955","2020-10-21","18:00:00",""
"4350038","15.3556","0.0009","11.3607","0.0006","20.2644","0.0011","90","","108.549","0.001","90","","3351.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Co2 F6 N O2 P S2 -","- C28 H47 Co2 F6 N O2 P S2 -","- C112 H188 Co8 F24 N4 O8 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0405","0.0379","","","0.1083","0.1102","","","","","","0.988","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350039","16.2996","0.001","8.8769","0.0005","24.0942","0.0014","90","","94.178","0.001","90","","3476.9","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Co2 F6 N O2 P S2 -","- C29 H50 Co2 F6 N O2 P S2 -","- C116 H200 Co8 F24 N4 O8 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.046","0.045","","","0.1228","0.1235","","","","","","1.057","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350040","8.6079","0.0006","14.3633","0.001","25.9474","0.0019","90","","96.4298","0.0014","90","","3187.9","0.4","190","2","190","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 Co2 F6 N0 O3 P S2 -","- C27 H45 Co2 F6 O3 P S2 -","- C108 H180 Co8 F24 O12 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0434","0.0417","","","0.1128","0.1137","","","","","","1.063","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350041","8.595","0.0005","11.961","0.0007","14.2279","0.0008","76.476","0.001","86.43","0.001","88.239","0.001","1419.18","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 B Co2 F4 O3 S2 -","- C25 H41 B Co2 F4 O3 S2 -","- C50 H82 B2 Co4 F8 O6 S4 -","2","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0344","0.033","","","0.0959","0.0968","","","","","","1.04","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350042","29.56","0.003","11.5592","0.0014","9.7924","0.0011","90","","90","","90","","3346","0.6","143","2","143","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Ni(12-TMC)(NO3)](NO3)","","","- C36 H48 B N5 Ni O3 -","- C36 H48 B N5 Ni O3 -","- C144 H192 B4 N20 Ni4 O12 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.0881","0.0549","","","0.1267","0.1435","","","","","","0.966","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350043","11.6991","0.0007","9.8702","0.0006","30.3175","0.0016","90","","97.873","0.002","90","","3467.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(Me6-trien)(NO3)](BPh4)","","","- C36 H50 B N5 Ni O3 -","- C36 H50 B N5 Ni O3 -","- C144 H200 B4 N20 Ni4 O12 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.0896","0.0644","","","0.1341","0.1457","","","","","","1.094","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350044","35.547","0.002","11.683","0.0007","9.281","0.0006","90","","90","","90","","3854.4","0.4","133","2","133","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Ni(Me6-trien](ClO4)(BPh4)((CH3)2CO)","","","- C39 H56 B Cl N4 Ni O5 -","- C39 H56 B Cl N4 Ni O5 -","- C156 H224 B4 Cl4 N16 Ni4 O20 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.1039","0.0725","","","0.1426","0.1546","","","","","","1.146","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350045","9.7176","0.0008","10.6577","0.0006","18.0389","0.0012","90","","90","","90","","1868.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0452","0.0262","","","0.0648","0.0682","","","","","","1.036","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350046","11.1816","0.0009","12.7406","0.0012","13.2577","0.0013","90","","90","","90","","1888.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0421","0.0347","","","0.1163","0.1292","","","","","","1.175","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350047","12.7939","0.0015","13.5872","0.001","13.4322","0.0009","90","","93.677","0.008","90","","2330.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 Cl10 N4 Zn2 -","- C36 H50 Cl10 N4 Zn2 -","- C72 H100 Cl20 N8 Zn4 -","2","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.7107","MoKα","","0.0713","0.0497","","","0.164","0.1951","","","","","","1.139","","","","has coordinates,has disorder","237959","2020-10-21","18:00:00",""
"4350048","17.67","0.003","17.67","0.003","8.0543","0.0016","90","","90","","90","","2514.8","0.8","150","","150","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C30 H12 Fe3 N2 O17.64 S -","- C30 H12 Fe3 N2 O17.64 S -","- C60 H24 Fe6 N4 O35.28 S2 -","2","0.125","","Tu, Thach N.; Nguyen, Huong T. D.; Tran, Nhung Thi","Tailoring the pore size and shape of the one-dimensional channels in iron-based MOFs for enhancing the methane storage capacity","Inorganic Chemistry Frontiers","2019","6","9","2441","","10.1039/C9QI00543A","","","1.54178","CuKα","","0.1807","0.1424","","","0.3451","0.37","","","","","","1.606","","","","has coordinates","237961","2020-10-21","18:00:00",""
"4350049","15.7067","0.0015","18.4252","0.0018","8.8199","0.0008","90","","90","","90","","2552.5","0.4","123","","123","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H26 Fe N6 S2 -","- C26 H26 Fe N6 S2 -","- C104 H104 Fe4 N24 S8 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0447","0.0335","","","0.0656","0.0698","","","","","","1.029","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350050","8.9005","0.0006","35.872","0.002","9.8596","0.0006","90","","115.085","0.002","90","","2851","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Fe N6 S2 -","- C30 H30 Fe N6 S2 -","- C120 H120 Fe4 N24 S8 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71076","MoKα","","0.0934","0.0527","","","0.085","0.0959","","","","","","1.0751","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350051","23.453","0.003","18.8759","0.0018","18.3057","0.0018","90","","101.887","0.003","90","","7930.1","1.5","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H96 B6 Fe3 N18 -","- C78 H96 B6 Fe3 N18 -","- C312 H384 B24 Fe12 N72 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.1931","0.0621","","","0.105","0.1488","","","","","","0.918","","","","has coordinates,has disorder","237963","2020-10-21","18:00:00",""
"4350052","36.267","0.003","8.7886","0.0005","18.2623","0.0011","90","","90","","90","","5820.9","0.7","173","2","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H30 Fe N6 S2 -","- C30 H30 Fe N6 S2 -","- C240 H240 Fe8 N48 S16 -","8","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0292","0.0241","","","0.0564","0.0581","","","","","","1.027","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350053","9.0702","0.0008","17.6164","0.0014","17.5397","0.0015","90","","95.001","0.003","90","","2791.9","0.4","123","2","123.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 Fe N6 -","- C30 H36 B2 Fe N6 -","- C120 H144 B8 Fe4 N24 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0459","0.0368","","","0.0777","0.0802","","","","","","1.111","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350054","9.1122","0.001","18.0717","0.0016","18.077","0.0018","90","","93.971","0.004","90","","2969.6","0.5","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 Fe N6 -","- C30 H36 B2 Fe N6 -","- C120 H144 B8 Fe4 N24 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0633","0.0409","","","0.0856","0.0923","","","","","","1.063","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350055","9.1025","0.0006","17.8172","0.0013","17.8861","0.0012","90","","92.747","0.003","90","","2897.5","0.3","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Fe N6 Se2 -","- C30 H30 Fe N6 Se2 -","- C120 H120 Fe4 N24 Se8 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property–structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.032","0.027","","","0.0609","0.063","","","","","","1.044","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350056","18.954","0.002","15.8604","0.0019","8.7328","0.0009","90","","90","","90","","2625.2","0.5","123","2","123","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C26 H26 Fe N6 Se2 -","- C26 H26 Fe N6 Se2 -","- C104 H104 Fe4 N24 Se8 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.1449","0.0847","","","0.1618","0.1843","","","","","","1.118","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350057","17.4552","0.0005","10.5988","0.0003","24.3721","0.0006","90","","109.215","0.001","90","","4257.7","0.2","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Cl6 Dy N5 O4 -","- C45 H34 Cl6 Dy N5 O4 -","- C180 H136 Cl24 Dy4 N20 O16 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy–HOFs): thermally triggered off → on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.068","0.0378","","","0.0801","0.0913","","","","","","1.054","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350058","18.39","0.04","11.17","0.02","25.9","0.05","90","","108.69","0.03","90","","5040","17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Br6 Dy N5 O4 -","- C45 H35 Br6 Dy N5 O4 -","- C180 H140 Br24 Dy4 N20 O16 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.0654","0.0419","","","0.115","0.1317","","","","","","1.016","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350059","10.3824","0.0005","18.8386","0.0011","21.0988","0.0013","90","","99.618","0.002","90","","4068.7","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 Dy N8 O11 -","- C39 H35 Br2 Dy N8 O11 -","- C156 H140 Br8 Dy4 N32 O44 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.0669","0.0407","","","0.0921","0.105","","","","","","1.084","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350060","17.7059","0.0006","18.3642","0.0004","13.6199","0.0004","90","","111.014","0.004","90","","4134","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Br6 Cl Dy N4 O3 -","- C40 H28 Br6 Cl Dy N4 O3 -","- C160 H112 Br24 Cl4 Dy4 N16 O12 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","x-ray","0.71073","MoKα","","0.05","0.0334","","","0.0649","0.0712","","","","","","1.063","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350061","11.1835","0.0005","13.2011","0.0005","43.0944","0.0018","90","","91.9","0.001","90","","6358.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H124 Er2 N26 O35.4 P4 W2 -","- C108.6 H124 Er2 N26 O35.4 P4 W2 -","- C217.2 H248 Er4 N52 O70.8 P8 W4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0906","0.0589","","","0.1055","0.1136","","","","","","1.165","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350062","11.1666","0.0003","13.1043","0.0004","43.0681","0.0013","90","","92.06","0.001","90","","6298.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H124 N26 O35.4 P4 W2 Yb2 -","- C108.6 H124 N26 O35.4 P4 W2 Yb2 -","- C217.2 H248 N52 O70.8 P8 W4 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1273","0.0944","","","0.1625","0.1708","","","","","","1.402","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350063","11.1462","0.0013","13.0441","0.0017","42.861","0.005","90","","92.511","0.003","90","","6225.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104.6 H86 N26 O34 P4 W2 Yb2 -","- C104.6 H86 N26 O34 P4 W2 Yb2 -","- C209.2 H172 N52 O68 P8 W4 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1622","0.1077","","","0.1742","0.1874","","","","","","1.27","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350064","11.1351","0.0011","13.0368","0.0013","42.691","0.004","90","","93.43","0.002","90","","6186.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104.6 H86 Mo2 N26 O34 P4 Yb2 -","- C104.6 H86 Mo2 N26 O34 P4 Yb2 -","- C209.2 H172 Mo4 N52 O68 P8 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1329","0.121","","","0.2571","0.2614","","","","","","1.461","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350065","11.1828","0.0004","13.1725","0.0005","43.058","0.0016","90","","91.951","0.001","90","","6339","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H128 Mo2 N26 O35.4 P4 Yb2 -","- C108.6 H128 Mo2 N26 O35.4 P4 Yb2 -","- C217.2 H256 Mo4 N52 O70.8 P8 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0637","0.0487","","","0.0893","0.0934","","","","","","1.181","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350066","11.1793","0.0003","13.1976","0.0004","43.0696","0.0013","90","","91.918","0.001","90","","6350.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H128 Er2 Mo2 N26 O35.4 P4 -","- C108.6 H128 Er2 Mo2 N26 O35.4 P4 -","- C217.2 H256 Er4 Mo4 N52 O70.8 P8 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0625","0.0531","","","0.1012","0.1038","","","","","","1.286","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350067","37.4445","0.0004","37.4445","0.0004","42.9264","0.0005","90","","90","","120","","52123.2","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C152 H52 Cl0 N12 O0 Tb -","- C152 H52 N12 Tb -","- C2736 H936 N216 Tb18 -","18","1","","Yang, Liguo; Wang, Xin; Zhu, Mengliang; Xiao, Tongtong; Ouyang, Zhongwen; Bian, Yongzhong; Wang, Zhenxing; Jiang, Jianzhuang","Ferromagnetic coupling between 4f- and delocalized π-radical spins in mixed (phthalocyaninato)(porphyrinato) rare earth double-decker SMMs","Inorganic Chemistry Frontiers","2019","6","8","2142","","10.1039/C9QI00595A","","","0.71073","MoKα","","0.0882","0.0603","","","0.1909","0.2129","","","","","","0.815","","","","has coordinates","237971","2020-10-21","18:00:00",""
"4350068","17.3539","0.0003","8.80152","0.00017","19.8411","0.0003","90","","90","","90","","3030.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(Pz-COO)(Py)2]2 2H2O","[Cu(Pz-COO)(Py)2]2 2H2O","","- C28 H28 Cu2 N8 O6 -","- C28 H28 Cu2 N8 O6 -","- C112 H112 Cu8 N32 O24 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0394","0.0367","","","0.1039","0.1063","","","","","","1.041","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350069","9.5552","0.0007","9.6001","0.0007","12.4239","0.0009","79.964","0.006","84.269","0.006","67.98","0.007","1039.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu3(pdc)2(Py)6(H2O)2](H2O)","[Cu3(pdc)2(Py)6(H2O)2](H2O)","","- C40 H40 Cu3 N10 O12 -","- C40 H40 Cu3 N10 O12 -","- C40 H40 Cu3 N10 O12 -","1","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0542","0.0453","","","0.123","0.1285","","","","","","1.057","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350070","8.2386","0.0003","11.5739","0.0004","13.9034","0.0004","90","","90.524","0.003","90","","1325.67","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(ligand)(Cl)2(H2O)].H2O","","","- C9 H11 Cl2 Cu N3 O4 -","- C9 H11 Cl2 Cu N3 O4 -","- C36 H44 Cl8 Cu4 N12 O16 -","4","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0332","0.028","","","0.072","0.0745","","","","","","1.037","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350071","8.8416","0.0002","12.3762","0.0003","15.4438","0.0003","90","","92.371","0.002","90","","1688.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ligand1-Hppca","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","2","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54178","CuKα","","0.0448","0.0343","","","0.0868","0.0918","","","","","","1.033","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350072","22.869","0.0004","10.96066","0.00016","8.34393","0.00014","90","","90","","90","","2091.48","0.06","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Cu(L)2(Py)2](Et4N)2 3H2O","","","- C36 H58 Cu2 N8 O11 -","- C36 H58 Cu2 N8 O11 -","- C72 H116 Cu4 N16 O22 -","2","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.067","0.0635","","","0.1764","0.1806","","","","","","1.03","","","","has coordinates,has disorder","237974","2020-10-21","18:00:00",""
"4350073","21.6716","0.0004","7.9164","0.00015","32.934","0.0005","90","","93.2825","0.0015","90","","5640.92","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Et4N)4[Cu(pdc)2](H2O)10","(Et4N)4[Cu(pdc)2](H2O)10","","- C42 H102 Cu N8 O18 -","- C42 H102 Cu N8 O18 -","- C168 H408 Cu4 N32 O72 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0345","0.0304","","","0.0818","0.0849","","","","","","1.057","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350074","15.3643","0.0002","16.89","0.0002","17.5664","0.0002","90","","104.544","0.0014","90","","4412.46","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu3(L)2(2-Me-Py)3(H2O)4].2-Me-Py.THF.2H2O","","","- C38 H50 Cu3 N8 O15 -","- C38 H50 Cu3 N8 O15 -","- C152 H200 Cu12 N32 O60 -","4","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0402","0.0329","","","0.088","0.092","","","","","","1.033","","","","has coordinates,has disorder","301841","2025-08-21","00:08:30",""
"4350075","14.1353","0.0007","10.5943","0.0005","17.9376","0.0009","90","","106.5","0.005","90","","2575.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(ligand)(Py)]2","","","- C28 H22 Cu N8 O4 -","- C28 H22 Cu N8 O4 -","- C112 H88 Cu4 N32 O16 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","0.71073","MoKα","","0.0536","0.0377","","","0.0778","0.0844","","","","","","1.044","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350076","5.7124","0.0007","7.3887","0.0005","11.528","0.001","92.199","0.006","98.583","0.009","99.681","0.008","473.26","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Me-Py-Pz-COOH","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl–pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0601","0.0488","","","0.128","0.1322","","","","","","1.069","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350077","8.6372","0.0006","15.7157","0.0009","12.0166","0.0008","90","","106.087","0.007","90","","1567.26","0.18","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag Cl N6 O6 P2 -","- C30 H24 Ag Cl N6 O6 P2 -","- C60 H48 Ag2 Cl2 N12 O12 P4 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1284","0.1344","","","","","","1.071","","","","has coordinates,has disorder","237976","2020-10-21","18:00:00",""
"4350078","8.5466","0.0003","15.6404","0.0004","11.9157","0.0004","90","","105.93","0.004","90","","1531.63","0.09","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag Cl N6 O6 P2 -","- C30 H24 Ag Cl N6 O6 P2 -","- C60 H48 Ag2 Cl2 N12 O12 P4 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.0477","0.0412","","","0.1162","0.122","","","","","","1.069","","","","has coordinates,has disorder","237976","2020-10-21","18:00:00",""
"4350079","9.3435","0.0007","9.9903","0.0008","17.8533","0.0015","81.01","0.005","88.125","0.005","82.406","0.004","1631.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","silver(I) complex with tris(2-pyridyl)phosphine oxide","","- C30 H24 Ag B F4 N6 O2 P2 -","- C30 H24 Ag B F4 N6 O2 P2 -","- C60 H48 Ag2 B2 F8 N12 O4 P4 -","2","1","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","","0.71073","MoKα","","0.0668","0.0515","","","0.1598","0.1735","","","","","","1.045","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350080","8.8857","0.0004","15.5795","0.0006","12.0439","0.0005","90","","107.786","0.005","90","","1587.6","0.12","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ag F3 N6 O5 P2 S -","- C31 H24 Ag F3 N6 O5 P2 S -","- C62 H48 Ag2 F6 N12 O10 P4 S2 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.0313","0.0274","","","0.0597","0.0611","","","","","","1.126","","","","has coordinates","237976","2020-10-21","18:00:00",""
"4350081","23.688","0.003","17.7123","0.0017","33.552","0.003","90","","90","","90","","14077","3","128","3","128","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Dy8 N52 O56 -","- C84 H70 Co4 Dy8 N52 O56 -","- C336 H280 Co16 Dy32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1677","0.0979","","","0.1907","0.2322","","","","","","1.086","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350082","24.1637","0.0009","17.1973","0.0009","33.583","0.0012","90","","90","","90","","13955.4","1","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H66 Co4 N52 O56 Tm8 -","- C82 H66 Co4 N52 O56 Tm8 -","- C328 H264 Co16 N208 O224 Tm32 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1213","0.085","","","0.1989","0.223","","","","","","1.015","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350083","24.0051","0.0009","17.292","0.0006","33.5961","0.0008","90","","90","","90","","13945.6","0.8","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Ho8 N52 O56 -","- C84 H70 Co4 Ho8 N52 O56 -","- C336 H280 Co16 Ho32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1243","0.0787","","","0.199","0.2185","","","","","","1.084","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350084","12.4385","0.001","11.1158","0.0006","18.6465","0.0016","90","","109.358","0.004","90","","2432.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 I12 N4 Pb3 -","- C12 H28 I12 N4 Pb3 -","- C24 H56 I24 N8 Pb6 -","2","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0972","0.0774","","","0.1825","0.192","","","","","","0.918","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350085","11.27","0.003","15.861","0.004","11.479","0.003","90","","118.201","0.003","90","","1808.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 Br10 N6 Pb3 -","- C14 H38 Br10 N6 Pb3 -","- C28 H76 Br20 N12 Pb6 -","2","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0676","0.0578","","","0.1334","0.135","","","","","","1.02","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350086","9.5123","0.0008","13.4417","0.0012","19.1192","0.0017","75.665","0.001","89.924","0.001","72.466","0.001","2251.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H44 I10 N4 Pb3 -","- C16 H44 I10 N4 Pb3 -","- C32 H88 I20 N8 Pb6 -","2","1","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0505","0.0366","","","0.0824","0.0872","","","","","","1.037","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350087","24.171","0.006","15.841","0.004","9.29","0.002","90","","90","","90","","3557.1","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H21 I9 N2 Pb3 -","- C8 H20 I9 N2 Pb3 -","- C32 H80 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0433","0.0379","","","0.0839","0.0858","","","","","","1.003","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350088","9.2418","0.0014","23.535","0.004","15.709","0.002","90","","90","","90","","3416.8","0.9","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H19 I9 N2 Pb3 -","- C8 H18 I9 N2 Pb3 -","- C32 H72 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0391","0.034","","","0.0794","0.0816","","","","","","0.974","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350089","15.7662","0.0004","9.1066","0.0002","17.4455","0.0005","90","","104.876","0.003","90","","2420.81","0.11","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N13 O3 Yb -","- C18 H20 B2 N13 O3 Yb -","- C72 H80 B8 N52 O12 Yb4 -","4","1","","Guégan, Frédéric; Jung, Julie; Le Guennic, Boris; Riobé, François; Maury, Olivier; Gillon, Béatrice; Jacquot, Jean-François; Guyot, Yannick; Morell, Christophe; Luneau, Dominique","Evidencing under-barrier phenomena in a Yb(iii) SMM: a joint luminescence/neutron diffraction/SQUID study","Inorganic Chemistry Frontiers","2019","6","11","3152","","10.1039/C9QI00726A","","","0.71073","MoKα","","0.0287","0.0236","","0.0264","0.0257","0.0257","","","","","","1.0746","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350090","24.288","0.002","7.3001","0.0006","10.3726","0.0009","90","","94.949","0.008","90","","1832.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O3 P Zn -","- C8 H7 N O3 P Zn -","- C64 H56 N8 O24 P8 Zn8 -","8","1","","Ge, Bang-Di; Han, Yue; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Tunable photochromic properties of hybrid solids controlled by the conjugated length of non-photochromic units","Inorganic Chemistry Frontiers","2019","6","9","2435","","10.1039/C9QI00730J","","","0.71073","MoKα","","0.0449","0.0294","","","0.0613","0.068","","","","","","1.063","","","","has coordinates","237982","2020-10-21","18:00:00",""
"4350091","14.2342","0.0014","15.3701","0.0015","15.5819","0.0015","65.102","0.003","83.431","0.003","78.541","0.003","3028.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')-bis{1-methyl-2-(naphthalen-2-yl)-1H-benzo[d]imidazole-κN,C)}-iridium(III) hexafluorophosphate 3(1,2-dichloroethane) 0.33hexane solvate","","- C62 H48 Cl6 F6 Ir N8 P -","- C62 H48 Cl6 F6 Ir N8 P -","- C124 H96 Cl12 F12 Ir2 N16 P2 -","2","1","","Novohradsky, Vojtech; Vigueras, Gloria; Pracharova, Jitka; Cutillas, Natalia; Janiak, Christoph; Kostrhunova, Hana; Brabec, Viktor; Ruiz, Jose; Kasparkova, Jana","Molecular superoxide radical photogeneration in cancer cells by dipyridophenazine iridium(iii) complexes","Inorganic Chemistry Frontiers","2019","6","9","2500","","10.1039/C9QI00811J","","","0.71073","MoKα","","0.0424","0.0412","","","0.1123","0.1133","","","","","","1.083","","","","has coordinates,has disorder","237984","2020-10-21","18:00:00",""
"4350092","7.975","0.0003","22.7119","0.0011","32.7398","0.0014","90","","90","","90","","5930.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl O6 Os -","- C31 H33 Cl O6 Os -","- C248 H264 Cl8 O48 Os8 -","8","1","","Pettinari, Riccardo; Marchetti, Fabio; Di Nicola, Corrado; Pettinari, Claudio; Cuccioloni, Massimiliano; Bonfili, Laura; Eleuteri, Anna Maria; Therrien, Bruno; Batchelor, Lucinda K.; Dyson, Paul J.","Novel osmium(ii)‒cymene complexes containing curcumin and bisdemethoxycurcumin ligands","Inorganic Chemistry Frontiers","2019","6","9","2448","","10.1039/C9QI00843H","","","0.71073","MoKα","","0.1779","0.0937","","","0.215","0.2565","","","","","","1.029","","","","has coordinates,has disorder","237986","2020-10-21","18:00:00",""
"4350093","10.897","0.003","10.372","0.003","29.943","0.008","90","","96.4","0.004","90","","3363.2","1.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C70 H60 F12 Mn N8 O6 P2 -","- C70 H60 F12 Mn N8 O6 P2 -","- C140 H120 F24 Mn2 N16 O12 P4 -","2","0.5","","Tian, Xiaohe; Xiao, Lufei; Shen, Yu; Luo, Lei; Zhang, Guilong; Zhang, Qiong; Li, Dandan; Wu, Jieying; Wu, Zhengyan; Zhang, Zhongping; Tian, Yupeng","A combination of super-resolution fluorescence and magnetic resonance imaging using a Mn(ii) compound","Inorganic Chemistry Frontiers","2019","6","10","2914","","10.1039/C9QI00895K","","","0.71073","MoKα","","0.1662","0.0863","","","0.2481","0.2902","","","","","","1.001","","","","has coordinates,has disorder","301841","2025-08-21","00:08:30",""
"4350094","32.3884","0.0003","29.3119","0.0005","16.0224","0.0003","90","","90","","90","","15211.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C344 H504 Cu23 N200 Ni3 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.1058","0.0949","","","0.2964","0.308","","","","","","1.231","","","","has coordinates","237991","2020-10-21","18:00:00",""
"4350095","17.5625","0.0007","17.6025","0.0008","17.9412","0.0007","96.994","0.007","104.782","0.007","109.072","0.008","4939.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H168 Co Cu8 N72 O18 W6 -","- C138 H168 Co Cu8 N72 O18 W6 -","- C138 H168 Co Cu8 N72 O18 W6 -","1","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.71075","MoKα","","0.1412","0.1099","","","0.2699","0.2901","","","","","","1.09","","","","has coordinates,has disorder","237991","2020-10-21","18:00:00",""
"4350096","32.2076","0.0003","29.6713","0.0004","16.127","0.0002","90","","90","","90","","15411.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Co Cu12 N100 O W8 -","- C172 H252 Co Cu12 N100 O W8 -","- C344 H504 Co2 Cu24 N200 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.0918","0.0838","","","0.2383","0.2474","","","","","","1.118","","","","has coordinates,has disorder","237991","2020-10-21","18:00:00",""
"4350097","7.881","0.005","9.879","0.005","21.399","0.005","80.536","0.005","88.69","0.005","81.763","0.005","1626.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Fe N5 O17 -","- C28 H22 Cu2 Fe N5 O17 -","- C56 H44 Cu4 Fe2 N10 O34 -","2","1","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","x-ray","1.54184","CuKα","","0.0771","0.0669","","","0.1845","0.1997","","","","","","1.035","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350098","15.381","0.0003","15.381","0.0003","15.381","0.0003","90","","90","","90","","3638.76","0.12","293","2","293","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Cu Fe2 N6 O13 -","- C36 H24 Cu Fe2 N6 O13 -","- C144 H96 Cu4 Fe8 N24 O52 -","4","0.166667","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","","1.54179","CuKα","","0.0502","0.0467","","","0.1364","0.1405","","","","","","1.116","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350099","7.8701","0.0014","9.6808","0.001","21.3966","0.0014","80.389","0.007","88.275","0.011","81.506","0.013","1589.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H16 Cu2 Fe K N4 O17 -","- C28 H16 Cu2 Fe K N4 O17 -","- C56 H32 Cu4 Fe2 K2 N8 O34 -","2","1","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","","0.71073","MoKα","","0.051","0.0391","","","0.102","0.1085","","","","","","1.064","","","","has coordinates,has disorder","237994","2020-10-21","18:00:00",""
"4350100","15.379","0.005","15.379","0.005","15.379","0.005","90","0.005","90","0.005","90","0.005","3637","2","293","2","293","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Cu Fe2 N6 O12 -","- C36 H24 Cu Fe2 N6 O12 -","- C144 H96 Cu4 Fe8 N24 O48 -","4","0.166667","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","x-ray","1.54179","CuKα","","0.0593","0.0593","","","0.1433","0.1433","","","","","","1.141","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350101","31.955","0.005","5.0786","0.0005","23.326","0.003","90","","114.477","0.013","90","","3445.3","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C152 H160 N32 O24 -","8","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.","A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging","Inorganic Chemistry Frontiers","2019","6","11","3237","","10.1039/C9QI00992B","","","0.71073","MoKα","","0.1402","0.0924","","","0.2183","0.2537","","","","","","1.06","","","","has coordinates","301841","2025-08-21","00:08:30",""
"4350102","7.3965","0.0018","9.957","0.002","13.9","0.003","90","","91.053","0.004","90","","1023.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 Cl2 Cu N4 O4 -","- C19 H22 Cl2 Cu N4 O4 -","- C38 H44 Cl4 Cu2 N8 O8 -","2","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.","A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging","Inorganic Chemistry Frontiers","2019","6","11","3237","","10.1039/C9QI00992B","","","0.71073","MoKα","","0.0405","0.0361","","","0.0905","0.093","","","","","","1.062","","","","has coordinates","237997","2020-10-21","18:00:00",""
"4350103","9.1059","0.001","9.2243","0.001","13.2852","0.0015","76.875","0.002","80.247","0.002","62.573","0.002","961.88","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O10 Zn -","- C18 H17 N O10 Zn -","- C36 H34 N2 O20 Zn2 -","2","1","","Li, Li; Tu, Zu-Ming; Hua, Yang; Li, Xiao-Nan; Wang, Hai-Yu; Zhang, Hong","A novel multifunction photochromic metal‒organic framework for rapid ultraviolet light detection, amine-selective sensing and inkless and erasable prints","Inorganic Chemistry Frontiers","2019","6","11","3077","","10.1039/C9QI01037H","","","0.71073","MoKα","","0.0385","0.0353","","","0.1061","0.1082","","","","","","1.058","","","","has coordinates","238000","2020-10-21","18:00:00",""
"4350104","16.1096","0.001","11.7548","0.0006","12.7052","0.0009","90","","90","","90","","2405.9","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H20 Ca Li2 N12 O18 -","- C12 H20 Ca Li2 N12 O18 -","- C48 H80 Ca4 Li8 N48 O72 -","4","0.25","","Meng, Xianghe; Liang, Fei; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Zeng, Tixian; Kang, Bin; Lin, Zheshuai; Xia, Mingjun","LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates","Inorganic Chemistry Frontiers","2019","6","10","2850","","10.1039/C9QI01047E","","","0.71073","MoKα","","0.0431","0.0355","","","0.1013","0.1068","","","","","","1.046","","","","has coordinates","238002","2020-10-21","18:00:00",""
"4350105","17.0294","0.0006","6.5546","0.0002","23.1652","0.0008","90","","101.245","0.003","90","","2536.08","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Ba N12 Na2 O18 -","- C12 H20 Ba N12 Na2 O18 -","- C48 H80 Ba4 N48 Na8 O72 -","4","0.5","","Meng, Xianghe; Liang, Fei; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Zeng, Tixian; Kang, Bin; Lin, Zheshuai; Xia, Mingjun","LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates","Inorganic Chemistry Frontiers","2019","6","10","2850","","10.1039/C9QI01047E","","","0.71073","MoKα","","0.0188","0.0183","","","0.0453","0.0456","","","","","","1.09","","","","has coordinates","238002","2020-10-21","18:00:00",""
"4350106","13.3901","0.0004","16.8437","0.0004","22.893","0.0007","90","","90.552","0.001","90","","5163","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[2,2'-(tris(2-pyridyl)phosphine)]-dithiocyanato-di-silver(I) chloroform solvate","","- C48 H37 Ag2 Cl3 N11 P3 S2 -","- C48 H37 Ag2 Cl3 N11 P3 S2 -","- C192 H148 Ag8 Cl12 N44 P12 S8 -","4","1","","Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut","Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement","Inorganic Chemistry Frontiers","2019","6","11","3168","","10.1039/C9QI01069F","","","0.71073","MoKα","","0.0745","0.0472","","","0.119","0.1402","","","","","","1.042","","","","has coordinates,has disorder","238004","2020-10-21","18:00:00",""
"4350107","10.8909","0.0002","15.2773","0.0004","26.0826","0.0006","90","","90","","90","","4339.72","0.17","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris[tris(2-pyridyl)phosphine)thiocyanato-silver(I)]","","- C46 H36 Ag N10 P3 S -","- C46 H36 Ag N10 P3 S -","- C184 H144 Ag4 N40 P12 S4 -","4","1","","Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut","Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement","Inorganic Chemistry Frontiers","2019","6","11","3168","","10.1039/C9QI01069F","","","0.71073","MoKα","","0.0397","0.0306","","","0.0648","0.069","","","","","","1.015","","","","has coordinates","238004","2020-10-21","18:00:00",""
"4350108","30.121","0.003","25.7007","0.0019","18.617","0.0017","90","","105.358","0.01","90","","13897","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C182 H64 Cl6 N20 O5 Y2 -","- C182 H64 Cl6 N20 O5 Y2 -","- C728 H256 Cl24 N80 O20 Y8 -","4","0.5","","Wang, Chiming; Qi, Dongdong; Lu, Guang; Wang, Hailong; Chen, Yanli; Jiang, Jianzhuang","High mobility at the interface of the cocrystallized sandwich-type tetrapyrrole metal compound and fullerene layers","Inorganic Chemistry Frontiers","2019","6","11","3345","","10.1039/C9QI01130G","","","0.71073","MoKα","","0.2364","0.1495","","","0.39","0.4345","","","","","","1.213","","","","has coordinates,has disorder","238008","2020-10-21","18:00:00",""
"4500056","15.118","0.002","15.118","0.002","9.105","0.0018","90","","90","","90","","2081","0.6","276","2","276","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C50 H32 N6 O2 -","- C50 H32 N6 O2 -","- C100 H64 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0603","0.0538","","","0.1505","0.1602","","","","","","1.059","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4500057","9.053","0.0018","15.12","0.003","15.057","0.003","90","","102.25","0.03","90","","2014.1","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H32 N6 O2 -","- C50 H32 N6 O2 -","- C100 H64 N12 O4 -","2","0.5","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.1219","0.0788","","","0.2073","0.2268","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500058","15.2168","0.0003","15.2168","0.0003","9.0188","0.0003","90","","90","","90","","2088.31","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 42 21 2","P 4n 2n","94","","","","- C52 H36 N6 O2 -","- C52 H36 N6 O2 -","- C104 H72 N12 O4 -","2","0.25","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0596","0.0515","","","0.1621","0.1717","","","","","","1.045","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4500059","9.0763","0.0007","14.7937","0.0012","19.3722","0.0014","90","","91.237","0.004","90","","2600.5","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N6 O6 -","- C60 H40 N6 O6 -","- C120 H80 N12 O12 -","2","0.5","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0807","0.0798","","","0.1899","0.1904","","","","","","1.059","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500060","23.572","0.0014","23.572","0.0014","10.2698","0.0013","90","","90","","120","","4941.8","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C66 H72 N12 O9 -","- C66.006 H72.014 N12 O8.988 -","- C198.018 H216.042 N36 O26.964 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0728","0.0633","","","0.1596","0.161","","","","","","1.021","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500061","23.338","0.009","23.338","0.009","10.842","0.009","90","","90","","120","","5114","5","280","2","280","2","","","","","","","Synthesized by the authors. See text","5","R 3 2 :H","R 3 2""","155","","","","- C60 H64 N6 O8 S6 -","- C60 H63.9998 N6 O7.9998 S6 -","- C180 H191.999 N18 O23.9994 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0872","0.0732","","","0.1681","0.1701","","","","","","1.063","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500062","24.165","0.002","24.165","0.002","9.9242","0.0012","90","","90","","120","","5018.8","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C72 H72 N6 O12 -","- C48 H24 N6 -","- C144 H72 N18 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.1516","0.0786","","","0.2455","0.2603","","","","","","1.056","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500063","23.6533","0.0002","23.6533","0.0002","10.1601","0.0002","90","","90","","120","","4922.8","0.11","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","R -3 m :H","-R 3 2""","166","","","","- C78 H81 N9 O6 -","- C78 H93 N12 O6 -","- C234 H279 N36 O18 -","3","0.0833333","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0665","0.0657","","","0.1619","0.1623","","","","","","1.077","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500064","13.12","0.0019","13.12","0.0019","8.881","0.0018","90","","90","","90","","1528.7","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","I -4","I -4","82","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C74 H56 O8 -","2","0.25","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0398","0.036","","","0.0856","0.0873","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500065","19.338","0.01","8.849","0.004","18.388","0.011","90","","90.329","0.018","90","","3147","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C148 H112 O16 -","4","0.5","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0585","0.057","","","0.1465","0.1491","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500066","10.0538","0.0005","25.6951","0.0012","34.3888","0.0017","90","","90","","90","","8883.8","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C61 H44 O4 -","- C61 H44 O4 -","- C488 H352 O32 -","8","1","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0822","0.0511","","","0.1181","0.1269","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500067","13.3774","0.001","18.5479","0.0014","21.6543","0.0015","91.4","0.004","98.717","0.004","98.773","0.004","5242.5","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C132 H110 O9 -","- C133 H102 O8 -","- C266 H204 O16 -","2","1","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.1286","0.0589","","","0.1472","0.1622","","","","","","1.038","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500087","11.859","0.003","12.047","0.004","16.767","0.005","70.009","0.004","74.84","0.004","68.7","0.004","2071.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cl N O5 -","- C21 H28 Cl N O5 -","- C84 H112 Cl4 N4 O20 -","4","2","","Day, James E. H.; Sharp, Swee Y.; Rowlands, Martin G.; Aherne, Wynne; Hayes, Angela; Raynaud, Florence I.; Lewis, William; Roe, S. Mark; Prodromou, Chrisostomos; Pearl, Laurence H.; Workman, Paul; Moody, Christopher J.","Targeting the Hsp90 molecular chaperone with novel macrolactams. Synthesis, structural, binding, and cellular studies.","ACS chemical biology","2011","6","12","1339","1347","10.1021/cb200196e","","","0.71073","MoKα","","0.1475","0.1297","","","0.3166","0.3317","","","","","","1.127","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4504476","11.5539","0.0005","7.5514","0.0003","19.2074","0.0012","90","","90","","90","","1675.81","0.14","120","2","120","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Mn O5 -","- C6 H10 Mn O5 -","- C48 H80 Mn8 O40 -","8","1","","Tan, Jin-Chong; Saines, Paul J.; Bithell, Erica G.; Cheetham, Anthony K.","Hybrid nanosheets of an inorganic-organic framework material: facile synthesis, structure, and elastic properties.","ACS nano","2012","6","1","615","621","10.1021/nn204054k","","x-ray","0.71073","MoKα","","0.0549","0.0393","","","0.13","0.1447","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504477","16.172","0.003","18.456","0.004","9.9","0.002","90","","112.172","0.004","90","","2736.4","1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) cobalt(II) trihydrate","","- C22 H22 Co N6 O15 -","- C22 H16 Co N6 O15 -","- C88 H64 Co4 N24 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0577","0.0513","","","0.1423","0.1468","","","","","","1.076","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504478","16.0967","0.0013","18.4218","0.0015","9.8346","0.0008","90","","111.609","0.001","90","","2711.3","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) nickel(II) trihydrate","","- C22 H22 N6 Ni O15 -","- C22 H16 N6 Ni O15 -","- C88 H64 N24 Ni4 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0536","0.0465","","","0.1177","0.1219","","","","","","1.074","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504479","16.0819","0.0015","18.6487","0.0017","9.8993","0.0009","90","","112.3","0.001","90","","2746.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) copper(II) trihydrate","","- C22 H22 Cu N6 O15 -","- C22 H16 Cu N6 O15 -","- C88 H64 Cu4 N24 O60 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0524","0.0456","","","0.1226","0.1279","","","","","","1.077","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504480","16.2364","0.0012","18.3043","0.0013","9.922","0.0007","90","","111.971","0.001","90","","2734.6","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(imidazolium 2,4,6-tricarboxypyridine) zinc(II) trihydrate","","- C22 H22 N6 O15 Zn -","- C22 H18 N6 O15.246 Zn -","- C88 H72 N24 O60.984 Zn4 -","4","0.5","","Yigit, Mehmet V.; Biyikli, Kasim; Moulton, Brian; MacDonald, John C.","Bis(imidazolium 2,4,6-tricarboxypyridine) Metal(II) Complexes: Molecular Building Blocks that Generate Isomorphous Hydrogen-Bonded Frameworks","Crystal Growth & Design","2006","6","1","63","","10.1021/cg050084t","","","0.71073","MoKα","","0.0441","0.0382","","","0.1057","0.1088","","","","","","1.078","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504481","4.202","0.005","8.122","0.007","9.67","0.008","90","","99.91","0.03","90","","325.1","0.5","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O4 -","- C6 H4 N2 O4 -","- C12 H8 N4 O8 -","2","0.5","","Akutagawa, Tomoyuki; Nakamura, Takayoshi","Crystal and Electronic Structures of Hydrogen-Bonded 2,5-Diamino-3,6-dihydroxy-p-benzoquinone","Crystal Growth & Design","2006","6","1","70","","10.1021/cg050086d","","","0.7107","MoKα","","","0.061","","","","0.207","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504482","4.5858","0.0001","6.5523","0.0007","8.5457","0.0005","98.236","0.006","104.958","0.003","102.926","0.005","236.22","0.03","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl2 N2 O4 -","- C6 H10 Cl2 N2 O4 -","- C6 H10 Cl2 N2 O4 -","1","0.5","","Akutagawa, Tomoyuki; Nakamura, Takayoshi","Crystal and Electronic Structures of Hydrogen-Bonded 2,5-Diamino-3,6-dihydroxy-p-benzoquinone","Crystal Growth & Design","2006","6","1","70","","10.1021/cg050086d","","","0.7107","MoKα","","","0.047","","","","0.057","","","","","","0.552","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504483","5.12","0.001","8.6232","0.0017","8.7958","0.0018","96.93","0.03","100.45","0.03","105.75","0.03","361.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe2 H Na O8 P2 -","- Fe2 H Na O8 P2 -","- Fe4 H2 Na2 O16 P4 -","2","1","","Zhao, Zhi-Feng; Zhou, Bai-Bin; Su, Zhan-Hua; Zhang, Xu; Li, Guang-Hua","Synthesis and Characterization of New Open-Framework Iron(II) Phosphate with 1D Tube and Double Layer Structure, NaFe2(PO4)(HPO4)","Crystal Growth & Design","2006","6","3","632","","10.1021/cg050142a","","","0.71073","MoKα","","0.0393","0.0365","","","0.095","0.0967","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504484","11.834","0.002","11.931","0.002","15.764","0.003","90","","105.39","0.003","90","","2145.9","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 O6 -","- C54 H46 O6 -","- C108 H92 O12 -","2","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.0656","0.0443","","","0.1181","0.1312","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504485","6.9849","0.001","10.1656","0.0015","17.697","0.003","77.32","0.002","82.054","0.002","73.833","0.002","1173.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H52 O6 -","- C60 H52 O6 -","- C60 H52 O6 -","1","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.1348","0.0611","","","0.1437","0.1753","","","","","","0.962","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504486","8.906","0.002","11.926","0.003","11.959","0.003","89.392","0.004","73.078","0.004","89.372","0.004","1215.1","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 Cl4 O6 -","- C56 H50 Cl4 O6 -","- C56 H50 Cl4 O6 -","1","0.5","","Nuñez, Jose E.; Khuong, Tinh-Alfredo V.; Campos, Luis M.; Farfán, Norberto; Dang, Hung; Karlen, Steven D.; Garcia-Garibay, Miguel A.","Crystal Phases and Phase Transitions in a Highly Polymorphogenic Solid-State Molecular Gyroscope withmeta-Methoxytrityl Frames","Crystal Growth & Design","2006","6","4","866","","10.1021/cg050155o","","","0.71073","MoKα","","0.102","0.0593","","","0.1554","0.1773","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504487","8.7673","0.0004","9.8149","0.0004","10.1743","0.0004","113.897","0.003","105.754","0.003","102.104","0.003","717.74","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Gd Na O13 -","- C10 H2 Gd Na O13 -","- C20 H4 Gd2 Na2 O26 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Óscar; Ruíz-Pérez, Catalina; Delgado, Fernando S.; Julve, Miguel; Hernández-Molina, María; Laz, M. Milagros; Lorenzo-Luis, Pablo","Zeolite-like Nanoporous Gadolinium Complexes Incorporating Alkaline Cations","Crystal Growth & Design","2006","6","1","87","","10.1021/cg050170t","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0958","0.1012","","","","","","1.06","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504488","7.119","0.001","8.783","0.002","15.067","0.003","79.61","0.03","87.52","0.03","83.21","0.03","919.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Gd K O15 -","- C10 H2 Gd K O15 -","- C20 H4 Gd2 K2 O30 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Óscar; Ruíz-Pérez, Catalina; Delgado, Fernando S.; Julve, Miguel; Hernández-Molina, María; Laz, M. Milagros; Lorenzo-Luis, Pablo","Zeolite-like Nanoporous Gadolinium Complexes Incorporating Alkaline Cations","Crystal Growth & Design","2006","6","1","87","","10.1021/cg050170t","","x-ray","0.71069","MoKα","","0.032","0.0265","","","0.0649","0.0665","","","","","","1.044","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504489","18.005","0.004","23.732","0.005","23.235","0.005","90","","90.46","0.03","90","","9928","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cr2 Cu3 N21 O3 -","- C48 H39 Cr2 Cu3 N21 O3 -","- C192 H156 Cr8 Cu12 N84 O12 -","4","1","","Liu, Cai-Ming; Gao, Song; Kou, Hui-Zhong; Zhang, De-Qing; Sun, Hao-Ling; Zhu, Dao-Ben","Synthesis, Crystal Structure, and Magnetic Properties of a Three-Dimensional Cyano-Bridged Bimetallic Coordination Polymer with an Aromatic Amine Capping Ligand: [Cu(2,2‘-dpa)]3[Cr(CN)6]2·3H2O (2,2‘-dpa = 2,2‘-Dipicolylamine)","Crystal Growth & Design","2006","6","1","94","","10.1021/cg050186j","","","0.71073","MoKα","","0.2509","0.0889","","","0.2307","0.2851","","","","","","0.822","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504490","10.513","0.011","13.875","0.014","15.776","0.016","70.98","0.02","83.57","0.02","69.665","0.018","2040","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cu N8 O10 -","- C40 H46 Cu N8 O10 -","- C80 H92 Cu2 N16 O20 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2135","0.0801","","","0.1061","0.1394","","","","","","0.949","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504491","12.395","0.003","26.267","0.006","26.362","0.007","90","","92.635","0.005","90","","8574","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H39 Cu N10 O11.5 -","- C36 H28 Cu N10 O11.5 -","- C288 H224 Cu8 N80 O92 -","8","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2879","0.1122","","","0.2531","0.3422","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504492","13.326","0.004","21.715","0.006","26.318","0.008","90","","90","","90","","7616","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O11 -","- C288 H224 Cl16 Cu8 N64 O88 -","8","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2054","0.0791","","","0.1541","0.2049","","","","","","1.028","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504493","12.485","0.005","15.142","0.006","15.19","0.006","83.104","0.007","75.796","0.007","79.584","0.007","2729.3","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H47 Cd Cl2 N12 O10.5 -","- C54 H42 Cd Cl2 N12 O10.5 -","- C108 H84 Cd2 Cl4 N24 O21 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.131","0.0674","","","0.1376","0.1646","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504494","10.791","0.004","13.923","0.007","19.756","0.009","72.297","0.012","78.201","0.014","68.683","0.013","2619","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl4 Cu2 N12 O19 -","- C40 H36 Cl4 Cu2 N12 O19 -","- C80 H72 Cl8 Cu4 N24 O38 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2458","0.1352","","","0.325","0.3906","","","","","","1.049","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504495","18.17","0.007","13.24","0.005","19.064","0.007","90","","90","","90","","4586","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.1259","0.0494","","","0.0816","0.104","","","","","","1.02","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504496","10.1298","0.0006","12.3163","0.0006","12.9485","0.0007","111.533","0.002","106.068","0.002","99.921","0.002","1374.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl2 Cu N8 O8 -","- C26 H20 Cl2 Cu N8 O8 -","- C52 H40 Cl4 Cu2 N16 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.1146","0.0702","","","0.1984","0.2528","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504497","13.818","0.008","16.645","0.008","20.937","0.011","109.508","0.01","107.144","0.009","90.923","0.009","4302","4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H72 B2 F8 N16 Ni2 O16 S -","- C56 H40 B2 F8 N16 Ni2 O16 S -","- C112 H80 B4 F16 N32 Ni4 O32 S2 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2487","0.1125","","","0.2745","0.3636","","","","","","0.98","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504498","32.067","0.012","25.61","0.009","17.498","0.007","90","","115.187","0.006","90","","13004","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H128 Cl10 Cu6 N20 O69 -","- C76 H72 Cl10 Cu6 N20 O69 -","- C304 H288 Cl40 Cu24 N80 O276 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2143","0.0875","","","0.2107","0.2788","","","","","","1.007","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504499","8.2894","0.0007","14.023","0.0012","10.3955","0.0008","90","","90.525","0.002","90","","1208.35","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N2 O7 -","- C12 H8 Mn N2 O7 -","- C48 H32 Mn4 N8 O28 -","4","1","","Tang, Yun-Zhi; Wang, Xi-Sen; Zhou, Ting; Xiong, Ren-Gen","A Novel 2D Manganese(II) Coordination Polymer Exhibiting Ferromagnetic Interaction","Crystal Growth & Design","2006","6","1","11","13","10.1021/cg050222e","","","0.71073","MoKα","","0.0996","0.0625","","","0.132","0.1492","","","","","","0.992","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504500","20.9326","0.0018","20.9326","0.0018","14.6836","0.0017","90","","90","","120","","5572","0.9","91","2","91","2","","","","","","","","4","P -3","-P 3","147","C60.1.5H2F20TPP.6benzene","","","- C162 H51 F30 N6 -","- C162.12 H51 F30 N6 -","- C324.24 H102 F60 N12 -","2","0.333333","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.0663","0.0512","","","0.127","0.1396","","","","","","1.031","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504501","28.7889","0.0013","28.7889","0.0013","12.7959","0.0008","90","","90","","90","","10605.3","0.9","91","2","91","2","","","","","","","","4","I 41/a :2","-I 4ad","88","C70.H2F20TPP.8benzene","","","- C162 H58 F20 N4 -","- C162 H58 F20 N4 -","- C648 H232 F80 N16 -","4","0.25","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.1422","0.0848","","","0.2518","0.2892","","","","","","1.117","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504502","28.3348","0.0019","28.3348","0.0019","12.4941","0.0016","90","","90","","90","","10031","1.6","10","3","10","3","","","","","","","","5","I 41/a :2","-I 4ad","88","C60.NiF20TPP.8benzene","","","- C152 H56 F20 N4 Ni -","- C152 H56 F20 N4 Ni -","- C608 H224 F80 N16 Ni4 -","4","0.25","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.0962","0.0455","","","0.093","0.1196","","","","","","1.003","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504503","24.123","0.004","19.831","0.003","14.441","0.003","90","","90","","90","","6908","2","18","3","18","3","","","","","","","","6","C m c 21","C 2c -2","36","C70.ClFeF20TPP","","","- C114 H8 Cl F20 Fe N4 -","- C114 H8 Cl F20 Fe N4 -","- C456 H32 Cl4 F80 Fe4 N16 -","4","0.5","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.1463","0.0608","","","0.1174","0.1597","","","","","","1.028","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504504","13.738","0.0002","13.738","0.0002","32.7248","0.0001","90","","90","","120","","5348.78","0.11","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C69 H63 Cl2 Cu2 N9 O8 P2 -","- C69 H63 Cl2 Cu2 N9 O7.98 P2 -","- C207 H189 Cl6 Cu6 N27 O23.94 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1468","0.0703","","","0.1457","0.1773","","","","","","0.928","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504505","13.7282","0.0004","13.7282","0.0004","32.7155","0.0012","90","","90","","120","","5339.6","0.3","295","2","295","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C75 H78 Cl2 Cu2 N9 O9.5 P2 -","- C75 H63 Cl2 Cu2 N9 O9.42 P2 -","- C225 H189 Cl6 Cu6 N27 O28.26 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1008","0.0454","","","0.0605","0.0663","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504506","15.511","0.002","15.511","0.002","22.398","0.005","90","","90","","90","","5388.8","1.6","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. dioxane","","- C56 H72 O10 -","- C52 H36 O13.03 -","- C208 H144 O52.12 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2346","0.11","","","0.2997","0.3693","","","","","","1.153","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504507","15.433","0.002","15.433","0.002","22.654","0.005","90","","90","","90","","5395.7","1.5","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. tetrahydrofurane","","- C52 H72 O9 -","- C57 H28 O8 -","- C228 H112 O32 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.1955","0.1158","","","0.3284","0.3789","","","","","","1.321","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504508","15.371","0.003","21.945","0.004","15.966","0.003","90","","90.07","0.03","90","","5385.6","1.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","","","- C70 H94 O9 -","- C62 H70.5 O9 -","- C248 H282 O36 -","4","2","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.9726","-","","0.0907","0.0874","","","0.2301","0.2343","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504509","12.735","0.003","15.736","0.003","15.786","0.003","89.68","0.03","74.78","0.03","83.67","0.03","3033","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","p-octanoyl calix[4]arene. dioxane","","- C64 H88 O10 -","- C59.5 H58 O13.02 -","- C119 H116 O26.04 -","2","1","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2276","0.137","","","0.3832","0.4338","","","","","","1.424","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504510","12.848","0.003","15.72","0.003","15.732","0.003","90.03","0.03","103.59","0.03","97.69","0.03","3059","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","p-octanoyl calix[4]arene. 2(acetone)","","- C66 H92 O10 -","- C61.5 H58 O10 -","- C123 H116 O20 -","2","1","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2101","0.1295","","","0.3631","0.4267","","","","","","1.327","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504511","8.2811","0.0007","8.9677","0.0008","11.3326","0.001","84.957","0.002","85.908","0.002","78.397","0.002","819.95","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0772","0.0583","","","0.1367","0.1474","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504512","10.1552","0.0006","11.6299","0.0007","14.7513","0.0008","85.255","0.001","87.575","0.001","78.655","0.001","1701.69","0.17","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 N4 O7 -","- C39 H36 N4 O7 -","- C78 H72 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0631","0.0546","","","0.1506","0.1593","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504513","9.271","0.003","11.411","0.003","19.019","0.005","94.536","0.007","98.807","0.006","111.515","0.006","1829.7","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O7 -","- C43 H40 N4 O7 -","- C86 H80 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.0787","0.0558","","","0.131","0.1429","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504514","9.365","0.003","10.982","0.004","20.548","0.007","95.303","0.007","100.593","0.007","111.273","0.007","1906.3","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O7 -","- C43 H44 N4 O7 -","- C86 H88 N8 O14 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Pentaphenol Adducts: Formation of 3D Network and Ladder-type Supramolecular Structures in the Solid State","Crystal Growth & Design","2006","6","3","636","","10.1021/cg050250x","","","0.71073","MoKα","","0.1329","0.075","","","0.1629","0.1903","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504515","15.1889","0.0018","7.5002","0.0009","25.839","0.003","90","","90","","90","","2943.6","0.6","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.1234","0.0815","","","0.1619","0.1792","","","","","","1.134","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504516","8.2627","0.0013","10.0415","0.0016","10.3726","0.0017","90.401","0.003","102.338","0.003","96.76","0.004","834.4","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O3 -","- C21 H18 N O3 -","- C42 H36 N2 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0586","0.0433","","","0.1165","0.1228","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504517","7.3954","0.0007","18.4187","0.0018","20.333","0.002","90","","90.785","0.002","90","","2769.4","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N3 O3 -","- C34 H28 N3 O3 -","- C136 H112 N12 O12 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0972","0.0616","","","0.1317","0.1474","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504518","9.1353","0.0005","10.4475","0.0006","12.0967","0.0007","106.018","0.001","105.787","0.001","97.434","0.001","1041.42","0.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N O3.5 -","- C25 H22 N O3.5 -","- C50 H44 N2 O7 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0711","0.0605","","","0.1565","0.1645","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504519","11.3532","0.0007","12.3238","0.0007","13.6984","0.0008","107.633","0.001","102.933","0.001","93.574","0.002","1762.66","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O3 -","- C43 H40 N4 O3 -","- C86 H80 N8 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.0915","0.0607","","","0.1232","0.1354","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504520","11.305","0.003","12.491","0.003","14.381","0.004","100.202","0.006","95.766","0.005","103.474","0.006","1922.2","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N4 O4.5 -","- C47 H40 N4 O4.5 -","- C94 H80 N8 O9 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.1381","0.0593","","","0.1339","0.1615","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504521","10.397","0.005","11.403","0.006","22.459","0.012","90","","101.399","0.009","90","","2610","2","173","2","173","2","","","101.3","","","","","4","C 1 2/c 1","-C 2yc","15","1,2,7-Benzotelluradiazole","1,2,7-Benzotelluradiazole","","- C6 H4 N2 Te -","- C6 H4 N2 Te -","- C96 H64 N32 Te16 -","16","2","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.0687","0.0599","","","0.1672","0.1738","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504522","3.9476","0.0009","19.707","0.004","10.501","0.002","90","","100.755","0.007","90","","802.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,6-Dibromo-1,2,7-Benzotelluradiazole","3,6-Dibromo-1,2,7-Benzotelluradiazole","","- C6 H2 Br2 N2 Te -","- C6 H2 Br2 N2 Te -","- C24 H8 Br8 N8 Te4 -","4","1","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.0568","0.0432","","","0.0913","0.0954","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504523","6.9047","0.0016","8.4309","0.0019","11.932","0.003","100.118","0.007","104.354","0.007","109.822","0.007","606.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H8 Br2 N2 O S Te -","- C8 H8 Br2 N2 O S Te -","- C16 H16 Br4 N4 O2 S2 Te2 -","2","1","","Cozzolino, Anthony F.; Britten, James F.; Vargas-Baca, Ignacio","The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions","Crystal Growth & Design","2006","6","1","181","","10.1021/cg050260y","","x-ray","0.71073","MoKα","","0.1134","0.0506","","","0.1028","0.1242","","","","","","0.957","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504524","30.9099","0.0001","28.3481","0.0002","17.4843","0.0003","90","","99.36","0.03","90","","15116.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(1,7-diaza-15-crown-5 + 2H+)1.5?[(H2O)3[Eu(H2O)7Eu(H2O)6(p-sulfonatocalix[4]arene)2](p-sulfonatocalix[4]arene) Eu(H2O)8]?20.75H2O","","","- C99 H187.5 Eu3 N3 O98.25 S12 -","- C99 H84 Eu3 N2.5 O98.68 S12 -","- C396 H336 Eu12 N10 O394.72 S48 -","4","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.1276","0.0922","","","0.2363","0.2618","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504525","19.923","0.0001","21.0935","0.0002","24.7992","0.0002","86.455","0.0003","83.0468","0.0003","80.664","0.001","10198.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(Nd(H2O)9)2][((1,7-diaza-12-crown-4 + 2H+)?p-sulfonatocalix[4]arene)4 + 2H+]?33H2O","","","- C144 H262 N8 Nd2 O123 S16 -","- C144 H160 N8 Nd2 O123 S16 -","- C288 H320 N16 Nd4 O246 S32 -","2","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.1282","0.0866","","","0.2209","0.246","","","","","","1.344","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504526","11.362","0.0004","19.902","0.0006","30.3716","0.0012","90","","96.627","0.002","90","","6821.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[(1,7-diaza-15-crown-5 + 2H)?p-sulfonatocalix[5]-arene][Eu(H2O)9]]2.11.75H2O","","","- C45 H90.5 Eu N2 O43.75 S5 -","- C45 H49 Eu N2 O43.75 S5 -","- C180 H196 Eu4 N8 O175 S20 -","4","1","","Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation","Crystal Growth & Design","2006","6","1","174","","10.1021/cg050261q","","","0.71073","MoKα","","0.0965","0.0728","","","0.1901","0.2162","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504527","17.438","0.005","11.626","0.005","17.477","0.005","90","","104.66","0.05","90","","3428","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O8 Zn -","- C36 H44 N4 O8 Zn -","- C144 H176 N16 O32 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Water Clusters Gather Luminescent Zinc(II) Complexes around Hydrogen-Bonded Framework Structures and Associated Fluorescence Modulation","Crystal Growth & Design","2006","6","1","187","","10.1021/cg050263a","","","0.71069","MoKα","","0.1398","0.0833","","","0.2047","0.2333","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504528","12.904","0.005","14.885","0.005","16.565","0.005","90","0.005","106.161","0.005","90","0.005","3056","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Water Clusters Gather Luminescent Zinc(II) Complexes around Hydrogen-Bonded Framework Structures and Associated Fluorescence Modulation","Crystal Growth & Design","2006","6","1","187","","10.1021/cg050263a","","","0.71069","MoKα","","0.1002","0.0695","","","0.2","0.2203","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504529","10.1724","0.0002","10.4722","0.0002","13.8239","0.0003","87.577","0.001","80.213","0.001","63.244","0.001","1294.83","0.05","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H19 N3 O9 -","- C30.5 H15 N3 O9 -","- C61 H30 N6 O18 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.1396","0.0844","","","0.2343","0.2816","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504530","9.9282","0.0002","10.6462","0.0003","13.6124","0.0004","89.671","0.002","81.83","0.001","62.808","0.001","1263.93","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N3 O9.5 S0.5 -","- C28 H17 N3 O9.5 S0.5 -","- C56 H34 N6 O19 S -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.1333","0.0785","","","0.1972","0.2382","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504531","10.1533","0.0002","10.4483","0.0002","13.7561","0.0003","88.771","0.001","81.733","0.001","64.578","0.001","1302.99","0.05","146","2","146","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17.5 N3.5 O10 -","- C31.5 H17.5 N3 O10 -","- C63 H35 N6 O20 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.0997","0.0746","","","0.2118","0.2323","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504532","6.565","0.0002","12.9681","0.0003","13.3554","0.0003","89.03","0.001","87.706","0.001","86.816","0.001","1134.23","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H15 N3 O9 -","- C27 H15 N3 O9 -","- C54 H30 N6 O18 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Lattice Inclusion Complexes Prepared from 1,3,5-Tris(3-nitrobenzoyl)benzene","Crystal Growth & Design","2006","6","1","193","","10.1021/cg050270z","","","0.71073","MoKα","","0.0707","0.0455","","","0.1029","0.1123","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504533","11.8528","0.0009","13.3368","0.001","13.4568","0.001","76.142","0.001","64.772","0.001","68.521","0.001","1781.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 Cd2 Mo8 N10 O32 -","- C42 H66 Cd2 Mo8 N10 O32 -","- C42 H66 Cd2 Mo8 N10 O32 -","1","0.5","","Liao, Ju-Hsiou; Juang, Jung-Shian; Lai, Yu-Chun","Supermolecular Architecture of a Polypseudo-rotaxane: [Cd(BPE)(α-Mo8O26)][Cd(BPE)(DMF)4]·2DMF (BPE = 1,2-Bis(4-pyridyl)ethane, DMF =N,N-Dimethylformamide)","Crystal Growth & Design","2006","6","2","354","","10.1021/cg050283c","","","0.71073","MoKα","","0.0623","0.0443","","","0.0878","0.094","","","","","","1.061","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504534","6.864","0.003","7.2851","0.0017","11.239","0.004","92.26","0.03","106.75","0.02","111.31","0.02","494.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C26 H22 N4 -","1","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0623","0.0418","","","0.1039","0.1166","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504535","14.631","0.004","14.195","0.004","12.559","0.003","90","","99.43","0.02","90","","2573.1","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O6 Zn -","- C26 H22 N6 O6 Zn -","- C104 H88 N24 O24 Zn4 -","4","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0736","0.0494","","","0.1214","0.1382","","","","","","1.05","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504536","27.965","0.003","19.221","0.002","16.016","0.002","90","","123.124","0.008","90","","7209.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 Co N8 O6 -","- C39 H33 Co N8 O6 -","- C312 H264 Co8 N64 O48 -","8","1","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.0863","0.0489","","","0.11","0.1289","","","","","","1.022","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504537","24.346","0.006","16.164","0.004","16.745","0.005","90","","128.103","0.016","90","","5185","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Co N10 O6 -","- C59 H51 Co N10 O6 -","- C236 H204 Co4 N40 O24 -","4","0.5","","Cho, Bo-Yeun; Min, Dongwon; Lee, Soon W.","A Long 3,3‘-Bipyridine-Type Linking Ligand and Its Coordination Polymers: [ZnL(NO3)2], [CoL1.5(NO3)2], and [CoL2(NO3)2]·X (L = py-CHN−(CH3)C6H3−C6H3(CH3)−NCH-py); X = Benzene, Toluene)","Crystal Growth & Design","2006","6","1","342","","10.1021/cg0502845","","","0.71073","MoKα","","0.1484","0.0701","","","0.156","0.1964","","","","","","1.012","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504538","4.266","0.0009","15.07","0.003","10.262","0.002","90","","100.73","0.03","90","","648.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0828","0.0423","","","0.0878","0.1169","","","","","","1.172","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504539","26.519","0.005","5.637","0.0011","10.084","0.002","90","","101.36","0.03","90","","1477.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0769","0.0459","","","0.1107","0.1501","","","","","","0.994","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504540","5.102","0.001","5.279","0.0011","30.784","0.006","90","","91.04","0.03","90","","829","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0798","0.0408","","","0.082","0.117","","","","","","1.143","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504541","5.113","0.001","5.323","0.0011","33.792","0.007","90","","92.36","0.03","90","","918.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0611","0.0408","","","0.1043","0.1291","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504542","29.146","0.006","5.424","0.0011","9.852","0.002","90","","99.29","0.03","90","","1537.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0825","0.0451","","","0.1004","0.134","","","","","","1.142","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504543","5.223","0.001","5.099","0.001","31.065","0.006","90","","95.19","0.03","90","","823.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.7093","MoKα","","0.1769","0.0683","","","0.1276","0.1807","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504544","5.242","0.001","5.102","0.001","34.127","0.007","90","","90.73","0.03","90","","912.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.1055","0.0505","","","0.1121","0.154","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504545","5.194","0.001","6.926","0.0014","11.034","0.002","94.82","0.03","102","0.03","107.64","0.03","365.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","1","0.5","","Sarkar, Madhushree; Biradha, Kumar","Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes","Crystal Growth & Design","2006","6","1","202","","10.1021/cg050292l","","","0.71073","MoKα","","0.0451","0.035","","","0.0906","0.1014","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504546","10.174","0.005","12.353","0.005","14.723","0.005","102.609","0.005","107.015","0.005","103.53","0.005","1636.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Ag2 N8 O8 S -","- C27 H35 Ag2 N8 O8 S -","- C54 H70 Ag4 N16 O16 S2 -","2","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71069","MoKα","","0.0548","0.036","","","0.0807","0.0886","","","","","","0.93","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504547","14.125","0.005","15.722","0.006","8.51","0.003","90","","90","","90","","1889.8","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H20 Ag N5 O3 S -","- C16 H20 Ag N5 O3 S -","- C64 H80 Ag4 N20 O12 S4 -","4","0.5","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.0616","0.0455","","","0.1116","0.1211","","","","","","1.042","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504548","9.725","0.003","10.165","0.003","10.444","0.003","98.447","0.004","94.94","0.005","92.882","0.004","1015.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Ag N2 O5 S -","- C18 H21 Ag N2 O5 S -","- C36 H42 Ag2 N4 O10 S2 -","2","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.061","0.0374","","","0.0795","0.0874","","","","","","0.893","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504549","25.227","0.003","11.4304","0.0013","18.886","0.002","90","","125.869","0.002","90","","4413.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Ag3 N6 O14 S2 -","- C42 H45 Ag3 N6 O14 S2 -","- C168 H180 Ag12 N24 O56 S8 -","4","0.5","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Jia, Heng-Qing; Hu, Ning-Hai","Syntheses, Structures, and Characterizations of Four New Silver(I) Sulfonate Coordination Polymers with Neutral Ligands","Crystal Growth & Design","2006","6","1","209","","10.1021/cg050293d","","","0.71073","MoKα","","0.047","0.0332","","","0.0726","0.0785","","","","","","0.943","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504550","7.023","0.004","7.092","0.004","8.304","0.005","74.409","0.011","68.551","0.01","76.846","0.01","366.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Cl2 N Pd0.5 -","- C6 H6 Cl2 N Pd0.5 -","- C12 H12 Cl4 N2 Pd -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0543","0.0472","","","0.1243","0.1469","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504551","7.0209","0.0016","9.28","0.002","11.633","0.003","85.922","0.004","83.343","0.004","76.84","0.004","732.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl4 N3 O Pt -","- C11 H10 Cl4 N3 O Pt -","- C22 H20 Cl8 N6 O2 Pt2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0526","0.0387","","","0.1006","0.1097","","","","","","1.058","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504552","7.091","0.003","8.158","0.004","13.722","0.007","102.422","0.008","95.689","0.009","106.505","0.009","732.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl4 N3 O Pd -","- C11 H11 Cl4 N3 O Pd -","- C22 H22 Cl8 N6 O2 Pd2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.1008","0.0627","","","0.1717","0.2403","","","","","","1.13","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504553","14.8984","0.0013","7.025","0.0006","15.941","0.0014","90","","110.899","0.001","90","","1558.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl4 N4 O Pt -","- C11 H12 Cl4 N4 O Pt -","- C44 H48 Cl16 N16 O4 Pt4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0165","0.0155","","","0.0401","0.0408","","","","","","1.117","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504554","17.171","0.002","7.8632","0.001","12.3623","0.0016","90","","109.443","0.002","90","","1574","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl4 N4 O Pd -","- C11 H12 Cl4 N4 O Pd -","- C44 H48 Cl16 N16 O4 Pd4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0206","0.0199","","","0.0557","0.0563","","","","","","1.199","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504555","10.6238","0.0009","11.1901","0.0009","12.9218","0.001","90","","97.598","0.001","90","","1522.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl4 N3 O Pt -","- C11 H11 Cl4 N3 O Pt -","- C44 H44 Cl16 N12 O4 Pt4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0267","0.0259","","","0.0692","0.0699","","","","","","1.065","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504556","24.1657","0.0015","7.9739","0.0005","15.2874","0.001","90","","92.695","0.001","90","","2942.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cl4 N3 O Pd -","- C11 H11 Cl4 N3 O Pd -","- C88 H88 Cl32 N24 O8 Pd8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0375","0.0339","","","0.087","0.0893","","","","","","1.095","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504557","27.37","0.009","6.884","0.002","15.483","0.005","90","","90","","90","","2917.2","1.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cl4 N3 O Pt -","- C11 H11 Cl4 N3 O Pt -","- C88 H88 Cl32 N24 O8 Pt8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.049","0.0417","","","0.1052","0.1091","","","","","","1.239","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504558","6.7425","0.0009","8.1137","0.0011","16.254","0.002","102.913","0.002","90.129","0.002","106.973","0.002","826.79","0.19","278","2","278","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Cl4 N4 O2 Pt -","- C11 H12 Cl4 N4 O2 Pt -","- C22 H24 Cl8 N8 O4 Pt2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.0263","0.0239","","","0.067","0.0686","","","","","","1.089","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504559","13.216","0.0009","8.1166","0.0008","14.0262","0.0009","90","","106.236","0.004","90","","1444.6","0.2","293","2","293","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","","Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi","Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing","Crystal Growth & Design","2006","6","1","229","","10.1021/cg050302i","","","0.71073","MoKα","","0.0367","0.0298","","","0.0474","0.0484","","","","","","1.035","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504560","8.0925","0.0016","9.17","0.0018","10.819","0.002","89.1","0.03","86.28","0.03","64.01","0.03","720.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cl3 Co N4 -","- C10 H12 Cl3 Co N4 -","- C20 H24 Cl6 Co2 N8 -","2","1","","Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi","Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing","Crystal Growth & Design","2006","6","1","229","","10.1021/cg050302i","","","0.71073","MoKα","","0.0558","0.0439","","","0.1328","0.1436","","","","","","1.019","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504561","18.0542","0.0009","18.0542","0.0009","9.6549","0.0009","90","","90","","90","","3147.1","0.4","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H27 I N4 -","- C10 H27 I N4 -","- C80 H216 I8 N32 -","8","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0496","0.0328","","","0.0735","0.0825","","","","","","1.005","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504562","8.861","0.0019","26.644","0.006","13.442","0.003","90","","100.85","0.003","90","","3116.8","1.2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N4 S -","- C11 H24 N4 S -","- C88 H192 N32 S8 -","8","2","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.1098","0.0695","","","0.1802","0.2083","","","","","","1.023","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504563","8.731","0.003","9.906","0.003","11.485","0.003","74.633","0.003","82.483","0.004","82.632","0.004","945","0.5","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 I3 N3 -","- C10 H24 I3 N3 -","- C20 H48 I6 N6 -","2","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0532","0.0391","","","0.1069","0.1219","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504564","8.231","0.002","18.798","0.006","11.582","0.004","90","","92.43","0.04","90","","1790.4","0.9","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 I N3 -","- C15 H26 I N3 -","- C60 H104 I4 N12 -","4","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.1183","0.0532","","","0.0801","0.093","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504565","8.8864","0.0019","10.103","0.002","13.598","0.003","79.331","0.003","78.375","0.003","64.249","0.003","1070.4","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 I3 N3 -","- C15 H26 I3 N3 -","- C30 H52 I6 N6 -","2","1","","Said, Farouq F.; Bazinet, Patrick; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.","Hydrogen Bonding Motifs ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Cations with Spherical and Rodlike Monoanions: Syntheses and Structures of I-, I3-, and SCN-Salts","Crystal Growth & Design","2006","6","1","258","","10.1021/cg050303a","","","0.71073","MoKα","","0.0699","0.0402","","","0.0831","0.094","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504566","7.9","0.006","5.429","0.004","26.8","0.02","90","","90","","90","","1149.4","1.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Glaser, Rainer; Knotts, Nathan; Wu, Zhengyu; Barnes, Charles L.","Dipole Parallel-Alignment in the Crystal Structure of a Polar Biphenyl: 4'-Acetyl-4-Methoxybiphenyl (AMB).","Crystal growth & design","2006","6","1","235","240","10.1021/cg050316o","","","0.71073","MoKα","","0.1062","0.0464","","","0.1121","0.1447","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504567","7.309","0.002","15.18","0.003","27.115","0.004","90","","90","","90","","3008.4","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","246-DMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","0.5","","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network inE,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","Crystal Growth & Design","2006","6","1","241","","10.1021/cg050317g","","","0.71073","MoKα","","0.1403","0.0457","","","0.0996","0.1307","","","","","","0.93","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504568","12.79","0.005","12.802","0.005","14.324","0.006","110.687","0.007","111.86","0.006","97.688","0.007","1939","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H108 O18 Sn6 -","- C78 H108 O18 Sn6 -","- C78 H108 O18 Sn6 -","1","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0523","0.0446","","","0.1093","0.1205","","","","","","1.046","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504569","16.11","0.0017","11.2664","0.0012","22.842","0.003","90","","99.925","0.002","90","","4083.8","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H100 Cl4 O18 Sn6 -","- C74 H100 Cl4 O18 Sn6 -","- C148 H200 Cl8 O36 Sn12 -","2","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.084","0.0479","","","0.1016","0.1146","","","","","","0.989","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504570","10.839","0.002","14.138","0.002","14.616","0.003","93","0.02","105.18","0.02","100.58","0.02","2112.9","0.7","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 N10 O18 Sn6 -","- C74 H102 N10 O18 Sn6 -","- C74 H102 N10 O18 Sn6 -","1","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0312","0.0268","","","0.0691","0.0709","","","","","","1.051","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504571","32.336","0.003","32.336","0.003","15.235","0.002","90","","90","","90","","15930","3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C67 H91 Cl3 N6 O18 Sn6 -","- C67 H91 Cl3 N6 O18 Sn6 -","- C536 H728 Cl24 N48 O144 Sn48 -","8","0.5","","Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano","Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums","Crystal Growth & Design","2006","6","1","267","","10.1021/cg050323c","","","0.71073","MoKα","","0.0664","0.0433","","","0.1123","0.1254","","","","","","1.009","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504572","12.55","0.003","10.257","0.002","18.015","0.004","90","","109.09","0.03","90","","2191.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cd3 N0 O20 -","- C12 H22 Cd3 O20 -","- C48 H88 Cd12 O80 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0264","0.0206","","","0.0462","0.0477","","","","","","1.004","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504573","6.0984","0.0007","15.2922","0.0017","9.786","0.0011","90","","102.774","0.002","90","","890.03","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cd3 O16 -","- C12 H14 Cd3 O16 -","- C24 H28 Cd6 O32 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.024","0.0215","","","0.0493","0.0499","","","","","","1.222","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504574","6.1705","0.0012","14.546","0.003","9.5595","0.0019","90","","102.63","0.03","90","","837.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O16 Zn3 -","- C12 H14 O16 Zn3 -","- C24 H28 O32 Zn6 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0262","0.0232","","","0.0604","0.0616","","","","","","1.07","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504575","6.9285","0.001","9.7619","0.0014","14.537","0.002","90","","91.377","0.002","90","","982.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu2 O9 -","- C6 H8 Cu2 O9 -","- C24 H32 Cu8 O36 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0424","0.0361","","","0.083","0.0868","","","","","","1.042","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504576","5.916","0.0009","10.4229","0.0015","13.453","0.002","90","","90","","90","","829.5","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0321","0.0269","","","0.0605","0.0628","","","","","","1.07","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504577","10.634","0.002","11.958","0.002","19.734","0.004","90","","90","","90","","2509.4","0.8","170","1","170","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 O7.25 -","- C27 H28 N2 O7.15 -","- C108 H112 N8 O28.6 -","4","1","","Kalisiak, Jarosław; Jurczak, Janusz","Asymmetric Crystallization of an Achiral Lariat-type Macrocyclic Compound","Crystal Growth & Design","2006","6","1","20","","10.1021/cg050325x","","","0.71073","MoKα","","0.0918","0.0509","","","0.1314","0.1515","","","","","","0.87","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504578","10.64","0.002","10.691","0.002","14.494","0.003","103.37","0.03","99.88","0.03","115.51","0.03","1376.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 Ce2 I Mo6 N5 O47 -","- C24 H20 Ce2 I Mo6 N5 O47 -","- C24 H20 Ce2 I Mo6 N5 O47 -","1","0.5","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0311","0.0287","","","0.0932","0.0949","","","","","","1.018","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504579","10.544","0.002","10.677","0.002","14.528","0.003","103.72","0.03","99.96","0.03","115.21","0.03","1365.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 I La2 Mo6 N5 O47 -","- C24 H20 I La2 Mo6 N5 O47 -","- C24 H20 I La2 Mo6 N5 O47 -","1","0.5","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0426","0.0352","","","0.0917","0.0954","","","","","","1.027","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504580","6.2052","0.0012","14.185","0.003","15.077","0.003","90.68","0.03","90.08","0.03","93.82","0.03","1324","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag3 Cr H20 Mo6 O31 -","- Ag3 Cr Mo6 O31 -","- Ag6 Cr2 Mo12 O62 -","2","1","","An, Haiyan; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Sun, Chunyan","Self-Assembly of Extended High-Dimensional Architectures from Anderson-type Polyoxometalate Clusters","Crystal Growth & Design","2006","6","5","1107","","10.1021/cg050326p","","","0.71073","MoKα","","0.0915","0.063","","","0.1615","0.1809","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504581","14.0965","0.0012","16.353","0.0014","10.438","0.0009","90","","95.569","0.002","90","","2394.8","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd F5 N4 Nb O -","- C20 H20 Cd F5 N4 Nb O -","- C80 H80 Cd4 F20 N16 Nb4 O4 -","4","1","","Guillory, Paulette C. R.; Kirsch, Janet E.; Izumi, Heather K.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Evidence for Nonpolar Alignment of [NbOF5]2-Anions in Cd(pyridine)4NbOF5Chains","Crystal Growth & Design","2006","6","2","382","","10.1021/cg050331t","","","0.71073","MoKα","","0.0668","0.0396","","","0.0922","0.1002","","","","","","1.003","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504582","13.3524","0.0019","12.1332","0.0017","16.359","0.002","90","","91.376","0.002","90","","2649.5","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H44 Cd2 N12 O4 -","- C62 H44 Cd2 N12 O4 -","- C124 H88 Cd4 N24 O8 -","2","0.5","","Liu, Chun-Sen; Shi, Xue-Song; Li, Jian-Rong; Wang, Jun-Jie; Bu, Xian-He","Cd(II) Coordination Architectures with Mixed Ligands of 3-(2-Pyridyl)pyrazole and Pendant Carboxylate Ligands Bearing Different Aromatic Skeletons: Syntheses, Crystal Structures, and Emission Properties","Crystal Growth & Design","2006","6","3","656","","10.1021/cg050336q","","","0.71073","MoKα","","0.0506","0.029","","","0.061","0.0664","","","","","","1.014","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504583","16.2344","0.0002","16.2344","0.0002","12.2612","0.0002","90","","90","","90","","3231.51","0.08","356","2","356","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C104 H10 F20 N4 -","- C104 H10 F20 N4 -","- C208 H20 F40 N8 -","2","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0682","0.0527","","","0.1431","0.1553","","","","","","1.085","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504584","7.1644","0.0001","24.8612","0.0004","16.7746","0.0003","90","0.001","107.401","0.001","90","0.001","2851.08","0.08","87","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C136 H60 F40 N8 -","- C136 H60 F40 N8 -","- C136 H60 F40 N8 -","1","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.096","0.0713","","","0.1872","0.2026","","","","","","1.035","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504585","28.7056","0.0003","28.7056","0.0003","12.3929","0.0001","90","","90","","90","","10211.9","0.17","87","","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C152 H56 F20 N4 -","- C152 H56 F20 N4 -","- C608 H224 F80 N16 -","4","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.1717","0.0742","","","0.1178","0.1474","","","","","","1.053","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504586","20.9965","0.0004","20.9965","0.0004","14.7377","0.0006","90","","90","","120","","5626.7","0.3","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C168 H63 F30 N6 -","- C167.4 H63 F30 N6 -","- C334.8 H126 F60 N12 -","2","0.333333","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0811","0.0611","","","0.1694","0.1895","","","","","","1.075","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504587","7.1584","0.0014","8.164","0.0016","9.3954","0.0019","90","","102.97","0.03","90","","535.07","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-1,2,4-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C8 H20 Cl4 N16 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0599","0.0404","","","0.0831","0.0888","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504588","9.3559","0.0019","4.9432","0.001","12.182","0.002","90","","97.76","0.03","90","","558.23","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-aminoimidazole hydrochloride","","","- C3 H6 Cl N3 -","- C3 H6 Cl N3 -","- C12 H24 Cl4 N12 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0686","0.0465","","","0.0963","0.1042","","","","","","1.097","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504589","5.099","0.001","7.2298","0.0014","15.042","0.003","90","","96.52","0.03","90","","550.93","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-amino-1,2,4-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C8 H20 Cl4 N16 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0795","0.0536","","","0.1201","0.1311","","","","","","1.105","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504590","5.5395","0.0012","13.402","0.003","7.715","0.001","90","0.005","90","0.005","90","0.005","572.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3-diamino-1,2,3-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71069","MoKα","","0.0804","0.0544","","","0.0898","0.0968","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504591","5.6109","0.0005","6.778","0.0009","16.3497","0.0005","90","","90","","90","","621.79","0.1","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4-diamino-1,2,4-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.027","0.0242","","","0.0612","0.063","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504592","4.6613","0.0002","16.2967","0.0004","7.8232","0.0005","90","","98.524","0.003","90","","587.72","0.05","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-diaminoimidazolium chloride","","","- C3 H7 Cl N4 -","- C3 H7 Cl N4 -","- C12 H28 Cl4 N16 -","4","0.5","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.0253","0.0242","","","0.0607","0.0619","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504593","5.0579","0.0003","7.0018","0.0003","7.647","0.0005","90","","91.716","0.003","90","","270.69","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-amino-1,2,3-triazole hydrochloride","","","- C2 H5 Cl N4 -","- C2 H5 Cl N4 -","- C4 H10 Cl2 N8 -","2","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.021","0.0203","","","0.0527","0.0532","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504594","6.6548","0.0014","11.695","0.002","8.146","0.003","90","","91.32","0.003","90","","633.8","0.3","173","2","173","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Cl4 N2 Pt -","- C10 H10 Cl4 N2 Pt -","- C20 H20 Cl8 N4 Pt2 -","2","0.25","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0289","0.0289","","","0.0657","0.0657","","","","","","1.083","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504595","6.811","0.0014","7.7102","0.0018","7.83","0.0016","96.32","0.02","110.098","0.016","105.81","0.013","361.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 Pt -","- C12 H12 Cl4 N2 Pt -","- C12 H12 Cl4 N2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0242","0.0242","","","0.06","0.06","","","","","","1.068","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504596","7.0701","0.0011","7.5429","0.0012","8.0694","0.0012","95.4","0.002","112.432","0.002","107.745","0.002","367.87","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl4 N2 Pt -","- C12 H14 Cl4 N2 Pt -","- C12 H14 Cl4 N2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0201","0.0201","","","0.0459","0.0459","","","","","","1.031","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504597","5.9922","0.0011","10.766","0.003","11.601","0.002","90","","95.545","0.012","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 N2 Pt -","- C10 H22 Cl4 N2 Pt -","- C20 H44 Cl8 N4 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0216","0.0176","","","0.0461","0.0476","","","","","","1.115","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504598","12.0729","0.0024","8.6976","0.0028","10.151","0.0025","90","","90","","90","","1065.9","0.5","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C4 H12 Cl4 N2 Pt -","- C4 H12 Cl4 N2 Pt -","- C16 H48 Cl16 N8 Pt4 -","4","","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0206","0.016","","","0.0384","0.0389","","","","","","0.994","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504599","6.9551","0.0013","8.5188","0.0012","8.9795","0.001","86.462","0.013","73.017","0.009","66.472","0.01","465.61","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.019","0.019","","","0.0426","0.0426","","","","","","0.988","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504600","7.1544","0.0014","7.5492","0.0015","8.2906","0.0017","90.43","0.03","114.88","0.03","92.75","0.03","405.56","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl4 N2 O4 Pt -","- C12 H10 Cl4 N2 O4 Pt -","- C12 H10 Cl4 N2 O4 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0195","0.0195","","","0.0463","0.0463","","","","","","1.044","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504601","6.8888","0.0013","7.7068","0.0018","8.2032","0.0015","88.779","0.015","72.911","0.019","89.466","0.019","416.19","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0179","0.0179","","","0.0472","0.0472","","","","","","1.049","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504602","6.9952","0.0031","7.3278","0.0018","8.6578","0.0051","71.87","0.0459","88.967","0.0413","87.604","0.0444","421.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0202","0.0202","","","0.0462","0.0462","","","","","","1.027","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504603","13.2401","0.0011","7.4465","0.0006","9.8181","0.0008","90","","104.52","0.002","90","","937.07","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl4 N2 O4 Pt -","- C12 H22 Cl4 N2 O4 Pt -","- C24 H44 Cl8 N4 O8 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0514","0.0407","","","0.112","0.1133","","","","","","0.924","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504604","13.2172","0.0018","7.2479","0.0008","9.7083","0.002","90","","97.416","0.017","90","","922.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl4 N2 O4 Pt -","- C12 H24 Cl4 N2 O4 Pt -","- C24 H48 Cl8 N4 O8 Pt2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0213","0.0172","","","0.0404","0.041","","","","","","0.962","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504605","7.0204","0.0019","7.4522","0.0014","15.213","0.0055","90","","90","","90","","795.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C24 H48 Cl4 N4 O8 -","4","1","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0477","0.0338","","","0.0729","0.0775","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504606","12.936","0.0013","7.045","0.0007","14.8136","0.0016","90","","92.112","0.002","90","","1349.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O4 -","- C12 H12 Cl2 N2 O4 -","- C48 H48 Cl8 N8 O16 -","4","1","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0599","0.0407","","","0.1126","0.1189","","","","","","0.93","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504607","6.9948","0.0012","7.0324","0.0012","8.2883","0.0014","69.202","0.003","74.361","0.003","77.599","0.003","363.8","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 Pd -","- C12 H12 Cl4 N2 Pd -","- C12 H12 Cl4 N2 Pd -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0304","0.0253","","","0.0555","0.0565","","","","","","0.962","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504608","5.9658","0.0012","10.7111","0.0017","11.6778","0.0031","90","","95.736","0.017","90","","742.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0242","0.0212","","","0.0558","0.0571","","","","","","1.063","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504609","10.265","0.0009","7.5468","0.0007","9.9279","0.0009","90","","101.147","0.002","90","","754.58","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0199","0.0178","","","0.0425","0.0428","","","","","","0.951","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504610","11.166","0.002","7.3022","0.0015","9.531","0.002","90","","91.885","0.004","90","","776.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 N2 Pd -","- C10 H22 Cl4 N2 Pd -","- C20 H44 Cl8 N4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0322","0.0284","","","0.0752","0.0776","","","","","","1.062","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504611","8.5472","0.001","7.0726","0.0008","10.9161","0.0012","90","","111.502","0.002","90","","613.96","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl4 N2 O2 Pd -","- C4 H16 Cl4 N2 O2 Pd -","- C8 H32 Cl8 N4 O4 Pd2 -","2","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0189","0.0171","","","0.0439","0.0447","","","","","","1.051","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504612","6.9942","0.0017","8.5052","0.0017","8.9252","0.0012","85.754","0.018","73.059","0.023","66.135","0.014","463.89","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 O6 Pd -","- C12 H16 Cl4 N2 O6 Pd -","- C12 H16 Cl4 N2 O6 Pd -","1","0.5","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0247","0.0223","","","0.0575","0.0587","","","","","","1.074","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504613","14.787","0.004","14.787","0.004","31.231","0.011","90","","90","","120","","5914","3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C4 H5 Ni O4.33 -","- C4 H5 Ni O4.33333 -","- C144 H180 Ni36 O156 -","36","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.71073","MoKα","","0.0493","0.0436","","","0.1037","0.1063","","","","","","1.176","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504614","20.0967","0.001","9.9992","0.0005","6.3722","0.0004","90","","97.086","0.003","90","","1270.72","0.12","243","2","243","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 H5 Ni0.75 O4.5 -","- C4 H5 Ni0.75 O4.5 -","- C32 H40 Ni6 O36 -","8","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.7107","MoKα","","0.0413","0.0408","","","0.1154","0.116","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504615","4.9139","0.0011","6.2914","0.0015","9.589","0.002","79.652","0.009","78.857","0.011","77.044","0.009","280.56","0.11","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 Ni0.5 O4 -","- C4 H9 Ni0.5 O4 -","- C8 H18 Ni O8 -","2","1","","Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu","Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products","Crystal Growth & Design","2006","6","3","664","","10.1021/cg050363g","","","0.7107","MoKα","","0.031","0.031","","","0.0895","0.0895","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504616","12.7461","0.0004","14.0896","0.0005","23.8855","0.0009","90","","95.721","0.001","90","","4268.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dibromobis(6,7-dicyanodipyridoquinoxaline)(benzene-1,3-dicarboxylate-2,4-carboxylic acid)dicopper(II) methanol solvate","","- C43.7 H22.8 Br2 Cu2 N12 O9.7 -","- C43.7 H22.8 Br2 Cu2 N12 O9.7 -","- C174.8 H91.2 Br8 Cu8 N48 O38.8 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0949","0.0666","","","0.1667","0.1888","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504617","7.2358","0.0014","13.838","0.003","16.15","0.003","90","","99.127","0.009","90","","1596.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(6,7-dicyanodipyridoquinoxaline)copper(II)","","- C16 H6 Br2 Cu N6 -","- C16 H6 Br2 Cu N6 -","- C64 H24 Br8 Cu4 N24 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0912","0.0481","","","0.105","0.1221","","","","","","0.995","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504618","20.006","0.004","13.969","0.003","21.922","0.004","90","","110.71","0.03","90","","5731","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(6,7-dicyanodipyridoquinoxaline)nickel(II) bromide hydrate","","- C48 H24 Br2 N18 Ni O3 -","- C48 H18 Br2 N18 Ni O3 -","- C192 H72 Br8 N72 Ni4 O12 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.1348","0.1186","","","0.3419","0.369","","","","","","1.503","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504619","8.4282","0.0002","12.8044","0.0002","27.6508","0.0006","90","","97.939","0.001","90","","2955.42","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(6,7-dicyanodipyridoquinoxaline)cobalt(II) bromide","","- C32 H12 Br2 Co N12 -","- C32 H12 Br2 Co N12 -","- C128 H48 Br8 Co4 N48 -","4","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0716","0.0428","","","0.1001","0.1299","","","","","","1.091","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504620","22.9779","0.0003","11.8038","0.0002","24.2001","0.0003","90","","96.12","","90","","6526.3","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dibromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromide hydrate acetonitrile solvate","","- C66 H31 Br4 Cu2 N25 O2 -","- C66 H27 Br4 Cu2 N25 O2 -","- C264 H108 Br16 Cu8 N100 O8 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.112","0.0792","","","0.2177","0.249","","","","","","1.07","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504621","9.112","0.0001","19.807","0.0003","18.39","0.0004","90","","105.99","0.001","90","","3190.64","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(6,7-dicyanodipyridoquinoxaline)silver(I) triflate","","- C33 H12 Ag F3 N12 O3 S -","- C33 H12 Ag F3 N12 O3 S -","- C132 H48 Ag4 F12 N48 O12 S4 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions","Crystal Growth & Design","2006","6","2","423","","10.1021/cg050366t","","","0.71073","MoKα","","0.0605","0.0419","","","0.1161","0.1313","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504622","10.2233","0.0007","11.4655","0.0008","12.3312","0.0008","93.43","0.01","96.67","0.01","95.08","0.01","1426.39","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cd N O14 -","- C27 H34 Cd N O14 -","- C54 H68 Cd2 N2 O28 -","2","1","","Neogi, Subhadip; Bharadwaj, Parimal K.","Metal−Organic Framework Structures of Cd(II) Built with Two Closely Related Podands That Are Further Stabilized by Water Clusters","Crystal Growth & Design","2006","6","2","433","","10.1021/cg0503752","","","0.71073","MoKα","","0.0778","0.0741","","","0.1636","0.1675","","","","","","1.322","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504623","16.7519","0.0013","18.5679","0.0014","21.6105","0.0016","90","","107.36","0.1","90","","6416","4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 Cd2 N2 O34 -","- C54 H80 Cd2 N2 O34 -","- C216 H320 Cd8 N8 O136 -","4","1","","Neogi, Subhadip; Bharadwaj, Parimal K.","Metal−Organic Framework Structures of Cd(II) Built with Two Closely Related Podands That Are Further Stabilized by Water Clusters","Crystal Growth & Design","2006","6","2","433","","10.1021/cg0503752","","","0.71073","MoKα","","0.0378","0.0339","","","0.0861","0.0883","","","","","","1.04","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504624","10.556","0.002","10.704","0.002","13.184","0.003","103.5","0.03","108.82","0.03","100.97","0.03","1312.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N2 O14 -","- C26 H28 Co N2 O14 -","- C52 H56 Co2 N4 O28 -","2","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo","Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds","Crystal Growth & Design","2006","6","2","439","","10.1021/cg050376u","","","0.71073","MoKα","","0.0741","0.0475","","","0.1083","0.1194","","","","","","1.052","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504625","19.92","0.004","11.256","0.002","15.487","0.003","90","","94.77","0.03","90","","3460.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N2 Ni O9 -","- C15 H19 N2 Ni O9 -","- C120 H152 N16 Ni8 O72 -","8","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo","Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds","Crystal Growth & Design","2006","6","2","439","","10.1021/cg050376u","","","0.71073","MoKα","","0.0662","0.0546","","","0.1318","0.138","","","","","","1.098","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504626","12.236","0.008","6.2011","0.0018","14.155","0.005","90","","111.19","0.04","90","","1001.4","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 N4 O12 Zn -","- C15 H14 N4 O12 Zn -","- C30 H28 N8 O24 Zn2 -","2","0.5","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0453","0.0413","","","0.1124","0.1281","","","","","","1.038","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504627","13.5979","0.0015","8.1208","0.0005","18.1611","0.0019","90","","111.895","0.005","90","","1860.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cd N4 O11 -","- C15 H16 Cd N4 O11 -","- C60 H64 Cd4 N16 O44 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.021","0.0197","","","0.0503","0.0511","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504628","18.6008","0.0011","62.936","0.004","7.5918","0.0005","90","","90","","90","","8887.4","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H24 N4 O13 Zn -","- C17 H18 N4 O13 Zn -","- C272 H288 N64 O208 Zn16 -","16","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0509","0.047","","","0.1229","0.1263","","","","","","1.048","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504629","15.721","0.004","4.7898","0.0011","31.371","0.007","90","","90.439","0.003","90","","2362.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cd N4 O14 -","- C17 H18 Cd N4 O14 -","- C68 H72 Cd4 N16 O56 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0424","0.0398","","","0.1037","0.1057","","","","","","1.053","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504630","17.353","0.005","7.0076","0.0019","21.571","0.006","90","","95.87","0.004","90","","2609.3","1.3","130.15","","130.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O15 Zn -","- C20 H16 N4 O14.999 Zn1.00265 -","- C80 H64 N16 O59.996 Zn4.0106 -","4","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0936","0.0683","","","0.1742","0.1921","","","","","","1.009","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504631","11.855","0.002","12.3","0.003","21.329","0.004","79.08","0.03","80.31","0.03","86.55","0.03","3008.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H86 Mo6 N4 O19 -","- C46 H86 Mo6 N4 O19 -","- C92 H172 Mo12 N8 O38 -","2","1","","Xia, Yun; Wu, Pingfan; Wei, Yongge; Wang, Yuan; Guo, Hongyou","Synthesis, Crystal Structure, and Optical Properties of a Polyoxometalate-Based Inorganic−Organic Hybrid Solid, (n-Bu4N)2[Mo6O17(≡NAr)2] (Ar =o-CH3OC6H4)","Crystal Growth & Design","2006","6","1","253","","10.1021/cg0503797","","","0.71073","MoKα","","0.0505","0.0369","","","0.0853","0.092","","","","","","1.012","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504632","10.1","0.002","13.663","0.003","14.611","0.003","90","","91","0.03","90","","2016","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium,8-dimethylaminonaphthalene violurate methanol solvate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.71073","MoKα","","0.0618","0.0385","","","0.086","0.0967","","","","","","1.03","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504633","11.793","0.002","14.279","0.002","15.905","0.004","105.711","0.004","105.035","0.004","104.019","0.003","2345.1","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-dimethylammonium,8-dimethylaminonaphthalene cyanurate cyanuric acid dihydrate","","- C20 H28 N8 O8 -","- C20 H28 N8 O8 -","- C80 H112 N32 O32 -","4","2","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.6751","synchrotron","","0.1381","0.0578","","","0.1228","0.1564","","","","","","0.94","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504634","11.441","0.0013","24.191","0.003","27.218","0.003","90","","91.367","0.0016","90","","7531","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium,8-dimethylaminonaphthalene barbiturate methanol trisolvate","","- C75 H100 N16 O15 -","- C75 H100 N16 O15 -","- C300 H400 N64 O60 -","4","1","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.6751","synchrotron","","0.0772","0.0578","","","0.1444","0.1558","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504635","25.641","0.007","11.581","0.002","27.303","0.008","90","","106.598","0.016","90","","7770","3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-dimethylammonium,8-dimethylaminonaphthalene ororate","","- C19 H22 N4 O4 -","- C19 H22 N4 O4 -","- C304 H352 N64 O64 -","16","8","","Nichol, Gary S.; Clegg, William","The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1","Crystal Growth & Design","2006","6","2","451","","10.1021/cg0503806","","","0.71073","MoKα","","0.1023","0.0802","","","0.209","0.2212","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504636","9.3582","0.0019","10.953","0.002","24.37","0.005","90","","90","","90","","2497.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co N O6 -","- C9 H7 Co N O6 -","- C72 H56 Co8 N8 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0595","0.0454","","","0.1347","0.1396","","","","","","0.994","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504637","13.104","0.003","9.3549","0.0019","10.883","0.002","90","","113.08","0.03","90","","1227.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N Ni O6 -","- C9 H7 N Ni O6 -","- C36 H28 N4 Ni4 O24 -","4","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0779","0.0631","","","0.215","0.2261","","","","","","1.053","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504638","9.3525","0.0019","10.917","0.002","24.175","0.005","90","","90","","90","","2468.3","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H10 Co0.3 N Ni0.7 O6 -","- C9 H7 Co0.3 N Ni0.7 O6 -","- C72 H56 Co2.4 N8 Ni5.6 O48 -","8","1","","Duan, Li-Mei; Xie, Feng-Tong; Chen, Xiao-Yan; Chen, Yan; Lu, Yu-Kun; Cheng, Peng; Xu, Ji-Qing","Syntheses, Structures, and Magnetic Properties of Three Novel Metal−Malate−Bipyridine Coordination Polymers with Layered and Pillared Topology","Crystal Growth & Design","2006","6","5","1101","","10.1021/cg050382q","","","0.71073","MoKα","","0.0712","0.0566","","","0.1521","0.1587","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504639","14.3139","0.001","14.3139","0.001","14.6728","0.0016","90","","90","","120","","2603.5","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H18 Co3 O18 -","- C12 H18 Co3 O18 -","- C72 H108 Co18 O108 -","6","0.333333","","Wang, Jing; Zheng, Ling-Ling; Li, Cui-Jin; Zheng, Yan-Zhen; Tong, Ming-Liang","Coexistence of Planar and Chair-Shaped Cyclic Water Hexamers in a Unique Cyclohexanehexacarboxylate-Bridged Metal−Organic Framework","Crystal Growth & Design","2006","6","2","357","","10.1021/cg050388f","","","0.71073","MoKα","","0.0341","0.0309","","","0.0776","0.0782","","","","","","1.101","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504640","4.8875","0.0005","8.4817","0.0008","11.4723","0.0011","110.375","0.002","91","0.002","96.451","0.002","442.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[N-(2-pyridyl) acetamide]2, fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0474","0.0438","","","0.1237","0.1275","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504641","9.1172","0.0008","9.2969","0.0008","10.643","0.0009","90","","92.694","0.002","90","","901.12","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[N-(2-pyridyl)acetamide]2, succinic acid","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0475","0.0447","","","0.1217","0.1249","","","","","","1.134","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504642","7.2671","0.0011","34.592","0.005","8.602","0.0012","90","","114.553","0.002","90","","1966.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[N-(2-pyridyl)acetamide]2, pentanedioic acid","","- C19 H24 N4 O6 -","- C19 H24 N4 O6 -","- C76 H96 N16 O24 -","4","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0918","0.086","","","0.2723","0.2925","","","","","","2.342","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504643","14.3348","0.0006","16.1008","0.0007","18.8047","0.0012","90","","90.002","0.001","90","","4340.2","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[N-(2-pyridyl)acetamide]2, heptanedioic acid","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C168 H224 N32 O48 -","8","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0572","0.0509","","","0.1322","0.1368","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504644","13.566","0.002","9.2129","0.0015","17.641","0.003","90","","101.162","0.002","90","","2163.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[N-(2-pyridyl)acetamide]2, octanedioic acid","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C88 H120 N16 O24 -","4","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0615","0.0544","","","0.1404","0.147","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504645","16.563","0.003","8.5279","0.0012","18.464","0.003","90","","114.909","0.009","90","","2365.4","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[N-(2-pyridyl)acetamide]2, nonanedioic acid","","- C23 H32 N4 O6 -","- C23 H32 N4 O6 -","- C92 H128 N16 O24 -","4","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.1483","0.0732","","","0.1516","0.1912","","","","","","0.897","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504646","5.3767","0.0004","6.5416","0.0004","17.0662","0.0012","92.809","0.001","90.247","0.001","101.314","0.001","587.82","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[N-(2-pyridyl)acetamide]2, decanedioic acid","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0524","0.0466","","","0.1276","0.1328","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504647","19.5362","0.0014","9.3631","0.0007","12.7665","0.001","90","","113.382","0.004","90","","2143.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(3-pyridyl)acetamide, 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C88 H84 N20 O32 -","4","0.5","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0774","0.0619","","","0.1586","0.1773","","","","","","1.143","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504648","11.368","0.002","12.223","0.002","14.362","0.003","95.16","0.03","103.38","0.03","100.6","0.03","1889.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Sm2 -","- C36 H24 N6 O16 Sm2 -","- C72 H48 N12 O32 Sm4 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0419","0.0268","","","0.0673","0.0738","","","","","","1.021","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504649","11.378","0.002","12.208","0.002","14.342","0.003","95.01","0.03","103.48","0.03","100.86","0.03","1884.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Eu2 N6 O16 -","- C36 H23 Eu2 N6 O16 -","- C72 H46 Eu4 N12 O32 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0437","0.0325","","","0.0869","0.0933","","","","","","1.044","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504650","11.3645","0.0013","12.193","0.0008","14.271","0.002","95.031","0.011","103.576","0.012","101.06","0.008","1868.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O16 Tb2 -","- C36 H24 N6 O16 Tb2 -","- C72 H48 N12 O32 Tb4 -","2","1","","Wu, Jing-Yun; Yeh, Tzu-Tang; Wen, Yuh-Sheng; Twu, Jen; Lu, Kuang-Lieh","Unusual Robust Luminescent Porous Frameworks Self-Assembled from Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate","Crystal Growth & Design","2006","6","2","467","","10.1021/cg050393j","","","0.71073","MoKα","","0.0415","0.0342","","","0.09","0.095","","","","","","1.05","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504651","25.4695","0.0014","20.8784","0.0012","9.6872","0.0005","90","","90","","90","","5151.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate - 18-Crown-6 - Hydrate","","- C21 H41 N O13 -","- C21 H41 N O13 -","- C168 H328 N8 O104 -","8","2","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0468","0.0431","","","0.0981","0.1001","","","","","","1.116","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504652","16.3863","0.0015","17.7514","0.0016","9.1467","0.0009","90","","101.239","0.002","90","","2609.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate - 18-Crown-6","","- C21 H39 N O13 -","- C21 H39 N O13 -","- C84 H156 N4 O52 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0586","0.0464","","","0.1126","0.12","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504653","16.5374","0.0008","16.5374","0.0008","11.583","0.0011","90","","90","","120","","2743.4","0.3","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 18-crown-6","","- C2.5 H4 O1.5 -","- C2.5 H4 O1.5 -","- C90 H144 O54 -","36","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0858","0.054","","","0.1245","0.1413","","","","","","1.035","","","","has coordinates","211127","2020-10-21","18:00:00",""
"4504654","11.149","0.0009","9.5914","0.0008","8.5221","0.0007","90","","108.139","0.001","90","","866.02","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine 2,2,2-trifluoroethanol","","- C6 H7 F4 N3 O2 -","- C6 H7 F4 N3 O2 -","- C24 H28 F16 N12 O8 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0404","0.0378","","","0.0946","0.0965","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504655","7.3871","0.0006","9.394","0.0008","17.5787","0.0015","90","","98.608","0.002","90","","1206.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine monohydrate","","- C4 H6 F N3 O2 -","- C4 H6 F N3 O2 -","- C32 H48 F8 N24 O16 -","8","2","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.059","0.0456","","","0.1112","0.1201","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504656","6.6387","0.0004","6.6387","0.0004","23.471","0.003","90","","90","","90","","1034.42","0.16","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","5-fluorocytosine Form I","","- C4 H4 F N3 O -","- C4 H4 F N3 O -","- C32 H32 F8 N24 O8 -","8","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.034","0.0334","","","0.0854","0.086","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504657","4.1026","0.0005","8.2731","0.001","9.9191","0.0012","110.036","0.002","100.46","0.002","96.71","0.002","305.14","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-fluorocytosine monohydrate II","","- C4 H6 F N3 O2 -","- C4 H6 F N3 O2 -","- C8 H12 F2 N6 O4 -","2","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0389","0.0368","","","0.1073","0.1096","","","","","","1.056","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504658","4.0629","0.0004","9.5211","0.0009","12.7386","0.0012","90","","92.986","0.002","90","","492.1","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-fluorocytosine Form II","","- C4 H4 F N3 O -","- C4 H4 F N3 O -","- C16 H16 F4 N12 O4 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0357","0.0341","","","0.1083","0.1108","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504659","12.2384","0.0008","9.4254","0.0006","13.8727","0.0009","90","","111.391","0.001","90","","1490.01","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-fluorocytosine hemipentahydrate","","- C4 H9 F N3 O3.5 -","- C4 H9 F N3 O3.5 -","- C32 H72 F8 N24 O28 -","8","2","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0462","0.0443","","","0.1301","0.1316","","","","","","1.13","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504660","8.4486","0.0009","9.2898","0.001","16.1042","0.0018","90","","97.371","0.002","90","","1253.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-fluorocytosine methanol solvate 2/1","","- C9 H12 F2 N6 O3 -","- C9 H12 F2 N6 O3 -","- C36 H48 F8 N24 O12 -","4","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.0949","0.0656","","","0.1464","0.1621","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504661","10.0048","0.0008","10.4951","0.0008","10.6453","0.0008","93.816","0.001","107.843","0.001","93.688","0.001","1057.42","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Triaquabis{pyridine-2,6-dicarboxylato}cerium(IV)tertahydrate","","- C14 H20 Ce N2 O15 -","- C14 H20 Ce N2 O15 -","- C28 H40 Ce2 N4 O30 -","2","1","","Prasad, T. K.; Rajasekharan, M. V.","A Novel Water Octamer in Ce(dipic)2(H2O)3·4H2O: Crystallographic, Thermal, and Theoretical Studies","Crystal Growth & Design","2006","6","2","488","","10.1021/cg050417m","","","0.71073","MoKα","","0.0175","0.0173","","","0.048","0.0481","","","","","","1.241","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504662","15.1129","0.0015","12.4966","0.0011","16.848","0.0016","90","","90","","90","","3181.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cd N2 O6 -","- C15 H14 Cd N2 O6 -","- C120 H112 Cd8 N16 O48 -","8","1","","Liao, Ju-Hsiou; Wu, Pei-Chi; Huang, Wei-Chia","Ionic Liquid as Solvent for the Synthesis and Crystallization of a Coordination Polymer: (EMI)[Cd(BTC)] (EMI = 1-Ethyl-3-methylimidazolium, BTC = 1,3,5-Benzenetricarboxylate)","Crystal Growth & Design","2006","6","5","1062","","10.1021/cg0504197","","","0.71073","MoKα","","0.0933","0.0715","","","0.13","0.1373","","","","","","1.21","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504663","14.493","0.005","16.245","0.006","13.644","0.003","107.19","0.02","90.52","0.03","101.71","0.03","2996.8","1.7","293","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Au O3 P S2 -","- C30 H32 Au O3 P S2 -","- C120 H128 Au4 O12 P4 S8 -","4","2","","Yun, Sock-Sung; Kim, Jae-Kyung; Jung, Jae-Sun; Park, Changmoon; Kang, Jun-Gill; Smyth, Douglas R.; Tiekink, Edward R. T.","Pseudo-polymorphism in the Tri(o-tolyl)phosphinegold(I) 2-Mercaptobenzoates: Crystallographic, Thermal Decomposition, and Luminescence Studies","Crystal Growth & Design","2006","6","4","899","","10.1021/cg0504206","","","0.71069","MoKα","","0.134","0.04","","","0.103","0.133","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504664","25.2307","0.0019","17.8084","0.0013","7.5488","0.0005","90","","97.929","0.002","90","","3359.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H74 Cl4 Cu4 N8 O22 -","- C54 H74 Cl4 Cu4 N8 O22 -","- C108 H148 Cl8 Cu8 N16 O44 -","2","0.25","","Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Hydrogen-Bonded Assembly of Water and Chloride in a 3D Supramolecular Host","Crystal Growth & Design","2006","6","1","36","","10.1021/cg050423i","","","0.71073","MoKα","","0.1503","0.0562","","","0.1636","0.185","","","","","","0.883","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504665","8.7339","0.0011","12.202","0.002","20.083","0.003","90","","90.886","0.015","90","","2140","0.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.0475","0.0415","","","0.0914","0.0943","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504666","13.361","0.005","13.967","0.006","12.022","0.005","90","","102.75","0.08","90","","2188.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.1355","0.0706","","","0.1516","0.1791","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504667","7.0504","0.0008","35.688","0.005","8.7657","0.0012","90","","90","","90","","2205.6","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.0426","0.0388","","","0.0996","0.1046","","","","","","1.114","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504668","23.602","0.005","11.601","0.002","23.545","0.005","90","","109.05","0.03","90","","6094","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H39 O56.25 S Si Sm2.5 W11 -","- C2 H4 O56.25 S Si Sm2.5 W11 -","- C8 H16 O225 S4 Si4 Sm10 W44 -","4","1","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.0865","0.0609","","","0.1238","0.1322","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504669","23.537","0.005","11.516","0.002","23.418","0.005","90","","109.17","0.03","90","","5996","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H41 Dy2.5 Ge O56.75 S W11 -","- C2 H4 Dy2.5 Ge O56.75 S W11 -","- C8 H16 Dy10 Ge4 O227 S4 W44 -","4","1","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.0717","0.0477","","","0.095","0.1017","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504670","12.894","0.003","13.193","0.003","20.591","0.004","108.09","0.03","90.69","0.03","107.79","0.03","3148.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H53 N2 O99 Si2 Sm5 W22 -","- C6 H14 N2 O99 Si2 Sm5 W22 -","- C6 H14 N2 O99 Si2 Sm5 W22 -","1","0.5","","Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang","Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates","Crystal Growth & Design","2006","6","2","507","","10.1021/cg050433j","","","0.71073","MoKα","","0.1031","0.0798","","","0.164","0.1782","","","","","","1.023","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504671","9.2868","0.0004","10.3422","0.0004","13.2609","0.0005","86.8385","0.0015","72.35","0.002","78.4268","0.0015","1189","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Co2 N14 O4 S4 -","- C38 H46 Co2 N14 O4 S4 -","- C38 H46 Co2 N14 O4 S4 -","1","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.109","0.0416","","","0.0899","0.0989","","","","","","0.908","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504672","15.721","0.001","15.828","0.001","15.414","0.001","90","","90","","90","","3835.5","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H40 Co N10 O6 S2 -","- C30 H18 Co N10 O6 S2 -","- C120 H72 Co4 N40 O24 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1484","0.095","","","0.2958","0.3308","","","","","","1.101","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504673","13.7195","0.0008","13.6998","0.0008","18.1247","0.0011","77.634","0.003","77.225","0.003","63.562","0.003","2948.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Co2 N18 O2 S4 -","- C55 H51 Co2 N17 O2 S4 -","- C110 H102 Co4 N34 O4 S8 -","2","1","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1513","0.0719","","","0.1441","0.1781","","","","","","1.024","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504674","16.604","0.001","14.532","0.001","16.097","0.001","90","","90","","90","","3884","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H21 Co N7 S2 -","- C26 H20 Co N7 S2 -","- C104 H80 Co4 N28 S8 -","4","0.5","","Shin, Dong Mok; Lee, In Su; Chung, Young Keun","Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality","Crystal Growth & Design","2006","6","5","1059","","10.1021/cg0504399","","","0.71073","MoKα","","0.1757","0.0898","","","0.2749","0.3358","","","","","","1.034","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504675","33.585","0.002","33.585","0.002","33.585","0.002","90","","90","","90","","37882","4","293","2","293","2","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","","3,3,5,5-Tetrakis(3-pyridyl)bimesityl","","- C38 H34 N4 -","- C38 H34 N4 -","- C1824 H1632 N192 -","48","0.25","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.197","0.066","","","0.1401","0.1776","","","","","","1.01","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504676","21.967","0.005","6.41","0.005","21.964","0.005","90","0.005","110.648","0.005","90","0.005","2894","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3,5,5-Tetrakis(4-pyridyl)bimesityl","","- C38 H34 N4 -","- C38 H34 N4 -","- C152 H136 N16 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71069","MoKα","","0.0843","0.0762","","","0.1963","0.2022","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504677","16.829","0.003","16.829","0.003","13.423","0.005","90","","90","","90","","3801.6","1.7","273","2","273","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","3,35,5-Tetrakis(4-cyanophenyl)bimesityl","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.1695","0.0772","","","0.1754","0.2128","","","","","","1.011","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504678","9.1282","0.0013","9.4522","0.0013","11.859","0.0017","69.745","0.002","73.071","0.002","89.067","0.002","914.3","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 Co N4 O14 -","- C30 H50 Co N4 O14 -","- C30 H50 Co N4 O14 -","1","0.5","","Luan, Xinjun; Chu, Yichun; Wang, Yaoyu; Li, Dongsheng; Liu, Ping; Shi, Qizhen","Formation of Two-Dimensional Supramolecular Water Layer Containing (H2O)18Morphology via Dianion Templating","Crystal Growth & Design","2006","6","4","812","","10.1021/cg0504509","","","0.71073","MoKα","","0.037","0.0339","","","0.0975","0.0991","","","","","","1.097","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504679","7.9633","0.0005","10.3757","0.0006","13.1054","0.0008","90","","105.673","0.001","90","","1042.57","0.11","123","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C48 H32 Cu4 N20 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.0348","0.0298","","","0.0761","0.0785","","","","","","1.05","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504680","9.4278","0.0005","24.7779","0.0014","10.6761","0.0006","90","","113.025","0.001","90","","2295.3","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.027","0.0259","","","0.0616","0.062","","","","","","1.013","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504681","9.2065","0.0008","25.574","0.002","6.8104","0.0006","90","","90.256","0.002","90","","1603.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cu N6 O4 -","- C12 H19 Cu N6 O4 -","- C48 H76 Cu4 N24 O16 -","4","1","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","From One- to Three-Dimensional Architectures: Supramolecular Isomerism of Copper(I) 3,5-Di(4-pyridyl)-1,2,4-triazolate Involving in Situ Ligand Synthesis","Crystal Growth & Design","2006","6","2","519","","10.1021/cg050453l","","","0.71073","MoKα","","0.0468","0.0419","","","0.0995","0.1011","","","","","","1.013","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504682","13.289","0.003","14.121","0.003","14.326","0.003","71.29","0.03","88.96","0.03","77.91","0.03","2486.3","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","- C80 H62 Cu6 Mo12 N16 O44 P V2 -","1","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","One- and Two-Dimensional Coordination Polymers Constructed from Bicapped Keggin Mixed Molybdenum−Vanadium Heteropolyoxoanions and Polynuclear Copper(I) Clusters Bridged by Asymmetrical Bipyridine (2,4‘-bipy and 2,3‘-bipy) Ligands","Crystal Growth & Design","2006","6","2","524","","10.1021/cg0504556","","","0.71073","MoKα","","0.1148","0.0642","","","0.1881","0.2009","","","","","","0.969","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504683","12.945","0.003","13.05","0.003","15.374","0.003","103.3","0.03","103.91","0.03","112.39","0.03","2176.1","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","- C60 H48 Cu5 Mo8 N12 O44.5 P V6 -","1","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","One- and Two-Dimensional Coordination Polymers Constructed from Bicapped Keggin Mixed Molybdenum−Vanadium Heteropolyoxoanions and Polynuclear Copper(I) Clusters Bridged by Asymmetrical Bipyridine (2,4‘-bipy and 2,3‘-bipy) Ligands","Crystal Growth & Design","2006","6","2","524","","10.1021/cg0504556","","","0.71073","MoKα","","0.1013","0.0555","","","0.1438","0.1654","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504684","13.579","0.003","23.032","0.005","9.889","0.002","90","","109.662","0.004","90","","2912.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cd2 N14 O10 -","- C56 H52 Cd2 N14 O10 -","- C112 H104 Cd4 N28 O20 -","2","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0605","0.0395","","","0.072","0.0752","","","","","","1.019","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504685","10.349","0.002","10.903","0.002","13.952","0.003","68.669","0.004","79.582","0.004","82.797","0.004","1439.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd2 N6 O9 -","- C28 H22 Cd2 N6 O9 -","- C56 H44 Cd4 N12 O18 -","2","1","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0308","0.0276","","","0.0749","0.0766","","","","","","1.005","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504686","10.08","0.002","13.063","0.003","17.815","0.004","79.029","0.004","86.325","0.004","78.211","0.004","2253.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H78 Cd3 N16 O22 S -","- C72 H78 Cd3 N16 O22 S -","- C72 H78 Cd3 N16 O22 S -","1","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.0727","0.0444","","","0.0727","0.0754","","","","","","1.048","","","","has coordinates,has disorder","179581","2020-10-21","18:00:00",""
"4504687","14.003","0.003","19.84","0.004","18.633","0.004","90","","96.932","0.004","90","","5138.8","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N12 O10 S Zn2 -","- C50 H50 N12 O10 S Zn2 -","- C200 H200 N48 O40 S4 Zn8 -","4","0.5","","Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin","Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2006","6","2","530","","10.1021/cg050458i","","","0.71073","MoKα","","0.088","0.0552","","","0.1099","0.1163","","","","","","1.031","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504688","13.284","0.002","14.76","0.003","16.701","0.003","81.455","0.003","68.819","0.003","66.35","0.003","2796.9","0.9","173","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Ag3 Mo12 N6 O40 P -","- C30 H24 Ag3 Mo12 N6 O40 P -","- C60 H48 Ag6 Mo24 N12 O80 P2 -","2","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.044","0.0393","","","0.0875","0.09","","","","","","1.112","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504689","23.166","0.004","14.01","0.003","20.958","0.004","90","","107.466","0.003","90","","6488","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Ag4 N8 O40 Si W12 -","- C40 H32 Ag4 N8 O40 Si W12 -","- C160 H128 Ag16 N32 O160 Si4 W48 -","4","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.1244","0.1138","","","0.2414","0.2481","","","","","","1.161","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504690","11.4489","0.0017","12.2137","0.0019","13.357","0.002","105.404","0.002","100.976","0.002","104.254","0.002","1678.6","0.4","123","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Ag3 N8 O40 P W12 -","- C40 H32 Ag3 N8 O40 P W12 -","- C40 H32 Ag3 N8 O40 P W12 -","1","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0642","0.0582","","","0.1463","0.1513","","","","","","1.065","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504691","23.475","0.003","13.771","0.0019","20.951","0.003","90","","107.882","0.002","90","","6445.7","1.5","123","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu4 N8 O40 Si W12 -","- C40 H32 Cu4 N8 O40 Si W12 -","- C160 H128 Cu16 N32 O160 Si4 W48 -","4","1","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0749","0.0608","","","0.126","0.1326","","","","","","1.125","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504692","11.2758","0.0019","12.141","0.002","13.492","0.002","106.211","0.003","101.978","0.003","102.46","0.003","1659.7","0.5","123","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu3 N8 O40 P W12 -","- C40 H32 Cu3 N8 O40 P W12 -","- C40 H32 Cu3 N8 O40 P W12 -","1","0.5","","Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Dependent Assembly of Cyclic Structure","Crystal Growth & Design","2006","6","2","572","","10.1021/cg050459a","","","0.71073","MoKα","","0.0569","0.0499","","","0.1247","0.1295","","","","","","1.057","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504693","11.075","0.003","11.472","0.003","17.059","0.004","90","","95.439","0.005","90","","2157.6","1","14","4","14","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1283","0.0708","","","0.1943","0.2628","","","","","","1.13","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504694","11.0106","0.0015","11.4439","0.0016","16.947","0.002","90","","95.347","0.003","90","","2126.1","0.5","90","5","90","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.077","0.0574","","","0.1686","0.1906","","","","","","1.116","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504695","11.0793","0.0012","11.4698","0.0013","17.067","0.002","90","","95.433","0.002","90","","2159.1","0.4","243","1","243","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.0796","0.0551","","","0.1754","0.1918","","","","","","1.127","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504696","11.0797","0.0018","11.4656","0.0018","17.07","0.003","90","","95.461","0.004","90","","2158.7","0.6","258","1","258","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.0818","0.0558","","","0.1744","0.1876","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504697","11.0965","0.0012","11.48","0.0012","17.0839","0.0018","90","","95.448","0.002","90","","2166.5","0.4","280","2","280","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1402","0.0758","","","0.2044","0.2754","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504698","11.0993","0.0014","11.4765","0.0015","17.089","0.002","90","","95.486","0.003","90","","2166.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(imdiazole)tetrakis(N-saccharinato) tetrakis(N,O-saccharinato)biscopper(II)","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","","Naumov, Panče; Jovanovski, Gligor; Sakurai, Kenji","Thermally Induced Saccharinate Ligand Flips Close to Ambient Temperature","Crystal Growth & Design","2006","6","4","815","","10.1021/cg050468j","","","0.71073","MoKα","","0.1255","0.0614","","","0.1673","0.2128","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504699","7.6749","0.0008","7.9808","0.0008","9.888","0.001","95.491","0.002","105.737","0.002","114.892","0.002","513.3","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N8 O8 Zn -","- C16 H20 N8 O8 Zn -","- C16 H20 N8 O8 Zn -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0361","0.0333","","","0.0795","0.0811","","","","","","1.066","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504700","7.7751","0.0018","7.9949","0.0018","9.853","0.002","95.115","0.003","104.819","0.003","114.478","0.002","525.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cd N8 O8 W0 -","- C16 H20 Cd N8 O8 -","- C16 H20 Cd N8 O8 -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0438","0.0414","","","0.0901","0.0918","","","","","","1.033","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504701","14.837","0.002","7.4105","0.0012","21.939","0.004","90","","90.597","0.002","90","","2412.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 N8 O10 Zn -","- C17 H30 N8 O10 Zn -","- C68 H120 N32 O40 Zn4 -","4","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.045","0.0382","","","0.0882","0.0914","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504702","15.0996","0.0018","7.4915","0.0009","21.943","0.003","90","","91.05","0.002","90","","2481.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 Cd N8 O10 -","- C17 H30 Cd N8 O10 -","- C68 H120 Cd4 N32 O40 -","4","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0275","0.0259","","","0.0648","0.0659","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504703","6.405","0.0007","18.0946","0.0019","10.2268","0.001","90","","100.503","0.002","90","","1165.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N8 O10 Zn -","- C16 H28 N8 O10 Zn -","- C32 H56 N16 O20 Zn2 -","2","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0355","0.0317","","","0.0821","0.0842","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504704","7.645","0.0008","7.9146","0.0008","9.9039","0.001","95.08","0.002","95.424","0.002","112.68","0.002","545.32","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd N8 O8 -","- C16 H24 Cd N8 O8 -","- C16 H24 Cd N8 O8 -","1","0.5","","Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray","Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole","Crystal Growth & Design","2006","6","3","701","","10.1021/cg050473n","","","0.71073","MoKα","","0.0313","0.0306","","","0.0732","0.0737","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504705","7.4772","0.0015","9.6304","0.0019","11.9893","0.0002","85.751","0.011","86.099","0.011","81.753","0.011","850.6","0.2","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","3-acetylcoumarin","3-acetyl-2H-1-benzopyran-2-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","2","","Munshi, Parthapratim; Guru Row, Tayur N.","Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-Acetylcoumarin, A Case of Packing Polymorphism","Crystal Growth & Design","2006","6","3","708","","10.1021/cg050484g","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","","0.0192","","","","","","1.9597","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504706","11.3068","0.0007","3.9871","0.0002","18.7586","0.0011","90","","90.454","0.002","90","","845.64","0.08","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetylcoumarin","3-acetyl-2H-1-benzopyran-2-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Munshi, Parthapratim; Guru Row, Tayur N.","Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-Acetylcoumarin, A Case of Packing Polymorphism","Crystal Growth & Design","2006","6","3","708","","10.1021/cg050484g","","x-ray","0.71073","MoKα","","0.0209","0.0209","","","","0.0186","","","","","","2.0716","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504707","28.4485","0.0015","28.4485","0.0015","9.9871","0.0007","90","","90","","120","","6999.9","0.7","125","2","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrogall[6]arene*12 DMSO Clathrate","Ethylpyrogall[6]arene*12 DMSO Clathrate","","- C13 H22 O5 S2 -","- C13 H22 O5 S2 -","- C234 H396 O90 S36 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0426","0.0365","","","0.0977","0.103","","","","","","1.026","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504708","24.691","0.002","24.691","0.002","10.2849","0.0013","90","","90","","120","","5430.1","0.9","125","1","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","","- C11.04 H15.67 O3.94 S0.79 -","- C11.2941 H16.0084 O4.0014 S0.7101 -","- C203.294 H288.151 O72.0252 S12.7818 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0815","0.0461","","","0.0978","0.113","","","","","","1.021","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504709","8.6754","0.0007","13.6574","0.0011","10.1203","0.0008","90","","102.809","0.001","90","","1169.25","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-diammoniopentane bispentaborate","","- C5 H24 B10 N2 O20 -","- C5 H24 B10 N2 O20 -","- C10 H48 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0713","0.0618","","","0.1835","0.1941","","","","","","0.939","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504710","8.612","0.009","13.995","0.015","10.279","0.012","90","","104.57","0.04","90","","1199","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,6-diammoniohexane bispentaborate","","","- C6 H26 B10 N2 O20 -","- C6 H26 B10 N2 O20 -","- C12 H52 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.1301","0.0555","","","0.1071","0.1328","","","","","","1.027","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504711","10.3871","0.001","10.4899","0.001","13.5967","0.0013","67.852","0.002","69.177","0.001","79.251","0.002","1280.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1,7-diammonioheptane octaborate","","","- C7 H32 B10 N2 O22 -","- C7 H32 B10 N2 O22 -","- C14 H64 B20 N4 O44 -","2","1","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0658","0.0342","","","0.0787","0.0884","","","","","","0.917","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504712","9.238","0.002","14.138","0.003","10.401","0.003","90","","92.034","0.004","90","","1357.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-diammoniooctane bispentaborate","","","- C8 H30 B10 N2 O20 -","- C8 H30 B10 N2 O20 -","- C16 H60 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.088","0.0529","","","0.1536","0.1716","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504713","9.2899","0.0015","14.312","0.002","10.2478","0.0017","90","","90.962","0.003","90","","1362.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,9-diammoniononane bispentaborate","","","- C9 H32 B10 N2 O20 -","- C9 H32 B10 N2 O20 -","- C18 H64 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.048","0.038","","","0.115","0.122","","","","","","1.027","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504714","9.3759","0.0006","14.037","0.0009","10.5878","0.0007","90","","90.072","0.001","90","","1393.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,10-diammoniodecane bispentaborate","","","- C10 H34 B10 N2 O20 -","- C10 H34 B10 N2 O20 -","- C20 H68 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0421","0.035","","","0.1191","0.132","","","","","","0.717","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504715","9.4469","0.0008","14.07","0.0012","10.6911","0.0009","90","","90.472","0.001","90","","1421","0.2","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,11-diammonioundecane bispentaborate","","","- C11 H36 B10 N2 O20 -","- C11 H36 B10 N2 O20 -","- C22 H72 B20 N4 O40 -","2","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0822","0.0549","","","0.172","0.191","","","","","","1.024","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504716","7.2943","0.0005","9.8545","0.0007","11.6668","0.0008","94.587","0.001","97.809","0.001","91.581","0.001","827.56","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1,12-diammoniododecane bispentaborate tetrahydrate","","","- C12 H46 B10 N2 O24 -","- C12 H46 B10 N2 O24 -","- C12 H46 B10 N2 O24 -","1","0.5","","Visi, Mandana Z.; Knobler, Carolyn B.; Owen, Jonathan J.; Khan, M. Ishaque; Schubert, David M.","Structures of Self-Assembled Nonmetal Borates Derived from α,ω-Diaminoalkanes","Crystal Growth & Design","2006","6","2","538","","10.1021/cg0504915","","","0.71073","MoKα","","0.0405","0.0377","","","0.1086","0.1115","","","","","","0.854","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504717","7.692","0.0002","31.918","0.0011","7.798","0.0003","90","","95.489","0.002","90","","1905.73","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N6 O3 S -","- C17 H24 N6 O3 S -","- C68 H96 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.1356","0.0642","","","0.1118","0.1341","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504718","7.787","0.0002","14.303","0.0003","19.988","0.0005","87.132","0.001","82.817","0.001","88.024","0.001","2205.08","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N6 O4 S -","- C19 H30 N6 O4 S -","- C76 H120 N24 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.1425","0.0604","","","0.1178","0.1487","","","","","","1.003","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504719","7.366","0.0001","7.42","0.0001","39.302","0.0006","90","","90","","90","","2148.08","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N6 O3 S -","- C19 H28 N6 O3 S -","- C76 H112 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.0457","0.0371","","","0.0889","0.0929","","","","","","1.026","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504720","8.274","0.0003","9.941","0.0003","25.206","0.001","90","","96.242","0.001","90","","2060.95","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N6 O3 S -","- C19 H28 N6 O3 S -","- C76 H112 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.141","0.0563","","","0.1179","0.148","","","","","","0.966","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504721","8.373","0.0002","9.009","0.0003","11.65","0.0003","102.601","0.002","109.008","0.002","97.34","0.002","791.81","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20.5 N3 O3.75 S -","- C16 H20.5 N3 O3.75 S -","- C32 H41 N6 O7.5 S2 -","2","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.0873","0.0556","","","0.1219","0.1381","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504722","7.6824","0.0004","39.8135","0.0019","10.5148","0.0005","90","","90.351","0.001","90","","3216","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N6 O3 S -","- C13 H16 N6 O3 S -","- C104 H128 N48 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.05","0.0431","","","0.1129","0.1164","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504723","8.8581","0.0007","31.583","0.003","11.7241","0.001","90","","92.687","0.001","90","","3276.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.1188","0.0715","","","0.1643","0.1826","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504724","21.056","0.0002","7.323","0.0001","23.705","0.0002","90","","95.164","0.001","90","","3640.31","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N12 O10 S2 -","- C30 H42 N12 O10 S2 -","- C120 H168 N48 O40 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.08","0.0522","","","0.1225","0.1391","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504725","10.9424","0.0005","15.6353","0.0008","9.7921","0.0005","90","","90","","90","","1675.31","0.14","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 N6 O3 S -","- C15 H20 N6 O3 S -","- C60 H80 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.6778","Synchrotron","","0.0471","0.0391","","","0.098","0.1018","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504726","10.0648","0.0001","13.9909","0.0001","14.805","0.0002","86.59","","78.3","","71.016","0.001","1930.38","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","octaaquoytterbium(III) chloride hydrate 4,4-bipyridine complex","","- C25 H49 Cl3 N5 O14.5 Yb -","- C25 H20 Cl3 N5 O14.5 Yb -","- C50 H40 Cl6 N10 O29 Yb2 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.7107","MoKα","","0.0589","0.0575","","","0.1614","0.1637","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504727","14.1542","0.0001","14.838","0.0001","37.0101","0.0003","97","","93.23","","93.91","","7680.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","octaaquoytterbium(III) chloride hydrate 4,4-bipyridine complex","","- C95 H189 Cl12 N19 O56.5 Yb4 -","- C95 H76 Cl12 N19 O56.5 Yb4 -","- C190 H152 Cl24 N38 O113 Yb8 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.0687","0.0513","","","0.1435","0.1567","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504728","20.9619","0.0002","32.1632","0.0002","35.4247","0.0003","90","","90","","90","","23883.4","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinelanthanum(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C147 H299 B108 Co8 La2 N24 O32.5 -","- C147 H229 B108 Co6 La2 N24 O32.5 -","- C588 H916 B432 Co24 La8 N96 O130 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1098","0.0709","","","0.1853","0.2294","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504729","21.0823","0.0001","32.108","0.0003","35.4399","0.0003","90","","90","","90","","23989.6","0.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","octaaquo-4,4'-bipyridinecerium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C148 H289 B108 Ce2 Co6 N23 O28 -","- C148 H227.5 B108 Ce2 Co6 N23 O27.5 -","- C592 H910 B432 Ce8 Co24 N92 O110 -","4","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.7107","MoKα","","0.1081","0.0735","","","0.1967","0.2249","","","","","","1.025","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504730","13.6449","0.0001","15.4157","0.0001","35.635","0.0004","84.673","0.001","89.82","0.001","68.82","0.001","6955.42","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","pentaaquobis(4,4-bipyridine)ethanolsamarium(III) hexaaquo-(mono-protonated-4-4'-bipyridine)ethanolsamarium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate","","- C178 H341 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","- C178 H299 B144 Co8 N28 O23 Sm2 -","1","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1562","0.1414","","","0.3684","0.3832","","","","","","0.994","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504731","13.6324","0.0001","25.8631","0.0002","54.1286","0.0004","97.36","0.001","95.38","0.01","94.85","0.01","18753.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)gadolinium(III) heptaaquo-4,4'-bipyridinegadolinium(III) cobalt(III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C274 H531 B216 Co12 Gd3 N42 O32 -","- C274 H481 B216 Co12 Gd3 N42 O32 -","- C548 H962 B432 Co24 Gd6 N84 O64 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1604","0.0875","","","0.2103","0.2534","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504732","13.6898","0.0009","28.882","0.002","54.376","0.004","97.574","0.004","95.523","0.004","94.999","0.004","21104","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)terbium(III) heptaaquo-4,4'-bipyridineterbium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C275 H531 B216 Co12 N42 O32.5 Tb3 -","- C275 H483 B216 Co12 N42 O32.5 Tb3 -","- C550 H966 B432 Co24 N84 O65 Tb6 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1142","0.077","","","0.1716","0.1886","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504733","13.7506","0.0013","29.005","0.003","54.61","0.005","97.532","0.004","95.524","0.004","94.95","0.004","21384","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","hexaaquobis(4,4'-bipyridine)holmium(III) heptaaquo-4,4'-bipyridineholmium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate","","- C273 H525 B216 Co12 Ho3 N42 O31.5 -","- C273 H488.5 B216 Co12 Ho3 N42 O31.5 -","- C546 H977 B432 Co24 Ho6 N84 O63 -","2","1","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.183","0.1649","","","0.4087","0.4145","","","","","","2.718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504734","16.4751","0.0012","19.6033","0.0015","37.759","0.003","90","","95.101","0.004","90","","12146.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","mono-protonated 4,4-bipyridine 4,4'-bipyridine carborane complex","","","- C43 H71 B33 N8 -","- C43 H71 B33 N8 -","- C344 H568 B264 N64 -","8","2","","Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.","Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions","Crystal Growth & Design","2006","6","3","726","","10.1021/cg050504e","","","0.71073","MoKα","","0.1993","0.1092","","","0.2822","0.3723","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504735","13.8","0.007","6.999","0.004","9.992","0.005","90","","90","","90","","965.1","0.9","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","BPU","","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0358","0.0349","","","0.0909","0.0917","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504736","6.8552","0.001","19.584","0.003","9.2987","0.0014","90","","101.414","0.003","90","","1223.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BPU hydrate","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.068","0.0651","","","0.1386","0.1401","","","","","","1.291","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504737","4.7749","0.0005","30.929","0.003","8.8091","0.0009","90","","91.458","0.002","90","","1300.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BCPU","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0682","0.0611","","","0.136","0.1396","","","","","","1.222","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504738","6.8469","0.0008","7.8139","0.0009","13.091","0.0016","86.706","0.002","78.55","0.002","82.935","0.002","680.84","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","BCPU hydrate","","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0485","0.0405","","","0.1084","0.1129","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504739","7.7431","0.001","11.0682","0.0014","21.559","0.003","90","","96.91","0.002","90","","1834.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C13 H22 N4 O9 S Zn -","- C13 H22 N4 O9 S Zn -","- C52 H88 N16 O36 S4 Zn4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0495","0.0486","","","0.1039","0.1044","","","","","","1.296","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504740","8.4886","0.0015","10.5837","0.0018","20.733","0.004","90","","96.619","0.003","90","","1850.3","0.6","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","2","","","- C11 H22 N4 O11 S Zn -","- C11 H21 N4 O11 S Zn -","- C44 H84 N16 O44 S4 Zn4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0501","0.0381","","","0.0849","0.0886","","","","","","1.089","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504741","6.722","0.0009","26.649","0.004","17.515","0.002","90","","92.445","0.003","90","","3134.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C22 H20 Cu N10 O8 -","- C22 H20 Cu N10 O8 -","- C88 H80 Cu4 N40 O32 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.1144","0.0679","","","0.1625","0.1748","","","","","","1.024","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504742","9.1241","0.0009","18.1265","0.0019","19.586","0.002","90","","94.712","0.002","90","","3228.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4","","","- C24 H24 Cu F6 N8 O10 S2 -","- C24 H24 Cu F6 N8 O10 S2 -","- C96 H96 Cu4 F24 N32 O40 S8 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0475","0.045","","","0.1044","0.1057","","","","","","1.247","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504743","16.9462","0.0015","16.9462","0.0015","18.477","0.003","90","","90","","90","","5306.1","1.1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","5","","","- C22 H20 Cl2 N8 O10 Zn -","- C22 H20 Cl2 N8 O10 Zn -","- C176 H160 Cl16 N64 O80 Zn8 -","8","0.5","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0654","0.0632","","","0.1404","0.1417","","","","","","1.381","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504744","23.905","0.005","13.712","0.003","15.538","0.003","90","","99.543","0.004","90","","5022.6","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6","","","- C22 H24 Cl N8 O8 Zn0.5 -","- C22 H24 Cl N8 O8 Zn0.5 -","- C176 H192 Cl8 N64 O64 Zn4 -","8","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.063","0.0461","","","0.1163","0.1278","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504745","3.733","0.0006","12.125","0.002","16.889","0.003","90","","91.896","0.003","90","","764","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","7","","","- C15 H10 Ag N5 O4 -","- C15 H10 Ag N5 O4 -","- C30 H20 Ag2 N10 O8 -","2","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0477","0.042","","","0.0962","0.0989","","","","","","1.007","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504746","18.6418","0.0017","16.8069","0.0015","13.1229","0.0012","90","","133.038","0.002","90","","3005.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","8","","","- C31 H23 Ag N8 O5 S -","- C31 H23 Ag N8 O5 S -","- C124 H92 Ag4 N32 O20 S4 -","4","1","","Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.","Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups","Crystal Growth & Design","2006","6","2","555","","10.1021/cg0505057","","","0.71073","MoKα","","0.0256","0.025","","","0.0602","0.0605","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504747","20.195","0.002","15.8339","0.0018","16.2758","0.0019","90","","90","","90","","5204.4","1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","Cd9L4(HL)4(bpy)4(H2bpy)(H2O)8","","","- C90 H70 Cd9 N26 O40 -","- C90 H54 Cd9 N26 O40 -","- C180 H108 Cd18 N52 O80 -","2","0.25","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.0836","0.052","","","0.1363","0.1571","","","","","","1.034","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504748","16.084","0.005","8.319","0.003","8.501","0.003","90","","90.284","0.006","90","","1137.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N6 O10 Zn3 -","- C20 H14 N6 O10 Zn3 -","- C40 H28 N12 O20 Zn6 -","2","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.034","0.0261","","","0.0634","0.0665","","","","","","1.068","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504749","11.558","0.007","11.617","0.007","11.841","0.007","64.11","0.01","81.057","0.011","72.69","0.01","1364.9","1.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N12 O16 Zn3 -","- C50 H34 N12 O16 Zn3 -","- C50 H34 N12 O16 Zn3 -","1","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks","Crystal Growth & Design","2006","6","2","564","","10.1021/cg0505158","","","0.71073","MoKα","","0.1052","0.0602","","","0.1649","0.1911","","","","","","1.076","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504750","15.2548","0.001","15.9803","0.001","7.8589","0.0005","90","","91.344","0.001","90","","1915.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-butyl-4-(3-dimethylamino-propylamino)-1,8-naphthalimide","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Banthia, Sandip; Samanta, Anunay","Long and Short Brick Network Architecture: Role of Water Molecules Acting as Three-Connecting Spacers","Crystal Growth & Design","2006","6","2","360","","10.1021/cg050517s","","","0.71073","MoKα","","0.0956","0.064","","","0.1406","0.157","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504751","9.15","0.003","29.914","0.009","6.871","0.002","90","","95.43","0.005","90","","1872.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Banthia, Sandip; Samanta, Anunay","Long and Short Brick Network Architecture: Role of Water Molecules Acting as Three-Connecting Spacers","Crystal Growth & Design","2006","6","2","360","","10.1021/cg050517s","","","0.71073","MoKα","","0.1033","0.0699","","","0.2018","0.2232","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504752","20.735","0.005","9.323","0.003","20.978","0.005","90","","95.8","0.04","90","","4034.5","1.9","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu Mo0.5 N8 O3 -","- C14 H30 Cu Mo0.5 N8 O3 -","- C112 H240 Cu8 Mo4 N64 O24 -","8","1","","Mukhopadhyay, Uday; Bernal, Ivan","A Self-Assembled, Decameric Water Cluster Stabilized by a Cyano-Bridged Copper(II) Complex","Crystal Growth & Design","2006","6","2","363","","10.1021/cg050537u","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.062","0.0673","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504753","8.04","0.001","15.799","0.002","12.103","0.001","90","","105.44","0.01","90","","1481.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N4 O7 -","- C13 H14 N4 O7 -","- C52 H56 N16 O28 -","4","1","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.1112","0.0483","","","0.0919","0.1223","","","","","","0.959","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504754","7.588","0.001","9.085","0.001","11.739","0.001","68.41","0.01","71.15","0.01","75.84","0.01","704.81","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N8 O12 -","- C26 H22 Cu N8 O12 -","- C26 H22 Cu N8 O12 -","1","0.5","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.0347","0.0294","","","0.073","0.078","","","","","","1.049","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504755","8.978","0.001","10.047","0.001","12.531","0.001","90.29","0.01","106.54","0.01","105.85","0.01","1038.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N8 O6 -","- C18 H22 Cu N8 O6 -","- C36 H44 Cu2 N16 O12 -","2","1","","Akhriff, Youness; Server-Carrió, Juan; García-Lozano, Julia; Folgado, José Vicente; Sancho, Amparo; Escrivà, Emilio; Vitoria, Pablo; Soto, Lucía","Supramolecular Structures from Three New Molecular Building Blocks Based on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP): [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and [Cu(BIP)2]·2H2O","Crystal Growth & Design","2006","6","5","1124","","10.1021/cg050543q","","","0.7107","MoKα","","0.067","0.0488","","","0.1344","0.1563","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504756","8.1699","0.0008","15.8073","0.0013","11.2115","0.0011","90","","106.481","0.003","90","","1388.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 La2 N2 O22 P4 -","- C12 H22 La2 N2 O22 P4 -","- C24 H44 La4 N4 O44 P8 -","2","0.5","","Ying, Shao-Ming; Mao, Jiang-Gao","Introducing a Second Ligand: New Route to Luminescent Lanthanide Polyphosphonates","Crystal Growth & Design","2006","6","4","964","","10.1021/cg050554j","","","0.71073","MoKα","","0.0528","0.0395","","","0.0761","0.081","","","","","","1.101","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504757","9.5478","0.0009","9.729","0.0009","9.7786","0.001","106.749","0.002","98.668","0.001","110.262","0.002","783.61","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 N2 Nd2 O26 P4 -","- C12 H34 N2 Nd2 O26 P4 -","- C12 H34 N2 Nd2 O26 P4 -","1","0.5","","Ying, Shao-Ming; Mao, Jiang-Gao","Introducing a Second Ligand: New Route to Luminescent Lanthanide Polyphosphonates","Crystal Growth & Design","2006","6","4","964","","10.1021/cg050554j","","","0.71073","MoKα","","0.0438","0.0356","","","0.0587","0.0622","","","","","","1.094","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504758","14.281","0.0006","21.734","0.0008","28.367","0.001","90","","109.804","0.001","90","","8283.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ruthenium polypyridyl complex","","","- C69.5 H75 Cl4 N20 O14 Ru2 -","- C69.5 H63 Cl4 N20 O14 Ru2 -","- C278 H252 Cl16 N80 O56 Ru8 -","4","1","","Deshpande, Megha S.; Kumbhar, Avinash S.; Puranik, Vedavati G.; Selvaraj, K.","Supramolecular Self-Assembled Ruthenium−Polypyridyl Framework Encapsulating Discrete Water Cluster","Crystal Growth & Design","2006","6","3","743","","10.1021/cg0505719","","","0.71073","MoKα","","0.094","0.0643","","","0.1791","0.1974","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504759","9.0546","0.0002","9.3174","0.0002","11.7975","0.0003","88.146","0.001","72.175","0.001","70.831","0.001","892.41","0.04","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H17 O5 P S -","- C19 H17 O5 P S -","- C38 H34 O10 P2 S2 -","2","1","","Marín-García, Liliana; Peña-Hueso, Adrián; Flores-Parra, Angelina; Contreras, Rosalinda","2-Anisyl-5-sulfonyldiphenylphosphine Oxide, Solid-State Structure Bearing Covalent Homonuclear Negative and Positive Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2006","6","4","969","","10.1021/cg050577y","","x-ray","0.7107","MoKα","","0.055","0.0334","","0.0525","0.0411","0.0411","","","","","","1.1005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504760","9.4067","0.0019","24.33","0.005","11.965","0.002","90","","98.98","0.03","90","","2704.8","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C90 H72 Ag4 Cl10 F12 N16 O16 -","2","0.25","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0711","0.0552","","","0.1576","0.1675","","","","","","1.086","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504761","10.719","0.002","10.728","0.002","18.594","0.004","84.66","0.03","84.95","0.03","79.61","0.03","2088.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Ag2 F6 N8 O10 S2 -","- C38 H28 Ag2 F6 N8 O10 S2 -","- C76 H56 Ag4 F12 N16 O20 S4 -","2","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0892","0.0566","","","0.128","0.1525","","","","","","0.903","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504762","19.253","0.004","24.785","0.005","9.6781","0.0019","90","","90","","90","","4618.3","1.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H22 Ag N5 O7 -","- C20 H22 Ag N5 O7 -","- C160 H176 Ag8 N40 O56 -","8","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0962","0.0492","","","0.1271","0.1494","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504763","9.3701","0.0019","12.076","0.002","12.401","0.003","88.01","0.03","85.14","0.03","73.19","0.03","1338.3","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","1","0.5","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0781","0.0612","","","0.17","0.1822","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504764","11.47","0.002","19.039","0.004","9.852","0.002","90","","99.69","0.03","90","","2120.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Ag F3 N4 O5 S -","- C19 H14 Ag F3 N4 O5 S -","- C76 H56 Ag4 F12 N16 O20 S4 -","4","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0912","0.0477","","","0.0981","0.1148","","","","","","0.973","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504765","8.7166","0.0017","13.711","0.003","9.2663","0.0019","90","","112.1","0.03","90","","1026.1","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H14 Ag F6 N4 O2 P -","- C18 H14 Ag F6 N4 O2 P -","- C36 H28 Ag2 F12 N8 O4 P2 -","2","1","","Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.","Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)","Crystal Growth & Design","2006","6","4","974","","10.1021/cg050578q","","","0.71073","MoKα","","0.0552","0.0466","","","0.1168","0.1237","","","","","","1.038","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504766","10.804","0.002","10.741","0.003","14.05","0.004","87.357","0.011","88.031","0.012","68.716","0.016","1517.3","0.7","110","","110","","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C30 H36.5 Cu2 N2 O11.25 -","- C30 H34 Cu2 N2 O11.25 -","- C60 H68 Cu4 N4 O22.5 -","2","1","","Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima","α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer","Crystal Growth & Design","2006","6","4","825","","10.1021/cg050585e","","","0.71073","MoKα","","0.1558","0.0825","","","0.1891","0.2203","","","","","","1.058","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504767","10.708","0.004","10.822","0.005","11.457","0.006","111.84","0.02","93.35","0.03","113.52","0.03","1096.1","1","110","","110","","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C44 H50 Cu4 N2 O16 -","- C44 H50 Cu4 N2 O16 -","- C44 H50 Cu4 N2 O16 -","1","0.5","","Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima","α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer","Crystal Growth & Design","2006","6","4","825","","10.1021/cg050585e","","","0.71073","MoKα","","0.145","0.063","","","0.097","0.119","","","","","","1.014","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504768","18.051","0.004","21.21","0.005","17.979","0.004","90","","90","","90","","6883","3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cu2 N8 O15 -","- C26 H30 Cu2 N8 O15 -","- C208 H240 Cu16 N64 O120 -","8","1","","Lou, Ben-Yong; Jiang, Fei-Long; Wu, Ben-Lai; Yuan, Da-Qiang; Hong, Mao-Chun","From Helical Array to Porous Architecture: Exploring the Use of Side Chains of Amino Acids to Engineer 1D Infinite Coordination Polymeric Chain into Porous Frameworks","Crystal Growth & Design","2006","6","4","989","","10.1021/cg050589j","","","0.71073","MoKα","","0.0659","0.0587","","","0.131","0.1348","","","","","","1.163","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504769","22.8992","0.0013","24.819","0.0011","9.0518","0.0005","90","","94.305","0.002","90","","5129.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Cu2 N7 O13 -","- C38 H36 Cu2 N7 O13 -","- C152 H144 Cu8 N28 O52 -","4","0.5","","Lou, Ben-Yong; Jiang, Fei-Long; Wu, Ben-Lai; Yuan, Da-Qiang; Hong, Mao-Chun","From Helical Array to Porous Architecture: Exploring the Use of Side Chains of Amino Acids to Engineer 1D Infinite Coordination Polymeric Chain into Porous Frameworks","Crystal Growth & Design","2006","6","4","989","","10.1021/cg050589j","","","0.71073","MoKα","","0.09","0.0744","","","0.2368","0.2522","","","","","","1.141","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504770","9.1651","0.0013","11.0434","0.0016","11.1107","0.0016","115.76","0.002","94.814","0.003","111.369","0.002","903","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N O4 -","- C18 H30 N O4 -","- C36 H60 N2 O8 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0599","0.051","","","0.1678","0.1879","","","","","","1.285","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504771","11.7773","0.0008","21.0614","0.0014","13.405","0.0009","90","","115.346","0.001","90","","3005","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 N2 O5 -","- C30 H56 N2 O5 -","- C120 H224 N8 O20 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0352","0.0324","","","0.0832","0.0852","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504772","8.6185","0.0009","20.265","0.002","10.3832","0.0011","90","","97.464","0.002","90","","1798.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0441","0.0346","","","0.1013","0.1249","","","","","","1.199","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504773","14.9159","0.0017","9.1832","0.0011","23.998","0.003","90","","107.853","0.002","90","","3128.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O6 -","- C34 H42 N2 O6 -","- C136 H168 N8 O24 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Noncovalent Syntheses of Supramolecular Organo Gelators","Crystal Growth & Design","2006","6","3","763","","10.1021/cg050590i","","","0.71073","MoKα","","0.0876","0.0719","","","0.1965","0.2201","","","","","","1.074","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504774","10.676","0.003","10.22","0.003","21.095","0.005","90","","100.699","0.006","90","","2261.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cu N2 O11 S2 -","- C14 H12 Cu N2 O11 S2 -","- C56 H48 Cu4 N8 O44 S8 -","4","1","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; García-Martínez, Emilia; Lago, Ana B.; Vázquez, Miguel; Vázquez-López, Ezequiel M.","Supramolecular Aggregation of Hexameric Water Clusters into a 2D Water Polymer Containing (H2O)18Holes","Crystal Growth & Design","2006","6","3","629","","10.1021/cg0505923","","","0.71073","MoKα","","0.2622","0.0704","","","0.1492","0.1947","","","","","","0.832","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504775","9.8497","0.0008","17.9016","0.0015","14.5351","0.0012","90","","90.333","0.001","90","","2562.9","0.4","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O1.5 P2 S -","- C29 H26 N2 O1.5 P2 S -","- C116 H104 N8 O6 P8 S4 -","4","1","","Kühl, Olaf; Walfort, Bernhard; Rüffer, Tobias","Supramolecular Recognition Patterns − A Cause for Preferred Isomers in Phosphanylated 2-Amino-Thiazole","Crystal Growth & Design","2006","6","2","366","","10.1021/cg050603s","","","0.71073","MoKα","","0.0598","0.0439","","","0.114","0.1228","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504776","7.7736","0.0004","11.8133","0.0007","16.2283","0.0009","90","","103.549","0.001","90","","1448.8","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N2 P S -","- C15 H13 N2 P S -","- C60 H52 N8 P4 S4 -","4","1","","Kühl, Olaf; Walfort, Bernhard; Rüffer, Tobias","Supramolecular Recognition Patterns − A Cause for Preferred Isomers in Phosphanylated 2-Amino-Thiazole","Crystal Growth & Design","2006","6","2","366","","10.1021/cg050603s","","","0.71073","MoKα","","0.0448","0.0382","","","0.1045","0.1119","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504777","42.7088","0.0015","4.0066","0.0002","11.6089","0.0006","90","","90.411","0.002","90","","1986.43","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C72 H80 Br8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0463","0.044","","","0.1112","0.1128","","","","","","1.1","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504778","5.5664","0.0003","40.672","0.002","3.9542","0.0003","90","","90","","90","","895.22","0.09","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H17 Br2 N O4 -","- C18 H17 Br2 N O4 -","- C36 H34 Br4 N2 O8 -","2","0.5","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0409","0.0404","","","0.0971","0.0973","","","","","","1.341","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504779","11.6704","0.0009","3.9682","0.0004","41.889","0.003","90","","90","","90","","1939.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C72 H80 Cl8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.1201","0.0739","","","0.1699","0.1949","","","","","","1.062","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504780","39.987","0.002","5.9313","0.0003","7.5657","0.0004","90","","94.379","0.004","90","","1789.16","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl2 N O4 -","- C18 H17 Cl2 N O4 -","- C72 H68 Cl8 N4 O16 -","4","0.5","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.0849","0.0763","","","0.1971","0.2054","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504781","7.2603","0.0013","10.3523","0.0018","18.692","0.003","90","","94.087","0.003","90","","1401.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Ca O13 P -","- C7 H17 Ca O13 P -","- C28 H68 Ca4 O52 P4 -","4","1","","Demadis, Konstantinos D.; Lykoudis, Panagiotis; Raptis, Raphael G.; Mezei, Gellert","Phosphonopolycarboxylates as Chemical Additives for Calcite Scale Dissolution and Metallic Corrosion Inhibition Based on a Calcium-Phosphonotricarboxylate Organic−Inorganic Hybrid","Crystal Growth & Design","2006","6","5","1064","","10.1021/cg050620h","","","0.71073","MoKα","","0.0926","0.0434","","","0.0729","0.0832","","","","","","0.902","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504782","12.8446","0.0008","15.0021","0.0011","21.8715","0.0016","96.167","0.003","97.67","0.004","101.066","0.004","4060.7","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 N4 O8 -","- C48 H30 N4 O8 -","- C96 H60 N8 O16 -","2","1","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.1373","0.0732","","","0.16","0.171","","","","","","1.182","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504783","9.4265","0.0001","15.2987","0.0003","20.0481","0.0004","100.103","0.001","97.252","0.0011","107.294","0.0011","2668.31","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Cl8 Mn N4 O10 -","- C52 H35 Cl8 Mn N4 O10 -","- C104 H70 Cl16 Mn2 N8 O20 -","2","1","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0773","0.0621","","","0.1393","0.1467","","","","","","1.137","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504784","18.6724","0.0006","18.6724","0.0006","16.8341","0.0005","90","","90","","90","","5869.4","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Mn N4 O14 P -","- C50 H36 Mn N4 O14 P -","- C200 H144 Mn4 N16 O56 P4 -","4","0.5","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0912","0.0663","","","0.1676","0.1802","","","","","","0.978","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504785","13.9892","0.0005","13.9892","0.0005","9.384","0.0003","90","","90","","90","","1836.43","0.11","110","2","110","2","","","","","","","","6","I 4","I 4","79","","","","- C44 H30 Cl Mn N4 O5 -","- C44 H30 Cl Mn N4 O5 -","- C88 H60 Cl2 Mn2 N8 O10 -","2","0.25","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0483","0.0426","","","0.1134","0.118","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504786","8.082","0.005","8.805","0.005","15.276","0.005","94.905","0.005","94.934","0.005","91.29","0.005","1078.6","1","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Ag Cl N4 O6 S4 -","- C48 H36 Ag Cl N4 O6 S4 -","- C48 H36 Ag Cl N4 O6 S4 -","1","0.5","","Hanton, Lyall R.; Young, Aidan G.","Square-Planar Silver(I)-Containing Polymers Formed from π-Stacked Entities","Crystal Growth & Design","2006","6","4","833","","10.1021/cg0506267","","","0.71069","MoKα","","0.0486","0.0324","","","0.0779","0.0812","","","","","","0.953","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504787","7.891","0.005","8.746","0.005","15.204","0.005","96.326","0.005","96.211","0.005","90.67","0.005","1036.5","0.9","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Ag N5 O5 S4 -","- C48 H36 Ag N5 O5 S4 -","- C48 H36 Ag N5 O5 S4 -","1","0.5","","Hanton, Lyall R.; Young, Aidan G.","Square-Planar Silver(I)-Containing Polymers Formed from π-Stacked Entities","Crystal Growth & Design","2006","6","4","833","","10.1021/cg0506267","","","0.71069","MoKα","","0.0469","0.0329","","","0.0702","0.0733","","","","","","1.432","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504788","9.2172","0.0007","16.0864","0.0012","9.7392","0.0007","90","","115.688","0.001","90","","1301.33","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Mg N O12 P3 -","- C3 H16 Mg N O12 P3 -","- C12 H64 Mg4 N4 O48 P12 -","4","1","","Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter","Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association","Crystal Growth & Design","2006","6","4","836","","10.1021/cg0506368","","","0.71073","MoKα","","0.0366","0.0285","","","0.0791","0.0829","","","","","","1.035","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504789","8.0693","0.0016","13.85","0.003","9.985","0.003","90","","105.765","0.009","90","","1073.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 N O9 P3 Sr -","- C3 H10 N O9 P3 Sr -","- C12 H40 N4 O36 P12 Sr4 -","4","1","","Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter","Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association","Crystal Growth & Design","2006","6","4","836","","10.1021/cg0506368","","","0.71073","MoKα","","0.0254","0.023","","","0.0617","0.0626","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504790","25.776","0.002","8.4636","0.0007","18.9116","0.0015","90","","131.156","0.001","90","","3106.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 N O2.5 -","- C15 H30 N O2.5 -","- C120 H240 N8 O20 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.035","0.0336","","","0.0896","0.0914","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504791","19.2547","0.0015","8.8429","0.0007","18.785","0.0014","90","","92.582","0.001","90","","3195.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 N O2 -","- C16 H31 N O2 -","- C128 H248 N8 O16 -","8","2","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0402","0.0377","","","0.1024","0.1054","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504792","23.767","0.0016","8.4456","0.0006","25.2049","0.0017","90","","96.288","0.001","90","","5028.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H99 N3 O6 -","- C51 H99 N3 O6 -","- C204 H396 N12 O24 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0876","0.0672","","","0.1717","0.1945","","","","","","1.001","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504793","19.321","0.003","8.6155","0.0014","23.943","0.004","90","","110.416","0.003","90","","3735.2","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H70 N2 O5 -","- C36 H70 N2 O5 -","- C144 H280 N8 O20 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0583","0.0525","","","0.1477","0.1549","","","","","","1.053","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504794","18.61","","8.949","","25.27","","90","","90","","90","","4208.49","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H39 N O2 -","- C20 H39 N O2 -","- C160 H312 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.1477","0.1018","","","0.2644","0.2973","","","","","","1.054","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504795","19.004","","8.358","","27.425","","90","","96.51","","90","","4327.97","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 N2 O4 -","- C44 H86 N2 O4 -","- C176 H344 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.0506","0.0418","","","0.1051","0.1115","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504796","14.754","0.008","8.789","0.005","19.241","0.011","90","","103.093","0.01","90","","2430","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 N O2 -","- C23 H45 N O2 -","- C92 H180 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.146","0.1004","","","0.2496","0.2813","","","","","","1.112","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504797","5.594","0.006","11.015","0.013","23.69","0.03","96.13","0.02","90.55","0.02","99.05","0.03","1433","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H55 N O2 -","- C28 H55 N O2 -","- C56 H110 N2 O4 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.2098","0.1055","","","0.2411","0.3031","","","","","","0.816","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504798","5.642","0.002","10.995","0.004","24.187","0.009","97.788","0.008","90.533","0.008","96.485","0.009","1476.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H57 N O2 -","- C29 H57 N O2 -","- C58 H114 N2 O4 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.1513","0.0719","","","0.1505","0.184","","","","","","1.019","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504799","7.7389","0.0009","10.602","0.001","20.719","0.002","96.054","0.006","90.734","0.003","103.936","0.006","1639.4","0.3","173","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 K2 N4 O48 Zn7 -","- C48 H60 K2 N4 O48 Zn7 -","- C48 H60 K2 N4 O48 Zn7 -","1","0.5","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.1185","0.07","","","0.1273","0.1527","","","","","","1.074","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504800","12.941","0.003","11.789","0.002","22.401","0.005","90","","101.37","0.03","90","","3350.5","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-bis(3-pyridyl)ureahydrate(3:4)","1,3-bis(3-pyridyl)ureahydrate(3:4)","","- C11 H12.66667 N4 O2.33333 -","- C11 H12.6667 N4 O2.33333 -","- C132 H152 N48 O28 -","12","1.5","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures of N,N'-Bis(3-pyridyl)urea. Why Is the N-H...O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0581","0.0449","","","0.1171","0.1307","","","","","","1.101","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504801","13.707","0.003","7.014","0.0014","10.006","0.002","90","","90","","90","","962","0.3","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","1,3-bis(3-pyridyl)urea","1,3-bis(3-pyridyl)urea","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0498","0.0437","","","0.1021","0.1068","","","","","","1.135","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504802","6.7932","0.0008","19.56","0.002","9.2746","0.0011","90","","101.26","0.002","90","","1208.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-bis(3-pyridyl)ureadihydrate","1,3-bis(3-pyridyl)ureadihydrate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3.007 -","- C44 H56 N16 O12.028 -","4","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0801","0.0499","","","0.0984","0.1097","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504803","6.8138","0.0005","19.586","0.011","9.292","0.004","90","","101.24","0.03","90","","1216.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-bis(3-pyridyl)urea dihydrate","1,3-bis(3-pyridyl)urea dihydrate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.086","0.0522","","","0.1203","0.1409","","","","","","1.042","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504804","7.404","0.002","8.068","0.004","13.562","0.003","104.55","0.03","98.02","0.02","95.52","0.03","769.2","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(3-pyridyl)urea+Fumaricacid+water","N,N'-bis(3-pyridyl)urea+Fumaricacid+water","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C30 H32 N8 O12 -","2","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.1531","0.0651","","","0.1682","0.2059","","","","","","1.125","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504805","38.093","0.008","5.282","0.0011","16.428","0.003","90","","109.35","0.03","90","","3118.7","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N,N'-bis(3-pyridyl)urea+succinicacid","N,N'-bis(3-pyridyl)urea+succinicacid","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C120 H128 N32 O40 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.1055","0.0676","","","0.1546","0.2028","","","","","","1.12","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504806","7.9686","0.0007","12.2243","0.0011","24.538","0.002","90","","90.65","0.002","90","","2390.1","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N,N'-bis(3-pyridyl-N-oxide)urea dihydrate","N,N'-bis(3-pyridyl-N-oxide)urea dihydrate","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C88 H96 N32 O32 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0559","0.0462","","","0.1045","0.1097","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504807","11.7789","0.0013","9.4606","0.001","18.262","0.002","90","","90","","90","","2035","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(3-pyridyl)-N'-phenylurea","N-(3-pyridyl)-N'-phenylurea","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0445","0.0425","","","0.1024","0.1038","","","","","","1.119","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504808","7.7439","0.0015","10.464","0.002","10.683","0.002","101.42","0.03","100.55","0.03","99.28","0.03","816.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(3-N-methylpyridinium)urea diiodide","","- C13 H16 I2 N4 O -","- C13 H16 I2 N4 O -","- C26 H32 I4 N8 O2 -","2","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0203","0.0194","","","0.049","0.0495","","","","","","1.104","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504809","10.7494","0.0002","12.7727","0.0003","22.2935","0.0005","95.936","0.001","97.949","0.001","111.018","0.001","2790.74","0.11","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","Lithium 4-Br-2,6-Dimethylphenoxide Dioxane","","","- C50 H68 Br4 Li4 O13 -","- C50 H68 Br4 Li4 O13 -","- C100 H136 Br8 Li8 O26 -","2","1","","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units","Crystal Growth & Design","2006","6","5","1071","","10.1021/cg0600187","","x-ray","0.71073","MoKα","","0.0343","0.0267","","","0.0657","0.0686","","","","","","1.036","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504810","18.492","0.0005","18.492","0.0005","28.562","0.001","90","","90","","90","","9766.9","0.5","100","2","100","2","","","","","","","Synthesized","5","I -4 2 d","I -4 2bw","122","Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane","","","- C22 H28 Br2 Li2 O6 -","- C22 H28 Br2 Li2 O6 -","- C352 H448 Br32 Li32 O96 -","16","1","","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units","Crystal Growth & Design","2006","6","5","1071","","10.1021/cg0600187","","x-ray","0.71073","MoKα","","0.0322","0.0239","","","0.0456","0.0472","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504811","20.952","0.008","18.617","0.007","19.2","0.007","90","","91.463","0.007","90","","7487","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H98 N8 O26 -","- C68 H98 N8 O26 -","- C272 H392 N32 O104 -","4","0.5","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Formation of a Decameric Water Ring in a Cryptand−Phthalic Acid Supramolecular Adduct","Crystal Growth & Design","2006","6","5","1074","","10.1021/cg0600445","","","0.71073","MoKα","","0.1284","0.0541","","","0.139","0.1781","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504812","20.714","0.002","18.508","0.002","19.115","0.002","90","","91.327","0.002","90","","7326.2","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H99.33 N8 O26.67 -","- C68 H99.32 N8 O26.66 -","- C272 H397.28 N32 O106.64 -","4","0.5","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Formation of a Decameric Water Ring in a Cryptand−Phthalic Acid Supramolecular Adduct","Crystal Growth & Design","2006","6","5","1074","","10.1021/cg0600445","","","0.71073","MoKα","","0.0564","0.0401","","","0.1005","0.1112","","","","","","1.031","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504813","11.436","0.004","5.64","0.002","26.449","0.009","90","","99.252","0.005","90","","1683.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-bromo-phenylacetonitrile oxime)2, 1,4-di[(1-benzimidazolyl)methyl]benzene","","- C38 H28 Br2 N8 O2 -","- C38 H28 Br2 N8 O2 -","- C76 H56 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0769","0.0583","","","0.1382","0.1462","","","","","","0.953","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504814","12.9436","0.0005","5.1863","0.0002","21.6419","0.0009","90","","93.45","0.001","90","","1450.17","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-bromo-phenylacetonitrile oxime)2, 1,4-di[(1-imidazolyl)methyl]benzene","","- C30 H24 Br2 N8 O2 -","- C30 H24 Br2 N8 O2 -","- C60 H48 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0271","0.0245","","","0.0688","0.0703","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504815","7.436","0.0009","19.613","0.002","12.5107","0.0015","90","","107.063","0.002","90","","1744.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-bromo-PhC(CN)(=NOH))2, 1,4-di[(2-methyl-1-benzimidazolyl)methyl]benzene","","- C40 H32 Br2 N8 O2 -","- C40 H32 Br2 N8 O2 -","- C80 H64 Br4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0279","0.0253","","","0.0671","0.0683","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504816","7.0034","0.0008","10.6013","0.0012","11.1605","0.0012","77","0.002","75.995","0.002","84.92","0.002","782.87","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-bromo-PhC(CN)(=NOH))2, 1,4-di[(2-methyl-1-imidazolyl)methyl]benzene","","- C32 H28 Br2 N8 O2 -","- C32 H28 Br2 N8 O2 -","- C32 H28 Br2 N8 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0302","0.0281","","","0.0771","0.0784","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504817","5.9","0.001","7.2231","0.0012","17.088","0.003","86.114","0.003","89.633","0.004","73.472","0.003","696.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3-chloro-phenylacetonitrile oxime)2, 1,4-di[(1-imidazolyl)methyl]benzene","","- C30 H24 Cl2 N8 O2 -","- C30 H24 Cl2 N8 O2 -","- C30 H24 Cl2 N8 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0527","0.0453","","","0.1135","0.1183","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504818","10.9286","0.0011","14.1612","0.0015","11.3704","0.0012","90","","92.619","0.002","90","","1757.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-[bis(2-methylbenzimidazol-1-yl)methyl]benzene, (4-bromobenzacetoxime)2","","- C40 H38 Br2 N6 O2 -","- C40 H38 Br2 N6 O2 -","- C80 H76 Br4 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanophenyloximes: Reliable and Versatile Tools for Hydrogen-Bond Directed Supramolecular Synthesis of Cocrystals","Crystal Growth & Design","2006","6","4","1033","","10.1021/cg0600492","","","0.71073","MoKα","","0.0361","0.0292","","","0.0745","0.0775","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504819","16.347","0.013","11.142","0.013","9.425","0.009","90","","103.36","0.02","90","","1670","3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F N -","- C6 H5 F N -","- C72 H60 F12 N12 -","12","1.5","","Chopra, Deepak; Thiruvenkatam, Vijay; Row, Tayur. N. Guru","In Situ Cryo-Crystallization of Fluorinated Amines: A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine","Crystal Growth & Design","2006","6","4","843","","10.1021/cg060053d","","","0.71073","MoKα","","0.1562","0.0822","","","0.2004","0.2465","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504820","10.755","0.007","5.419","0.004","9.046","0.006","90","","90","","90","","527.2","0.6","220","2","220","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H6 F N -","- C6 H6 F N -","- C24 H24 F4 N4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Row, Tayur. N. Guru","In Situ Cryo-Crystallization of Fluorinated Amines: A Comparative Study of Cooperative Intermolecular Interactions Involving Ordered and Disordered Fluorine","Crystal Growth & Design","2006","6","4","843","","10.1021/cg060053d","","","0.71073","MoKα","","0.0398","0.0373","","","0.0927","0.0942","","","","","","1.109","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504821","7.2964","0.0004","20.9295","0.001","10.79","0.0006","90","","103.888","0.002","90","","1599.57","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(H~4~Qim)(H~2~O)~4~","","","- C12 H18 N8 O4 -","- C12 H10 N8 O4 -","- C48 H40 N32 O16 -","4","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71069","MoKα","","0.1333","0.0877","","","0.1972","0.2278","","","","","","1.036","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504822","9.317","0.0001","11.6417","0.0001","25.1539","0.0002","90","","93.547","0.001","90","","2723.11","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(H~6~Qim)I~2~(dioxisan)~2~","","","- C20 H28 I2 N8 O4 -","- C20 H28 I2 N8 O4 -","- C80 H112 I8 N32 O16 -","4","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71075","MoKα","","0.1435","0.0674","","","0.1534","0.1697","","","","","","0.811","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504823","7.697","0.0002","13.276","0.0003","14.5091","0.0006","68.164","0.001","84.772","0.001","82.781","0.002","1363.75","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","(H~4~Qim)~2~(CuCl~2~)~2~","","","- C16 H12 Cl4 Cu2 N8 O3 S2 -","- C16 H24 Cl4 Cu2 N8 O3 S2 -","- C32 H48 Cl8 Cu4 N16 O6 S4 -","2","1","","Murata, Tsuyoshi; Morita, Yasushi; Fukui, Kozo; Yakiyama, Yumi; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji; Nakasuji, Kazuhiro","Multidimensional Networks of π-Conjugated Oligomers: Crystal Structures of 4,4‘:2‘,2‘ ‘:4‘ ‘,4‘ ‘‘-Quaterimidazole in Hydrate, Protonated Salt, and Dinucleic Copper Complexes","Crystal Growth & Design","2006","6","4","1043","","10.1021/cg0600602","","","0.71069","MoKα","","0.0648","0.0376","","","0.0933","0.1081","","","","","","1.043","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504824","18.001","0.007","13.615","0.006","16.927","0.006","90","","110.83","0.01","90","","3877","3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O4 -","- C82 H60 N12 O4 -","- C328 H240 N48 O16 -","4","0.5","","Matsumoto, Kouzou; Harada, Yukako; Yamada, Nao; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand Hexakis(4-pyridyl)[3]radialene","Crystal Growth & Design","2006","6","5","1083","","10.1021/cg060073f","","","0.7107","MoKa","","","0.0456","","","","0.1245","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504825","11.147","0.002","25.605","0.004","13.295","0.003","90","","107.341","0.009","90","","3622.2","1.2","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Ag Cl N6 O6 S -","- C39 H34 Ag Cl N6 O6 S -","- C156 H136 Ag4 Cl4 N24 O24 S4 -","4","1","","Matsumoto, Kouzou; Harada, Yukako; Yamada, Nao; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand Hexakis(4-pyridyl)[3]radialene","Crystal Growth & Design","2006","6","5","1083","","10.1021/cg060073f","","","0.7107","MoKa","","","0.0635","","","","0.1742","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504826","5.8571","0.0004","7.0475","0.00025","8.7999","0.0006","102.99","0.006","92.874","0.006","110.47","0.004","328.28","0.04","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C H N S -","- C H N S -","- C6 H6 N6 S6 -","6","3","","Guo, Fang; Cheung, Eugene Y.; Harris, Kenneth D. M.; Pedireddi, V. R.","Contrasting Solid-State Structures of Trithiocyanuric Acid and Cyanuric Acid","Crystal Growth & Design","2006","6","4","846","","10.1021/cg0601094","powder diffraction","x-ray","1.54056","","","","","","","","","","","5.9","","","","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504827","15.17","0.003","13.343","0.003","18.523","0.004","90","","105.42","0.03","90","","3614.3","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 N O15 P2 -","- C35 H42 N O15 P2 -","- C140 H168 N4 O60 P8 -","4","1","","Lazar, Adina N.; Dupont, Nathalie; Navaza, Alda; Coleman, Anthony W.","Solid-State Complexes of Calix[4]arene Dihydroxyphosphonic Acid with Bipyridyl Ligands","Crystal Growth & Design","2006","6","3","669","","10.1021/cg058017m","","","0.71073","MoKα","","0.1353","0.0803","","","0.2048","0.2344","","","","","","1.057","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4508617","8.365","0.002","12.033","0.003","14.164","0.004","90","","103.52","0.02","90","","1386.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicesium heptaborate","","- B7 Cs2 H5 O14 -","- B7 Cs2 H5 O14 -","- B28 Cs8 H20 O56 -","4","1","","Liu, Zhi-Hong; Li, Lian-Qing","A New Hydrated Cesium Heptaborate Cs2[B7O9(OH)5]: Synthesis and Crystal Structure","Crystal Growth & Design","2006","6","6","1247","","10.1021/cg0503200","","","0.71073","MoKα","","0.0352","0.0259","","","0.0579","0.0598","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508618","18.846","0.004","13.443","0.003","27.561","0.006","90","","105.75","0.03","90","","6720","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H43.5 Ge N2 Nd1.5 O48 W11 -","- C8 H24 Ge N2 Nd1.5 O48 W11 -","- C32 H96 Ge4 N8 Nd6 O192 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0715","0.0546","","","0.1368","0.1445","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508619","12.8034","0.0008","44.52","0.003","11.4867","0.0007","90","","107.52","0.001","90","","6243.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H44 Ge O55 S3 Sm2.5 W11 -","- C6 H16 Ge O55 S3 Sm2.5 W11 -","- C24 H64 Ge4 O220 S12 Sm10 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0472","0.0416","","","0.0975","0.1001","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508620","18.791","0.004","13.388","0.003","27.534","0.006","90","","105.73","0.03","90","","6667","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H41.75 Ge N2 O46.75 Sm1.25 W11 -","- C8 H24 Ge N2 O46.75 Sm1.25 W11 -","- C32 H96 Ge4 N8 O187 Sm5 W44 -","4","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0875","0.0605","","","0.1462","0.1589","","","","","","1.084","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508621","27.834","0.006","22.706","0.005","23.818","0.005","90","","123.12","0.03","90","","12607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H49 Ge N2.5 O44.75 W11 Yb -","- C10 H30 Ge N2.5 O44.75 W11 Yb -","- C80 H240 Ge8 N20 O358 W88 Yb8 -","8","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.0711","0.0585","","","0.1408","0.1476","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508622","27.895","0.006","22.795","0.005","23.877","0.005","90","","123.36","0.03","90","","12681","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H44.5 Ge N2.5 O45 W11 Y -","- C10 H30 Ge N2.5 O45 W11 Y -","- C80 H240 Ge8 N20 O360 W88 Y8 -","8","1","","Wang, Jing-Ping; Duan, Xian-Ying; Du, Xiao-Di; Niu, Jing-Yang","Novel Rare Earth Germanotungstates and Organic Hybrid Derivatives: Synthesis and Structures of M/[α-GeW11O39] (M = Nd, Sm, Y, Yb) and Sm/[α-GeW11O39](DMSO)","Crystal Growth & Design","2006","6","10","2266","","10.1021/cg050321s","","","0.71073","MoKα","","0.1059","0.0674","","","0.1609","0.1747","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508623","12.175","0.002","5.6591","0.0011","7.1287","0.0014","90","","90","","90","","491.16","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cu2 O10 Y4 -","- Ba2 Cu2 O10 Y4 -","- Ba4 Cu4 O20 Y8 -","2","0.25","","Mele, P.; Ubaldini, A.; Carnasciali, M. M.; Costa, G. A.; Scavini, M.","Growth and Structural Characterization of Needlelike Crystals in the Y−Ba−Cu−O System","Crystal Growth & Design","2006","6","8","1761","","10.1021/cg050519c","","","0.71073","MoKα","","0.0417","0.0326","","","0.0666","0.0695","","","","","","1.028","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508624","15.0213","0.0017","7.4222","0.0007","15.3083","0.0014","90","","91.342","0.004","90","","1706.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cs2 Cu3 N20 O4 W2 -","- C16 H20 Cs2 Cu3 N20 O4 W2 -","- C32 H40 Cs4 Cu6 N40 O8 W4 -","2","0.5","","Wang, Zhao-Xi; Zhang, Peng; Shen, Xiao-Fei; Song, You; You, Xiao-Zeng; Hashimoto, Kazuhito","Syntheses, Structures, and Properties of Two Three-Dimensional Octacyanometalate-Based Polymers: Cs2Cu3[W(CN)8]2·4NH3·4H2O and Cu2[Mo(CN)8]·8NH3","Crystal Growth & Design","2006","6","11","2457","","10.1021/cg050555b","","","0.71073","MoKα","","0.0589","0.051","","","0.1151","0.1172","","","","","","1.083","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508625","17.0876","0.0017","14.9487","0.0015","12.0009","0.0012","90","","109.473","0.002","90","","2890.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H10.5 Cd Cl2 N3.5 O0.5 -","- C12.5 H10 Cd Cl2 N3.5 O0.5 -","- C100 H80 Cd8 Cl16 N28 O4 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0357","0.0313","","","0.0725","0.0748","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508626","15.875","0.002","15.131","0.002","12.1758","0.0016","90","","110.96","0.002","90","","2731.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cl4 N7 O0 Zn2 -","- C25 H19 Cl4 N7 Zn2 -","- C100 H76 Cl16 N28 Zn8 -","4","0.5","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0838","0.0492","","","0.0992","0.1115","","","","","","1.017","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508627","17.36","0.009","15.178","0.008","24.457","0.013","90","","90","","90","","6444","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cd2 I4 N7 O0 -","- C25 H19 Cd2 I4 N7 -","- C200 H152 Cd16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.057","0.0425","","","0.1005","0.1083","","","","","","1.005","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508628","16.7768","0.0012","14.4667","0.001","23.534","0.0016","90","","90","","90","","5711.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cl4 Hg2 N7 O0 -","- C25 H19 Cl4 Hg2 N7 -","- C200 H152 Cl32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0499","0.0312","","","0.0676","0.0789","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508629","17.1651","0.0008","14.7379","0.0007","23.655","0.0011","90","","90","","90","","5984.2","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Br4 Hg2 N7 O0 -","- C25 H19 Br4 Hg2 N7 -","- C200 H152 Br32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0759","0.0447","","","0.0954","0.1071","","","","","","1.009","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508630","17.755","0.003","15.139","0.003","24.304","0.005","90","","90","","90","","6533","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Hg2 I4 N7 O0 -","- C25 H19 Hg2 I4 N7 -","- C200 H152 Hg16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0652","0.0384","","","0.0838","0.0943","","","","","","0.987","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508631","25.2674","0.0001","11.5413","0.0002","26.7159","0.0001","90","","90","","90","","7790.85","0.14","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C68 H84 Cd4 N9 Na O33 -","- C68 H32 Cd4 N9 Na O33 -","- C272 H128 Cd16 N36 Na4 O132 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0625","0.0491","","","0.1258","0.1349","","","","","","1.159","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508632","25.126","0.005","11.532","0.002","26.628","0.005","90","","90","","90","","7716","2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C70 H88 Cd4 I N8 Na O30 -","- C70 H32 Cd4 I N8 Na O30 -","- C280 H128 Cd16 I4 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0669","0.0487","","","0.1436","0.151","","","","","","1.001","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508633","25.1011","0.0001","11.475","0.0001","26.559","0.0005","90","","90","","90","","7649.92","0.16","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C68 H84 Br Cd4 N8 Na O30 -","- C68 H48 Br Cd4 N8 Na O30 -","- C272 H192 Br4 Cd16 N32 Na4 O120 -","4","0.25","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0786","0.0475","","","0.1124","0.1304","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508634","13.3088","0.0003","13.3356","0.0003","13.7075","0.0001","69.329","0.001","85.595","0.001","62.947","0.001","2016.89","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H76 Cd4 N10 Na2 O26 S2 -","- C70 H56 Cd4 N10 Na2 O26 S2 -","- C70 H56 Cd4 N10 Na2 O26 S2 -","1","0.5","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0847","0.052","","","0.131","0.1566","","","","","","1.075","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4508635","11.303","","26.8081","0.001","24.337","0.001","90","","90","","90","","7374.4","0.4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H38 Cd2 Cl0.5 N4 Na0.5 O13 -","- C34 H24 Cd2 Cl0.5 N4 Na0.5 O13 -","- C272 H192 Cd16 Cl4 N32 Na4 O104 -","8","1","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.0587","0.0518","","","0.1318","0.1367","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508636","20.9727","0.0004","19.1255","0.0002","21.2366","0.0003","90","","90.802","0.001","90","","8517.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Cd4 N12 O31 -","- C74 H68 Cd4 N12 O31 -","- C296 H272 Cd16 N48 O124 -","4","1","","Wang, Ruihu; Yuan, Daqiang; Jiang, Feilong; Han, Lei; Gong, Yaqiong; Hong, Maochun","Anion Effect on the Structural Conformation of Tetranuclear Cadmium(II) Complexes","Crystal Growth & Design","2006","6","6","1351","","10.1021/cg0505970","","","0.71073","MoKα","","0.1021","0.0608","","","0.1377","0.1702","","","","","","1.131","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508637","6.4283","0.0005","9.0194","0.0007","13.3567","0.001","98.279","0.001","96.861","0.001","91.559","0.001","760.08","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H52 N8 O18 P4 Zn -","- C10 H52 N8 O18 P4 Zn -","- C10 H52 N8 O18 P4 Zn -","1","0.5","","Li, Ming; Chen, Shuoping; Xiang, Jiangfeng; He, Hanjiang; Yuan, Liangjie; Sun, Jutang","Synthesis, Characterization, and Thermal Study of a T4(2)6(2) Water Tape in a Proton-Transfer Salt Host","Crystal Growth & Design","2006","6","6","1250","","10.1021/cg050609h","","","0.71073","MoKα","","0.0277","0.0271","","","0.0802","0.0808","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508638","13.006","0.003","17.261","0.004","12.209","0.002","90","","129.12","0.03","90","","2126.4","1.2","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","Methyl p-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","","Vujovic, Dejana; Nassimbeni, Luigi R.","Methyl ParabenA New Polymorph?","Crystal Growth & Design","2006","6","7","1595","","10.1021/cg050639k","","","0.71073","MoKα","","0.0402","0.033","","","0.0857","0.0902","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508639","3.9139","0.0005","17.538","0.002","11.8693","0.0016","90","","90.079","0.004","90","","814.73","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Wishkerman, Sara; Bernstein, Joel; Stephens, Peter W.","Polymorphism in 4-Methoxy-3-nitrobenzaldehyde","Crystal Growth & Design","2006","6","6","1366","","10.1021/cg0506572","","","0.71073","MoKα","","0.0569","0.0417","","","0.1397","0.1536","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508640","5.3827","0.0001","6.9293","0.0002","9.4909","0.0002","75.219","0.002","83.95","0.002","83.355","0.002","338.918","0.014","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","- C10 H8 Cl4 N2 Pt -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.024","0.024","","","0.0659","0.0659","","","","","","1.083","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508641","6.1988","0.0011","14.139","0.003","7.77","0.0014","90","","96.826","0.003","90","","676.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 Cl2 N2 Pt -","- C10 H8 Br2 Cl2 N2 Pt -","- C20 H16 Br4 Cl4 N4 Pt2 -","2","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.038","0.0359","","","0.0952","0.0964","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508642","3.9039","0.0008","7.6551","0.0017","11.74","0.003","106.368","0.004","90.135","0.004","98.92","0.004","332.16","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.0606","0.0465","","","0.1081","0.1133","","","","","","1.039","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508643","5.4648","0.0011","6.96","0.0014","9.5925","0.0019","75.117","0.003","84.477","0.003","84.631","0.003","350.07","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","- C10 H8 Br2 Cl2 N2 Pd -","1","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.0411","0.0334","","","0.0951","0.1306","","","","","","1.241","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508644","7.905","0.003","12.629","0.005","8.764","0.003","90","","98.975","0.007","90","","864.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I4 N2 Pd -","- C10 H8 I4 N2 Pd -","- C20 H16 I8 N4 Pd2 -","2","0.5","","Zordan, Fiorenzo; Brammer, Lee","M−X···X‘−C Halogen-Bonded Network Formation in MX2(4-halopyridine)2Complexes (M = Pd, Pt; X = Cl, I; X‘ = Cl, Br, I)","Crystal Growth & Design","2006","6","6","1374","","10.1021/cg050670m","","","0.71073","MoKα","","0.054","0.033","","","0.0604","0.0656","","","","","","0.949","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508645","7.0119","0.0014","13.788","0.003","14.968","0.003","107.54","0.03","102.01","0.03","97.36","0.03","1321.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 O18 Pb6 -","- C56 H32 O18 Pb6 -","- C56 H32 O18 Pb6 -","1","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0595","0.0447","","","0.1284","0.1452","","","","","","0.963","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508646","6.4953","0.0013","20.559","0.004","9.1747","0.0018","90","","90","","90","","1225.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Ag2 O4 -","- C14 H8 Ag2 O4 -","- C56 H32 Ag8 O16 -","4","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0464","0.0437","","","0.1861","0.1925","","","","","","1.238","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508647","20.969","0.004","21.511","0.004","8.3076","0.0017","90","","103.97","0.03","90","","3636.4","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Nd2 O14 -","- C42 H28 Nd2 O14 -","- C168 H112 Nd8 O56 -","4","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0308","0.028","","","0.087","0.0908","","","","","","0.903","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508648","12.848","0.003","5.9592","0.0012","17.323","0.004","90","","104.06","0.03","90","","1286.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O5 Zn -","- C14 H10 O5 Zn -","- C56 H40 O20 Zn4 -","4","1","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0356","0.0305","","","0.0882","0.0927","","","","","","0.913","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508649","9.6427","0.0019","12.134","0.002","12.253","0.003","72.02","0.03","71.49","0.03","88.38","0.03","1289.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H36 Cd2 N4 O10 -","- C52 H36 Cd2 N4 O10 -","- C52 H36 Cd2 N4 O10 -","1","0.5","","Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli","Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid","Crystal Growth & Design","2006","6","9","2029","","10.1021/cg050671e","","","0.71073","MoKα","","0.0696","0.0612","","","0.2012","0.2086","","","","","","1.239","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508650","7.3471","0.0001","8.6909","0.0002","13.8638","0.0007","85.914","0.015","75.119","0.012","65.103","0.011","775.36","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co3 N2 O24 -","- C24 H32 Co3 N2 O24 -","- C24 H32 Co3 N2 O24 -","1","0.5","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.0588","0.0443","","","0.1012","0.1118","","","","","","1.039","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508651","7.1637","0.0005","10.014","0.003","12.3475","0.0007","70.188","0.01","88.077","0.015","80.202","0.013","820.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cu2 N O13 -","- C12 H17 Cu2 N O13 -","- C24 H34 Cu4 N2 O26 -","2","1","","Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers","Crystal Growth & Design","2006","6","5","1168","","10.1021/cg0506774","","","0.71073","MoKα","","0.0568","0.0406","","","0.1043","0.114","","","","","","1.056","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508652","16.464","0.007","14.907","0.006","31.124","0.013","90","","105.05","0.009","90","","7377","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 Cu2 N8 O23.5 S8 -","- C64 H46 Cu2 N8 O23.5 S8 -","- C256 H184 Cu8 N32 O94 S32 -","4","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.0852","0.0758","","","0.2164","0.2262","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508653","14.435","0.006","14.994","0.006","18.939","0.008","100.004","0.008","94.554","0.007","108.504","0.007","3788","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 Cu2 N8 O23 S8 -","- C72 H44 Cu2 N8 O23 S8 -","- C144 H88 Cu4 N16 O46 S16 -","2","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.1692","0.0784","","","0.2013","0.2551","","","","","","1.107","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508654","19.576","0.005","21.306","0.005","29.998","0.007","90","","90","","90","","12512","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H52 Co N6 O23 S8 -","- C60 H36 Co N6 O23 S8 -","- C480 H288 Co8 N48 O184 S64 -","8","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.1278","0.0631","","","0.1408","0.1938","","","","","","1.136","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508655","9.179","0.0007","8.7296","0.0007","19.4811","0.0015","90","","91.315","0.001","90","","1560.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Co N3 O6 -","- C15 H13 Co N3 O6 -","- C60 H52 Co4 N12 O24 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0542","0.0475","","","0.1043","0.1073","","","","","","1.112","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508656","9.1935","0.0009","8.8044","0.0009","19.555","0.002","90","","91.111","0.002","90","","1582.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O6 Zn -","- C15 H13 N3 O6 Zn -","- C60 H52 N12 O24 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0283","0.0265","","","0.0672","0.0682","","","","","","1.037","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508657","28.4154","0.0016","7.3477","0.0004","17.0939","0.001","90","","108.469","0.001","90","","3385.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N3 O8 Zn -","- C15 H17 N3 O8 Zn -","- C120 H136 N24 O64 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0253","0.024","","","0.0662","0.067","","","","","","1.072","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508658","7.8921","0.0011","10.213","0.0014","11.6733","0.0015","104.831","0.002","95.276","0.003","90.161","0.003","905.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Co N3 O9 -","- C15 H19 Co N3 O9 -","- C30 H38 Co2 N6 O18 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.1169","0.071","","","0.162","0.2042","","","","","","1.065","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508659","7.2357","0.0004","19.1593","0.0011","10.7206","0.0007","90","","104.729","0.001","90","","1437.37","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0303","0.0272","","","0.0698","0.0712","","","","","","1.045","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508660","24.139","0.002","9.1383","0.0008","8.2704","0.0008","90","","107.591","0.003","90","","1739.1","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H15 Cd N3 O8 -","- C15 H15 Cd N3 O8 -","- C60 H60 Cd4 N12 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0522","0.0461","","","0.1237","0.1295","","","","","","1.096","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508661","7.8756","0.0009","15.9779","0.0019","8.085","0.001","90","","114.554","0.002","90","","925.38","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.0182","0.0174","","","0.0418","0.0421","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508662","5.4085","0.0004","11.3846","0.0007","13.6955","0.0009","90","","94.129","0.001","90","","841.09","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.021","0.0198","","","0.0479","0.0485","","","","","","1.094","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508663","7.4469","0.0012","12.569","0.002","17.759","0.003","96.125","0.003","99.935","0.002","100.517","0.003","1593.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H10 La2 N6 O30 Zn3 -","- C42 H22 La2 N6 O36.2 Zn3 -","- C42 H22 La2 N6 O36.2 Zn3 -","1","0.5","","Li, Ming; Xiang, Jiangfeng; Yuan, Liangjie; Wu, Simin; Chen, Shuoping; Sun, Jutang","Syntheses, Structures, and Photoluminescence of Three Novel Coordination Polymers Constructed from Dimeric d10Metal Units","Crystal Growth & Design","2006","6","9","2036","","10.1021/cg060042k","","","0.71073","MoKα","","0.0719","0.0566","","","0.1382","0.1531","","","","","","0.942","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508664","6.3407","0.0007","25.017","0.003","12.4354","0.0013","90","","102.64","0.002","90","","1924.8","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Compound_10","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0912","0.0582","","","0.1292","0.142","","","","","","0.905","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508665","9.8752","0.0011","11.6167","0.0012","16.2401","0.0017","90","","90","","90","","1863","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Compound_12","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0534","0.0425","","","0.1025","0.1062","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508666","14.56","0.0013","15.007","0.0012","15.239","0.003","83.05","0.003","81.65","0.003","81.72","0.003","3243","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N30 O19 -","- C54 H66 N30 O19 -","- C108 H132 N60 O38 -","2","1","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71073","MoKα","","0.095","0.0657","","","0.1402","0.1469","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508667","31.3049","0.0017","12.034","0.0012","22.227","0.003","90","","110.43","0.003","90","","7846.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H160 Ag2 N62 O58 -","- C108 H160 Ag2 N62 O58 -","- C216 H320 Ag4 N124 O116 -","2","0.25","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71073","MoKα","","0.1015","0.0609","","","0.1256","0.1327","","","","","","1.089","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508668","13.716","0.017","14.257","0.011","18.69","0.03","81.43","0.09","76.57","0.11","83.52","0.09","3504","8","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Ag{Z2(H+)2}(cucurbituril)](NO3)3-10(H2O)","","- C56 H80 Ag N31 O31 -","- C56 H60 Ag N31 O31 -","- C112 H120 Ag2 N62 O62 -","2","1","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71075","MoKα","","0.1908","0.0621","","","0.1285","0.1569","","","","","","0.813","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508669","14.132","0.011","16.266","0.013","30.62","0.02","99.91","0.07","91.37","0.07","92.56","0.07","6923","9","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Ag{Z2(H+)2}(cucurbituril)](ClO4)3-6.5(H2O)","","- C56 H73 Ag Cl3 N28 O30.5 -","- C56 H60 Ag Cl3 N28 O30.5 -","- C224 H240 Ag4 Cl12 N112 O122 -","4","2","","Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu","Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril","Crystal Growth & Design","2006","6","6","1420","","10.1021/cg060062m","","","0.71075","MoKα","","0.1807","0.0582","","","0.0873","0.1006","","","","","","0.815","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508670","15.27","0.008","11.071","0.006","7.703","0.004","90","","90","","90","","1302.2","1.2","213","2","213","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C6 H5 I -","- C6 H5 I -","- C48 H40 I8 -","8","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0805","0.066","","","0.1666","0.1747","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508671","7.683","0.004","4.16","0.002","21.603","0.012","90","","92.528","0.012","90","","689.8","0.6","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 I N -","- C7 H4 I N -","- C28 H16 I4 N4 -","4","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0575","0.0377","","","0.071","0.0753","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508672","4.629","0.002","9.534","0.004","14.913","0.007","90","","90","","90","","658.2","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 I O -","- C6 H5 I O -","- C24 H20 I4 O4 -","4","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0248","0.0231","","","0.0588","0.0596","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508673","15.76","0.02","15.76","0.02","10.39","0.02","90","","90","","90","","2581","7","208","2","208","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H5 I O -","- C6 H5 I O -","- C96 H80 I16 O16 -","16","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0392","0.0322","","","0.0824","0.0873","","","","","","1.178","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508674","12.84","0.003","22.688","0.005","19.722","0.004","90","","104.54","0.03","90","","5561","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H79 Mo6 N3 O18 -","- C42 H79 Mo6 N3 O18 -","- C168 H316 Mo24 N12 O72 -","4","1","","Zhu, Yi; Xiao, Zicheng; Ge, Ning; Wang, Na; Wei, Yongge; Wang, Yuan","Naphthyl Amines as Novel Organoimido Ligands for Design of POM-Based Organic−Inorganic Hybrids: Synthesis, Structural Characterization, and Supramolecular Assembly of (Bu4N)2[Mo6O18N(Naph-1)]","Crystal Growth & Design","2006","6","7","1620","","10.1021/cg0600694","","","0.71073","MoKα","","0.1321","0.0352","","","0.0514","0.0607","","","","","","0.635","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508675","7.6049","0.0006","15.2204","0.0012","13.8276","0.0011","90","","90.828","0.001","90","","1600.4","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N4 S Zn -","- C13 H14 Cl2 N4 S Zn -","- C52 H56 Cl8 N16 S4 Zn4 -","4","1","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0327","0.0275","","","0.0676","0.0698","","","","","","1.048","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508676","14.5933","0.0013","5.7422","0.0005","23.212","0.002","90","","106.128","0.002","90","","1868.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 S3 Zn -","- C15 H14 N6 S3 Zn -","- C60 H56 N24 S12 Zn4 -","4","1","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.1161","0.0647","","","0.1313","0.1558","","","","","","1.007","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508677","9.428","0.004","22.396","0.009","7.908","0.003","90","","105.951","0.007","90","","1605.5","1.1","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H36 Cd Cl2 N8 O2 S2 -","- C28 H36 Cd Cl2 N8 O2 S2 -","- C56 H72 Cd2 Cl4 N16 O4 S4 -","2","0.25","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0395","0.034","","","0.0915","0.1056","","","","","","1.171","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508678","23.4096","0.0014","11.0338","0.0007","15.3731","0.0009","90","","126.411","0.001","90","","3195.6","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cd N10 S4 -","- C28 H28 Cd N10 S4 -","- C112 H112 Cd4 N40 S16 -","4","0.5","","Zhang, Xuanjun; Zhou, Xiao-Ping; Li, Dan","Anion-Directed Assembly of Macrocycle and Helix","Crystal Growth & Design","2006","6","6","1440","","10.1021/cg060076s","","","0.71073","MoKα","","0.0312","0.0285","","","0.0726","0.074","","","","","","1.04","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508679","9.207","0.006","9.775","0.006","10.656","0.006","106.63","0.01","95.219","0.011","113.286","0.01","821","0.9","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C20 H12 F2 N O3 -","- C20 H12 F2 N O3 -","- C40 H24 F4 N2 O6 -","2","1","","Chopra, Deepak; Guru Row, Tayur N.","Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine","Crystal Growth & Design","2006","6","6","1267","","10.1021/cg060082o","","","0.71073","MoKa","","0.0706","0.0518","","","0.1358","0.1487","","","","","","1.053","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508680","7.9036","0.0013","10.2216","0.0017","12.435","0.002","95.269","0.003","95.215","0.003","96.239","0.003","989.2","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F2 N O3 -","- C23 H17 F2 N O3 -","- C46 H34 F4 N2 O6 -","2","1","","Chopra, Deepak; Guru Row, Tayur N.","Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine","Crystal Growth & Design","2006","6","6","1267","","10.1021/cg060082o","","","0.71073","MoKα","","0.0917","0.0595","","","0.1301","0.1451","","","","","","1.071","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508681","8.345","0.001","6.4396","0.0008","18.615","0.003","90","","96.02","0.01","90","","994.8","0.2","213.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C36 H64 N4 O8 -","4","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.0521","","","","0.1386","","","","","","1.161","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508682","17.146","0.004","6.448","0.001","22.899","0.005","90","","89.73","0.02","90","","2531.6","0.9","297.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N O2 -","- C12 H18 N O2 -","- C96 H144 N8 O16 -","8","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.1182","","","","0.3328","","","","","","1.619","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508683","17.87","0.003","6.2519","0.0009","18.688","0.003","90","","111.01","0.01","90","","1949","0.5","213.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O4 -","- C18 H32 N2 O4 -","- C72 H128 N8 O16 -","4","1","","Yuge, Tetsuharu; Miyata, Mikiji; Tohnai, Norimitsu","Novel Design of Tunable Organic Clay Mimic Structures Based on the Connection of One-Dimensional Supramolecular Synthons","Crystal Growth & Design","2006","6","6","1271","","10.1021/cg0600851","","","1.5419","CuKα","","","0.0527","","","","0.1391","","","","","","1.104","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508684","7.8264","0.0013","10.0763","0.0016","14.114","0.002","70.216","0.003","75.354","0.003","81.848","0.003","1011.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H29 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","- C37 H25 Cu2 F12 N7 O6 P2 -","1","1","","Wang, Pingshan; Moorefield, Charles N.; Panzner, Matthew; Newkome, George R.","TerpyridineCuIIPolycarboxylate Crystal Reorganization to One- and Two-Dimensional Nanostructures: Crystal Disassembly and Reassembly","Crystal Growth & Design","2006","6","7","1563","","10.1021/cg060086t","","","0.71073","MoKα","","0.0647","0.0562","","","0.1278","0.133","","","","","","1.05","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508685","12.603","0.003","10.602","0.002","25.621","0.006","90","","95.971","0.004","90","","3404.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu2 N6 O13 -","- C31 H22 Cu2 N6 O13 -","- C124 H88 Cu8 N24 O52 -","4","1","","Wang, Pingshan; Moorefield, Charles N.; Panzner, Matthew; Newkome, George R.","TerpyridineCuIIPolycarboxylate Crystal Reorganization to One- and Two-Dimensional Nanostructures: Crystal Disassembly and Reassembly","Crystal Growth & Design","2006","6","7","1563","","10.1021/cg060086t","","","0.71073","MoKα","","0.0962","0.0621","","","0.1358","0.1474","","","","","","1.033","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508686","7.3361","0.001","10.7496","0.0015","14.028","0.002","90","","90.778","0.003","90","","1106.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","","Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed","Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network","Crystal Growth & Design","2006","6","6","1453","","10.1021/cg060087l","","","0.71073","MoKα","","0.0596","0.0508","","","0.1074","0.1114","","","","","","1.115","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508687","14.04","0.003","14.345","0.003","27.756","0.005","90","","90","","90","","5590","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N5 O10 Zn2 -","- C25 H25 N5 O10 Zn2 -","- C200 H200 N40 O80 Zn16 -","8","1","","Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed","Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network","Crystal Growth & Design","2006","6","6","1453","","10.1021/cg060087l","","","0.71073","MoKα","","0.1045","0.0707","","","0.1738","0.2027","","","","","","0.913","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508688","16.388","0.008","23.059","0.009","9.008","0.006","90","","90","","90","","3404","3","296.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H12 Cu2 Mo N12 -","- C8 H12 Cu2 Mo N12 -","- C64 H96 Cu16 Mo8 N96 -","8","0.5","","Hozumi, Toshiya; Nuida, Tomohiro; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi","Crystal Structure and Nonlinear Optical Effect of a Pyroelectric Crystal Composed of a Cyano-Bridged Cu−Mo Assembly","Crystal Growth & Design","2006","6","8","1736","","10.1021/cg060093h","","","0.71075","MoKα","","","0.0185","","","","0.0409","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508689","4.535","0.002","17.557","0.003","24.498","0.005","90","","90","","90","","1950.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1207","0.0358","","","0.0539","0.0619","","","","","","0.634","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508690","8.954","0.002","9.943","0.002","14.841","0.003","90.99","0.02","97.6","0.02","105.38","0.02","1260.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro 1,4-Dioxane clathrate","","- C27 H27 N3 O7 -","- C27 H27 N3 O7 -","- C54 H54 N6 O14 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1011","0.0479","","","0.1128","0.1332","","","","","","0.802","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508691","20.256","0.004","17.013","0.003","7.942","0.002","90","","107.56","0.02","90","","2609.4","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 2-Salicylaldehyde clathrate","","- C30 H25 N3 O7 -","- C30 H25 N3 O7 -","- C120 H100 N12 O28 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.0709","0.0463","","","0.1035","0.1207","","","","","","1","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508692","13.486","0.003","12.28","0.003","12.404","0.003","90","","92.69","0.02","90","","2051.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-2-yl]-4-nitro-imidazolium hydrate","","- C23 H19 N3 O5.18 -","- C23 H19 N3 O5.185 -","- C92 H76 N12 O20.74 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1026","0.0402","","","0.086","0.0949","","","","","","0.756","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508693","6.63","0.002","8.975","0.002","16.408","0.003","88.73","0.01","89.67","0.01","79.51","0.01","959.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C46 H38 N6 O6 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.098","0.0489","","","0.1183","0.1362","","","","","","0.925","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508694","8.095","0.002","9.525","0.002","14.306","0.003","93.67","0.01","96.6","0.01","96.91","0.01","1084.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 1,4-Dioxane chlathrate","","- C25 H23 N3 O4 -","- C25 H23 N3 O4 -","- C50 H46 N6 O8 -","2","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.0741","0.0494","","","0.1427","0.1528","","","","","","1.023","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508695","11.682","0.002","16.8","0.003","12.929","0.003","90","","105.4","0.03","90","","2446.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O4 Zn -","- C28 H18 N2 O4 Zn -","- C112 H72 N8 O16 Zn4 -","4","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo; Xu, Lin","Supramolecular Self-Assembly of Zigzag Coordination Polymer Chains: A Fascinating Three-Dimensional Polycatenated Network Featuring an Uneven “Density of Catenations” and a Three-Dimensional Porous Network","Crystal Growth & Design","2006","6","9","2061","","10.1021/cg0600997","","","0.71073","MoKα","","0.0805","0.0543","","","0.1241","0.1369","","","","","","1.045","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508696","10.257","0.002","18.988","0.004","15.296","0.003","90","","105.51","0.03","90","","2870.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cd N2 O6 -","- C28 H22 Cd N2 O6 -","- C112 H88 Cd4 N8 O24 -","4","1","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo; Xu, Lin","Supramolecular Self-Assembly of Zigzag Coordination Polymer Chains: A Fascinating Three-Dimensional Polycatenated Network Featuring an Uneven “Density of Catenations” and a Three-Dimensional Porous Network","Crystal Growth & Design","2006","6","9","2061","","10.1021/cg0600997","","","0.71073","MoKα","","0.0808","0.052","","","0.1249","0.1393","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508697","12.762","0.003","12.001","0.002","12.175","0.002","90","","117.98","0.02","90","","1646.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-Imidazole, 2,2'-(1,4-phenylene)bis[1-methyl-4,5-diphenyl] Methanol chlathrate","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C80 H76 N8 O4 -","2","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.2159","0.0507","","","0.0934","0.1142","","","","","","0.729","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508698","20.254","0.004","11.561","0.002","30.395","0.006","90","","99.89","0.02","90","","7011","2","230","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl]-(8CI)","","- C38 H34 N6 O2 S -","- C38 H34 N6 O2 S -","- C304 H272 N48 O16 S8 -","8","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.0948","0.0516","","","0.1192","0.1327","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508699","11.057","0.002","12.024","0.002","13.433","0.003","74.34","0.02","83.28","0.02","84.33","0.02","1703.6","0.6","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] with acetic acid","","- C39 H32 N4 O5 S -","- C39 H32 N4 O5 S -","- C78 H64 N8 O10 S2 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1259","0.0573","","","0.1591","0.1745","","","","","","0.905","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508700","17.143","0.003","19.147","0.004","11.536","0.002","90","","96.79","0.02","90","0.002","3760","1.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] DMF dihydrate","","- C40 H24 N6 O4 S -","- C40 H24 N6 O4 S -","- C160 H96 N24 O16 S4 -","4","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.18","0.0876","","","0.2167","0.2557","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508701","23.728","0.005","9.962","0.002","12.387","0.002","90","","104.43","0.02","90","","2835.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1H-Imidazole, 2,2'-(2,5-thiophenediyl)bis[1-methyl-4,5-diphenyl]","","- C36 H28 N4 S -","- C36 H28 N4 S -","- C144 H112 N16 S4 -","4","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.0795","0.0439","","","0.0995","0.1074","","","","","","0.896","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508702","10.121","0.002","14.163","0.003","15.828","0.003","66.47","0.01","82.71","0.02","69.57","0.01","1949.1","0.7","230","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-(1,4-phenylene)bis[4,5-diphenyl-1H-imidazole] (9CI) Acetic acid clathrate","","- C44 H42 N4 O8 -","- C44 H42 N4 O8 -","- C88 H84 N8 O16 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1267","0.0515","","","0.1023","0.1182","","","","","","0.904","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508703","6.216","0.002","17.198","0.003","16.983","0.003","90","","93.35","0.02","90","","1812.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,4-phenylene)bis[4,5-diphenyl-1H-imidazole] (9CI) DMF chlathrate","","- C42 H40 N6 O2 -","- C42 H26 N6 O2 -","- C84 H52 N12 O4 -","2","0.5","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1232","0.0566","","","0.1667","0.1837","","","","","","0.903","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508704","10.671","0.002","12.175","0.002","18.115","0.004","70.58","0.01","87.17","0.02","68.83","0.01","2063.1","0.7","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","1H-imidazol, 2,2'-[1,4-phenylene)bis[(4-methoxyphenyl)","","- C43 H40 N5 O10 -","- C43 H40 N5 O10 -","- C86 H80 N10 O20 -","2","1","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.1397","0.0698","","","0.1996","0.2225","","","","","","0.929","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508705","17.535","0.003","25.094","0.005","20.924","0.004","90","","113.45","0.02","90","","8447","3","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1H-Imidazol, 2,2'-(2,5-thiophenediyl)bis[4,5-bis(4-methoxyphenyl)]","","- C44 H48 N4 O8 S -","- C44 H48 N4 O8 S -","- C352 H384 N32 O64 S8 -","8","2","","Fridman, N.; Speiser, S.; Kaftory, M.","Structures and Chromogenic Properties of Bisimidazole Derivatives","Crystal Growth & Design","2006","6","7","1653","","10.1021/cg060107j","","","0.71073","MoKα","","0.172","0.0423","","","0.0741","0.0864","","","","","","0.72","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508706","11.2128","0.0009","5.9293","0.0005","22.0413","0.0019","90","","95.928","0.002","90","","1457.6","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C72 H48 B8 O16 -","4","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0512","0.0414","","","0.0956","0.0986","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508707","5.884","0.0011","6.1283","0.0012","15.614","0.003","83.34","0.004","88.191","0.004","68.8","0.003","521.35","0.17","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","1","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0404","0.0359","","","0.089","0.0921","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508708","6.3967","0.0005","6.9843","0.0006","12.2171","0.001","95.919","0.001","104.683","0.001","96.679","0.001","519.39","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","- C24 H24 B2 O6 -","1","0.5","","Niu, Weijun; Smith, Mark D.; Lavigne, John J.","Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s Derived from 1,2,4,5-Tetrahydroxybenzene","Crystal Growth & Design","2006","6","6","1274","","10.1021/cg0601148","","","0.71073","MoKα","","0.0385","0.0362","","","0.0951","0.0972","","","","","","1.091","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508709","6.446","0.005","8.022","0.006","11.991","0.008","90","","104.51","0.011","90","","600.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-amino-2-chloropyridine","3-amino-2-chloropyridine","","- C5 H5 Cl N2 -","- C5 H5 Cl N2 -","- C20 H20 Cl4 N8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0571","0.0429","","","0.1117","0.1222","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508710","11.5563","0.0012","12.7285","0.0013","3.8875","0.0004","90","","90","","90","","571.83","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-bromo-3-hydroxypyridine","2-bromo-3-hydroxypyridine","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C20 H16 Br4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0207","0.0198","","","0.0502","0.0507","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508711","23.069","0.004","25.231","0.004","3.8429","0.0006","90","","90","","90","","2236.8","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","2-chloro-3-pyridinol","2-chloro-3-pyridinol","","- C5 H4 Cl N O -","- C5 H4 Cl N O -","- C80 H64 Cl16 N16 O16 -","16","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0308","0.0295","","","0.0756","0.0764","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508712","11.5329","0.0011","12.8331","0.0012","4.2475","0.0004","90","","90","","90","","628.64","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-iodo-3-hydroxypyridine","2-iodo-3-hydroxypyridine","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0173","0.0172","","","0.0456","0.0457","","","","","","1.231","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508713","11.053","0.002","9.6151","0.0019","11.316","0.002","90","","100.64","0.03","90","","1181.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-hydroxy-2-methylpyridine","3-hydroxy-2-methylpyridine","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.2062","0.1495","","","0.2791","0.305","","","","","","1.323","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508714","3.8571","0.0005","12.3235","0.0015","12.5884","0.0015","90","","90","","90","","598.36","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O2 -","- C6.66667 H5.33333 Br1.33333 N1.33333 O2.66667 -","- C20 H16 Br4 N4 O8 -","3","0.75","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0275","0.0252","","","0.0584","0.0589","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508715","11.2712","0.0014","12.7754","0.0016","3.7794","0.0005","90","","90","","90","","544.21","0.12","100","","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-hydroxypyridine-N-oxide","2-chloro-3-hydroxypyridine-N-oxide","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0294","0.0266","","","0.0607","0.0617","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508716","6.3536","0.0008","6.5014","0.0008","6.9499","0.0008","113.794","0.002","99.65","0.002","106.93","0.002","237.59","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","3-hydroxypyridine-N-oxide","3-hydroxypyridine-N-oxide","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C10 H10 N2 O4 -","2","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0416","0.0398","","","0.1037","0.1055","","","","","","1.115","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508717","4.6258","0.0009","10.3353","0.0019","12.677","0.002","90","","99.27","0.003","90","","598.16","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Hydroxy-2-methylpyridine-N-oxide","3-Hydroxy-2-methylpyridine-N-oxide","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0823","0.0487","","","0.1181","0.1346","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508718","7.9689","0.0005","13.1908","0.0008","11.6096","0.0007","90","","104.686","0.001","90","","1180.49","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-amino-2-bromopyridine","3-amino-2-bromopyridine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C40 H40 Br8 N16 -","8","4","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0584","0.0588","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508719","16.5263","0.0016","6.073","0.0006","9.0693","0.0009","90","","100.973","0.002","90","","893.59","0.15","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(p-tolylethyl)benzene","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study","Crystal Growth & Design","2006","6","6","1479","","10.1021/cg060118c","","","0.71073","MoKα","","0.0658","0.0527","","","0.1691","0.1795","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508720","8.3981","0.0004","8.6539","0.0005","17.9261","0.0009","98.837","0.001","97.208","0.001","103.312","0.001","1235.1","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","((eta2/eta2-(1,4-Bis(p-tolylethyl)benzene)- bis[tetra(mu2-trifluoroacetato-O,O')-dirhodium (II,II)]","","- C40 H26 F24 O16 Rh4 -","- C40 H26 F24 O16 Rh4 -","- C40 H26 F24 O16 Rh4 -","1","0.5","","Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study","Crystal Growth & Design","2006","6","6","1479","","10.1021/cg060118c","","","0.71073","MoKα","","0.0401","0.0321","","","0.077","0.0811","","","","","","1.042","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508721","7.338","0.0007","12.1335","0.0012","10.6396","0.001","90","","94.978","0.002","90","","943.73","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","05249a","N,N-dimethylpiperidinium iodide","","- C7 H16 I N -","- C7 H16 I N -","- C28 H64 I4 N4 -","4","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.","Crystal Packing, Steric Effects, and Heteroatoms: Comparison of N,N-Dimethylpyrrolidinium, Piperidinium, and Morpholinium Iodide Salts","Crystal Growth & Design","2006","6","7","1645","1648","10.1021/cg0601249","","","0.71073","MoKα","","0.0179","0.0153","","","0.0377","0.0387","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508722","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508723","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508724","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508725","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508726","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508727","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508728","30.675","0.006","11.218","0.002","22.323","0.005","90","","113.729","0.006","90","","7032","2","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.25 H37.5 O12 S -","- C35.25 H37.5 O12.0625 S -","- C282 H300 O96.5 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0637","0.0606","","","0.169","0.1723","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508729","30.896","0.003","10.9667","0.0011","22.408","0.002","90","","111.469","0.002","90","","7065.6","1.2","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.75 H35.75 N0.88 O11.38 S -","- C35.8125 H35.75 N0.8125 O11.375 S -","- C286.5 H286 N6.5 O91 S8 -","8","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.101","0.0783","","","0.2127","0.2344","","","","","","1.041","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508730","15.966","0.003","11.068","0.003","22.264","0.005","90","","108.676","0.004","90","","3727.1","1.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36 H42 O13.25 S -","- C36 H42 O13.25 S -","- C144 H168 O53 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Subtle Crossover from C−H···O to SO···CO Short Contacts in the Association of Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate upon Formation of Pseudopolymorphs","Crystal Growth & Design","2006","6","6","1485","","10.1021/cg060127l","","","0.71073","MoKα","","0.0992","0.0704","","","0.1771","0.1975","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508731","10.6431","0.0011","13.1303","0.0014","27.821","0.003","82.913","0.013","84.926","0.013","71.503","0.012","3653.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(bipy)}2{Au(CN)2}](ClO4)","","","- C33 H31.5 Au Cl Cu2 N6.5 O8 -","- C33 H31.5 Au Cl Cu2 N6.5 O8 -","- C132 H126 Au4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.71073","MoKα","","0.0662","0.0509","","","0.118","0.124","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508732","10.5948","0.0011","13.1741","0.0013","27.89","0.003","82.883","0.013","85.199","0.013","71.672","0.012","3662.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(bipy)}2{Ag(CN)2}](ClO4)","","","- C33 H31.5 Ag Cl Cu2 N6.5 O8 -","- C33 H31.5 Ag Cl Cu2 N6.5 O8 -","- C132 H126 Ag4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.71073","MoKα","","0.0763","0.0437","","","0.097","0.1075","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508733","11.2946","0.001","13.2756","0.0011","28.455","0.003","82.17","0.011","81.393","0.012","69.467","0.01","3934.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Ag(CN)2}](ClO4)","","","- C36 H30 Ag Cl Cu2 N6 O8 -","- C36 H30 Ag Cl Cu2 N6 O8 -","- C144 H120 Ag4 Cl4 Cu8 N24 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1202","0.0575","","","0.1331","0.1571","","","","","","0.89","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508734","12.2575","0.0013","13.6244","0.0008","23.0234","0.0017","90.406","0.006","100.333","0.008","94.192","0.005","3771.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Au(CN)2}](ClO4)","","","- C36 H30 Au Cl Cu2 N6 O8 -","- C36 H30 Au Cl Cu2 N6 O8 -","- C144 H120 Au4 Cl4 Cu8 N24 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1556","0.0529","","","0.0931","0.1166","","","","","","0.974","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508735","11.1506","0.0012","13.4704","0.0012","28.35","0.003","83.315","0.008","82.568","0.008","68.127","0.008","3907.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{Cu(acac)(phen)}2{Au(CN)2}](ClO4)","","","- C37 H31.5 Au Cl Cu2 N6.5 O8 -","- C37 H31.5 Au Cl Cu2 N6.5 O8 -","- C148 H126 Au4 Cl4 Cu8 N26 O32 -","4","2","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.145","0.058","","","0.1132","0.1361","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508736","20.2704","0.0008","10.254","0.0004","17.732","0.0008","90","","94.988","0.003","90","","3671.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Cu(sal)(bipy)}{Ag(CN)2}]","","","- C19 H13 Ag Cu N4 O2 -","- C19 H13 Ag Cu N4 O2 -","- C152 H104 Ag8 Cu8 N32 O16 -","8","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Rational Design of Supramolecular Gridlike Layers and Zigzag Chains through a Unique Interplay of d10−d10and π−π Stacking Interactions","Crystal Growth & Design","2006","6","7","1671","","10.1021/cg060131x","","","0.7107","MoKα","","0.1172","0.0384","","","0.0568","0.0697","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4508737","20.0353","0.0011","9.0755","0.0005","21.8692","0.0012","90","","96.769","0.002","90","","3948.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H65 Cl8 N22 O5.5 Zn4 -","- C62 H56 Cl8 N22 O5.5 Zn4 -","- C124 H112 Cl16 N44 O11 Zn8 -","2","0.5","","Mooibroek, Tiddo J.; Teat, Simon J.; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Crystallographic and Theoretical Evidence of Acetonitrile−π Interactions with the Electron-Deficient 1,3,5-Triazine Ring","Crystal Growth & Design","2006","6","7","1569","","10.1021/cg060144a","","","0.6894","synchrotron","","0.083","0.0706","","","0.1985","0.2064","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508738","11.025","0.0001","25.8624","0.0004","24.504","0.0004","90","","99.042","0.001","90","","6900.07","0.17","295","1","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H57 Cl12 N4 O8 P -","- C65 H57 Cl12 N4 O8 P -","- C260 H228 Cl48 N16 O32 P4 -","4","1","","Sénéchal-David, Katell; Toupet, Loïc; Maury, Olivier; Le Bozec, Hubert","Supramolecular Solid-State Interactions between Helicene-like Terpyridinium Cation and Tris(tetrachloro-benzenediolato)phosphate(V) (TRISPHAT) Anion","Crystal Growth & Design","2006","6","6","1493","","10.1021/cg060147n","","","0.71069","MoKα","","0.1432","0.0847","","","0.2228","0.2571","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508739","6.7508","0.0002","8.3046","0.0003","10.8924","0.0004","87.794","0.002","83.849","0.002","83.473","0.002","602.99","0.04","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C14 H18 Ag2 F8 O8 S4 -","- C14 H18 Ag2 F8 O8 S4 -","- C14 H18 Ag2 F8 O8 S4 -","1","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0356","0.0337","","","0.0919","0.0946","","","","","","0.808","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508740","8.9793","0.0002","16.7321","0.0004","21.4072","0.0005","90","","90","","90","","3216.27","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ag2 N2 O6 S4 -","- C6 H16 Ag2 N2 O6 S4 -","- C48 H128 Ag16 N16 O48 S32 -","8","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0688","0.0531","","","0.1247","0.13","","","","","","0.996","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508741","20.8995","0.0001","8.8901","0.0001","9.4567","0.0001","90","","90","","90","","1757.04","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 Ag2 Cl2 O8 S4 -","- C6 H16 Ag2 Cl2 O8 S4 -","- C24 H64 Ag8 Cl8 O32 S16 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0457","0.0451","","","0.1122","0.1124","","","","","","1.017","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508742","18.0705","0.0002","11.3354","0.0001","8.5295","0.0001","90","","93.624","0.001","90","","1743.66","0.03","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ag2 Cl2 O8 S4 -","- C6 H16 Ag2 Cl2 O8 S4 -","- C24 H64 Ag8 Cl8 O32 S16 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0428","0.0378","","","0.0884","0.0906","","","","","","0.994","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508743","10.992","0.0001","8.7129","0.0001","28.4137","0.0003","90","","90","","90","","2721.24","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Ag2 O6 S6 -","- C20 H30 Ag2 O6 S6 -","- C80 H120 Ag8 O24 S24 -","4","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0347","0.0311","","","0.0776","0.0793","","","","","","1.013","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508744","10.4756","0.0002","10.8952","0.0002","8.9067","0.0001","90","","90","","90","","1016.56","0.03","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C5 H8 Ag F3 O2 S2 -","- C5 H8 Ag F3 O2 S2 -","- C20 H32 Ag4 F12 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0695","0.0682","","","0.1595","0.1607","","","","","","1.115","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508745","10.7139","0.0001","13.4083","0.0002","8.9523","0.0001","90","","90","","90","","1286.04","0.03","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","P c a 21","P 2c -2ac","29","","","","- C7 H8 Ag F7 O2 S2 -","- C7 H8 Ag F7 O2 S2 -","- C28 H32 Ag4 F28 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0485","0.0459","","","0.1087","0.11","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508746","9.0925","0.0001","21.6699","0.0003","11.0192","0.0002","90","","90.147","0.001","90","","2171.15","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Ag2 F6 O6 S6 -","- C8 H16 Ag2 F6 O6 S6 -","- C32 H64 Ag8 F24 O24 S24 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0269","0.0244","","","0.0643","0.0658","","","","","","1.031","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508747","6.8647","0.0001","7.6822","0.0001","12.3591","0.0002","78.926","0.001","87.441","0.001","74.335","0.001","615.858","0.016","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C10 H13 Ag O2 S2 -","- C10 H13 Ag O2 S2 -","- C20 H26 Ag2 O4 S4 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0315","0.0305","","","0.0798","0.0806","","","","","","0.987","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508748","9.6279","0.0005","7.4958","0.0004","13.572","0.0007","90","","91.702","0.002","90","","979.04","0.09","200","2","200","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Ag O3 S3 -","- C4 H11 Ag O3 S3 -","- C16 H44 Ag4 O12 S12 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.027","0.0262","","","0.0732","0.0737","","","","","","1.08","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508749","6.0656","0.0012","7.3703","0.0015","8.6387","0.0017","100.94","0.03","95.16","0.03","112.1","0.03","345.75","0.16","85","2","85","2","","","","","","","","5","P -1","-P 1","2","CuBr2(2-BrPy)2","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","1","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0362","0.0346","","","0.0915","0.0926","","","","","","1.064","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508750","8.49","0.0017","6.3858","0.0013","12.712","0.003","90","","96.46","0.03","90","","684.8","0.3","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-BrPyH)2CuCl2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0291","0.0249","","","0.0614","0.063","","","","","","1.084","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508751","3.9355","0.0016","13.929","0.006","12.236","0.005","90","","90.337","0.009","90","","670.7","0.5","81","2","81","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-Brpy)2CuBr2","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0467","0.0438","","","0.1125","0.1144","","","","","","1.095","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508752","9.575","0.002","13.793","0.002","10.567","0.002","90","","106.02","0.02","90","","1341.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Zinc(II)]","","- C14 H12 N2 O4 Zn -","- C14 H12 N2 O4 Zn -","- C56 H48 N8 O16 Zn4 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0813","0.0467","","","0.0913","0.0983","","","","","","0.882","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508753","9.485","0.003","13.935","0.004","10.987","0.003","90","","105.22","0.03","90","","1401.3","0.7","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Manganese(II)]","","- C14 H12 Mn N2 O4 -","- C14 H12 Mn N2 O4 -","- C56 H48 Mn4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1292","0.0466","","","0.0708","0.0847","","","","","","0.757","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508754","9.57","0.001","13.777","0.001","10.82","0.001","90","","106.01","0.01","90","","1371.2","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Iron(II)]","","- C14 H12 Fe N2 O4 -","- C14 H12 Fe N2 O4 -","- C56 H48 Fe4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1064","0.0525","","","0.1191","0.1366","","","","","","0.965","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508755","9.517","0.003","13.406","0.003","10.877","0.003","90","","106.2","0.03","90","","1332.6","0.7","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethane)Copper(II)]","","- C14 H12 Cu N2 O4 -","- C14 H12 Cu N2 O4 -","- C56 H48 Cu4 N8 O16 -","4","0.5","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0856","0.0437","","","0.1187","0.1253","","","","","","0.842","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508756","5.377","0.002","10.198","0.004","13.688","0.005","90","","90","","90","","750.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Zinc(II)]","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C28 H20 N4 O8 Zn2 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.1077","0.0625","","","0.1113","0.1269","","","","","","0.778","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508757","5.4","0.001","10.157","0.002","13.631","0.002","90","","90","","90","","747.6","0.2","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Cobalt(II)]","","- C14 H10 Co N2 O4 -","- C14 H10 Co N2 O4 -","- C28 H20 Co2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0639","0.06","","","0.1628","0.1669","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508758","5.489","0.001","10.153","0.003","13.777","0.004","90","","90","","90","","767.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)Iron(II)]","","- C14 H10 Fe N2 O4 -","- C14 H10 Fe N2 O4 -","- C28 H20 Fe2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0827","0.0604","","","0.1531","0.1618","","","","","","0.957","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508759","5.51","0.002","10.242","0.003","13.436","0.004","90","","90","","90","","758.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","I m m m","-I 2 2","71","","catena-[(mu-oxalato)(mu-1,2-bis(4-pyridyl)ethylene)copper(II)]","","- C14 H10 Cu N2 O4 -","- C14 H10 Cu N2 O4 -","- C28 H20 Cu2 N4 O8 -","2","0.125","","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; García-Terán, Juan P.; Beobide, Garikoitz; Román, Pascual","Rational Design of 2D Magnetic Metal−Organic Coordination Polymers Assembled from Oxalato and Dipyridyl Spacers","Crystal Growth & Design","2006","6","8","1839","","10.1021/cg0601608","","","0.71073","MoKα","","0.0919","0.0452","","","0.0858","0.0919","","","","","","0.835","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508760","12.8483","0.0009","13.6336","0.001","19.7751","0.0014","106.23","0.001","96.082","0.001","99.37","0.001","3239.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H70 Mo20 N14 O113 P8 -","- C42 H70 Mo20 N14 O113 P8 -","- C42 H70 Mo20 N14 O113 P8 -","1","0.5","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0395","0.0367","","","0.1007","0.1041","","","","","","1.054","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508761","12.3467","0.0017","18.251","0.002","15.975","0.002","90","","111.794","0.002","90","","3342.5","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Mo5 N4 O27 P2 -","- C12 H30 Mo5 N4 O27 P2 -","- C48 H120 Mo20 N16 O108 P8 -","4","0.5","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0401","0.0333","","","0.0689","0.0714","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508762","14.9375","0.0015","7.8764","0.0008","31.028","0.003","90","","100.423","0.002","90","","3590.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Mo5 N6 O26 P2 -","- C18 H36 Mo5 N6 O26 P2 -","- C72 H144 Mo20 N24 O104 P8 -","4","1","","Upreti, Shailesh; Ramanan, A.","Role of Hydrogen-Bonded Interactions in the Crystal Packing of Phenylenediammonium Phosphomolybdates","Crystal Growth & Design","2006","6","9","2066","","10.1021/cg0601610","","","0.71073","MoKα","","0.0361","0.0325","","","0.0759","0.0777","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508763","12.6847","0.0009","12.6847","0.0009","5.1536","0.0007","90","","90","","120","","718.13","0.12","98","2","98","2","","","","","","","","4","P 63","P 6c","173","","","","- Al Na O6 Si -","- Al Na1.33333 O4.33333 Si -","- Al6 Na8 O26 Si6 -","6","1","","Vaughan, D. E. W.; Yennawar, H. P.; Perrotta, A. J.","Synthesis and Structure of Large Optically Clear Crystals of Gallogermanate Sodalite","Crystal Growth & Design","2006","6","9","2072","","10.1021/cg060164c","","","0.71073","MoKα","","0.0914","0.0913","","","0.2469","0.2469","","","","","","1.225","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508764","11.1187","0.0017","16.862","0.003","18.577","0.005","90","","90","","90","","3482.9","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C112 H216 N24 O32 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0694","0.0443","","","0.0951","0.1068","","","","","","1.022","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508765","9.83","0.0018","9.83","0.0018","37.502","0.008","90","","90","","90","","3623.8","1.2","233","2","233","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H29 N3 O4.5 -","- C14 H29 N3 O4.5 -","- C112 H232 N24 O36 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0837","0.0768","","","0.2237","0.2326","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508766","5.8674","0.0017","15.725","0.004","12.174","0.003","90","","102.399","0.004","90","","1097","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 F5 N3 O5 -","- C19 H26 F5 N3 O5 -","- C38 H52 F10 N6 O10 -","2","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0823","0.0545","","","0.115","0.1287","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508767","9.8833","0.0013","11.4815","0.0016","15.678","0.002","90","","90","","90","","1779.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 N3 O4 -","- C14 H29 N3 O4 -","- C56 H116 N12 O16 -","4","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0806","0.0718","","","0.2032","0.2148","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508768","17.47","0.003","6.9365","0.0006","18.096","0.002","90","","114.308","0.004","90","","1998.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Gd5 K3 O24 P6 -","- Gd5 K3 O24 P6 -","- Gd20 K12 O96 P24 -","4","0.5","","Zhu, Jing; Cheng, Wen-Dan; Wu, Dong-Sheng; Zhang, Hao; Gong, Ya-Jing; Tong, Hua-Nan; Zhao, Dan","Potassium Gadolinium Phosphate with a Tunnel Structure: Synthesis, Structure, and Optical Properties of K3Gd5(PO4)6","Crystal Growth & Design","2006","6","7","1649","","10.1021/cg0601711","","","0.71073","MoKα","","0.0345","0.0284","","","0.0627","0.0657","","","","","","1.006","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508769","6.7176","0.0002","6.7638","0.0002","8.6217","0.0003","95.355","0.001","99.686","0.001","98.879","0.001","378.66","0.02","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C12 H24 O12 -","2","1","","Day, Graeme M.; van de Streek, Jacco; Bonnet, Arnaud; Burley, Jonathan C.; Jones, William; Motherwell, W. D. Sam","Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs","Crystal Growth & Design","2006","6","10","2301","","10.1021/cg060179a","","","0.71073","MoKα","","0.039","0.0335","","","0.0873","0.0909","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508770","11.7434","0.0007","9.4784","0.0005","27.8123","0.0016","90","","97.003","0.001","90","","3072.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cd N3 O8 -","- C37 H28 Cd N3 O8 -","- C148 H112 Cd4 N12 O32 -","4","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0566","0.0416","","","0.0874","0.0928","","","","","","1.005","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508771","31.0998","0.0015","24.0457","0.0012","23.0064","0.0011","90","","131.42","0.001","90","","12901.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H48.5 Cd3 N4 O17.25 -","- C68 H48.5 Cd3 N4 O17.25 -","- C544 H388 Cd24 N32 O138 -","8","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0479","0.0371","","","0.1047","0.1097","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508772","12.8165","0.0008","14.9807","0.0009","14.9864","0.0009","118.8","0.001","101.904","0.001","95.427","0.001","2403.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Cd3 N2 O13 -","- C56 H36 Cd3 N2 O13 -","- C112 H72 Cd6 N4 O26 -","2","1","","Zhang, Ling-Yun; Zhang, Jie-Peng; Lin, Yan-Yong; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescence of Three Coordination Polymers of Cadmium Dicarboxylates","Crystal Growth & Design","2006","6","7","1684","","10.1021/cg060194f","","","0.71073","MoKα","","0.0519","0.0366","","","0.0672","0.0706","","","","","","1.002","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508773","7.473","0.001","8.3233","0.0011","13.1239","0.0017","102.054","0.002","95.03","0.002","109.753","0.002","740.15","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Zeng, He-Ping; OuYang, Xin-Hua; Wang, Ting-Ting; Yuan, Guo-Zan; Zhang, Guang-Hui; Zhang, Xin-min","Synthesis, Crystal Structure, and Prediction of Hole Mobilities of 2,7‘-Ethylenebis(8-hydroxyquinoline)","Crystal Growth & Design","2006","6","7","1697","","10.1021/cg060197s","","","0.71073","MoKα","","0.0656","0.0427","","","0.1122","0.1308","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508774","14.51","0.004","9.71","0.003","19.569","0.005","90","","90","","90","","2757.1","1.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","2","","Pauchet, Morgan; Morelli, Thomas; Coste, Servane; Malandain, Jean-Jacques; Coquerel, Gérard","Crystallization of (±)-Modafinil in Gel: Access to Form I, Form III, and Twins","Crystal Growth & Design","2006","6","8","1881","","10.1021/cg060203k","","","0.71073","MoKα","","0.0341","0.0302","","","0.0763","0.0775","","","","","","0.979","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508775","12.795","0.002","13.646","0.002","13.81","0.002","93.251","0.003","115.208","0.002","108.242","0.002","2020.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cu N8 O10 S -","- C40 H44 Cu N8 O10 S -","- C80 H88 Cu2 N16 O20 S2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.0863","0.0442","","","0.1014","0.1234","","","","","","1.016","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508776","12.796","0.004","13.491","0.004","14.131","0.004","90.636","0.005","108.398","0.005","116.762","0.005","2032.7","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cu N4 O9 S -","- C44 H46 Cu N4 O9 S -","- C88 H92 Cu2 N8 O18 S2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.16","0.0902","","","0.1843","0.2111","","","","","","1.072","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508777","13.087","0.003","13.149","0.003","14.107","0.003","90.716","0.004","113.349","0.003","112.25","0.003","2024.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu F6 N8 O4.5 Si -","- C40 H32 Cu F6 N8 O4.5 Si -","- C80 H64 Cu2 F12 N16 O9 Si2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.1293","0.0652","","","0.1592","0.194","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508778","13.005","0.003","13.452","0.003","14.081","0.003","92.909","0.003","111.721","0.003","112.678","0.003","2057.1","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Cu F6 N4 O4.5 Si -","- C44 H43 Cu F6 N4 O4.5 Si -","- C88 H86 Cu2 F12 N8 O9 Si2 -","2","1","","Springsteen, Caleb H.; Sweeder, Ryan D.; LaDuca, Robert L.","Ligand and Anion Effects on the Morphology of Aqueous Substructures Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)","Crystal Growth & Design","2006","6","10","2308","","10.1021/cg060229b","","","0.71073","MoKα","","0.107","0.061","","","0.1155","0.1312","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508779","7.3223","0.0014","7.5889","0.0015","8.714","0.0017","83.383","0.003","77.723","0.004","89.083","0.003","469.98","0.16","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H4 F10 N4 O2 -","- C22 H4 F10 N4 O2 -","- C22 H4 F10 N4 O2 -","1","0.5","","Tang, Hongding; Gao, Jian Ping; Xiong, Ying; Wang, Zhi Yuan","Self-Assembled, Discrete Organic Tubular Crystals with Controllable Sizes by Simple Sublimation","Crystal Growth & Design","2006","6","7","1559","","10.1021/cg0602313","","","0.71073","MoKα","","0.0639","0.0444","","","0.0979","0.1064","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508780","9.1869","0.0013","19.186","0.003","13.992","0.002","90","","94.673","0.002","90","","2458","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Br N O2 -","- C33 H22 Br N O2 -","- C132 H88 Br4 N4 O8 -","4","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0705","0.041","","","0.0909","0.1012","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508781","8.9659","0.0011","10.9066","0.0013","14.3668","0.0017","110.798","0.002","91.855","0.002","108.038","0.002","1232.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Br N O2 -","- C33 H22 Br N O2 -","- C66 H44 Br2 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0548","0.0417","","","0.1062","0.1123","","","","","","1.146","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508782","9.7327","0.0011","11.0332","0.0013","14.5441","0.0013","111.525","0.008","90.548","0.01","113.993","0.009","1304","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H25 N O2 -","- C37 H25 N O2 -","- C74 H50 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","1.54178","CuKα","","0.0986","0.0663","","","0.1738","0.1984","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508783","10.2222","0.0015","11.1071","0.0016","13.4859","0.0019","90","","92.113","0.002","90","","1530.1","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H29 N O2 -","- C42 H29 N O2 -","- C84 H58 N2 O4 -","2","1","","Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo","Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules","Crystal Growth & Design","2006","6","9","2086","","10.1021/cg060232v","","","0.71073","MoKα","","0.0625","0.0435","","","0.107","0.1269","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508784","17.418","0.005","10.74","0.003","16.615","0.005","90","","111.952","0.005","90","","2882.8","1.4","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C23 H22 Ag Cl2 F6 N6 O4 Sb -","- C92 H88 Ag4 Cl8 F24 N24 O16 Sb4 -","4","1","","Lü, Xing-Qiang; Qiao, Yu-Qin; He, Jian-Rong; Pan, Mei; Kang, Bei-Sheng; Su, Cheng-Yong","Triple-Stranded Helical and Plywood-Like Arrays: Two Uncommon Framework Isomers Based on the Common One-Dimensional Chain Structures","Crystal Growth & Design","2006","6","8","1910","","10.1021/cg060240b","","","0.71073","MoKα","","0.058","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508785","16.256","0.007","11.091","0.005","15.798","0.007","90","","113.061","0.007","90","","2621","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag N7 O8 -","- C23 H24 Ag N7 O8 -","- C92 H96 Ag4 N28 O32 -","4","1","","Lü, Xing-Qiang; Qiao, Yu-Qin; He, Jian-Rong; Pan, Mei; Kang, Bei-Sheng; Su, Cheng-Yong","Triple-Stranded Helical and Plywood-Like Arrays: Two Uncommon Framework Isomers Based on the Common One-Dimensional Chain Structures","Crystal Growth & Design","2006","6","8","1910","","10.1021/cg060240b","","","0.71073","MoKα","","0.1358","0.0593","","","0.1587","0.1991","","","","","","1.023","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508786","9.0085","0.0015","9.0085","0.0015","15.799","0.004","90","","90","","90","","1282.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Er N O10 P -","- C5 H7 Er N O10 P -","- C20 H28 Er4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0242","0.0231","","","0.0542","0.0547","","","","","","1.122","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508787","8.9466","0.0001","8.9062","0.0002","15.5353","0.0003","90","","90","","90","","1237.86","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Lu N O10 P -","- C5 H7 Lu N O10 P -","- C20 H28 Lu4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0223","0.0214","","","0.0494","0.0499","","","","","","1.133","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508788","9.4045","0.0015","9.9465","0.0016","15.15","0.002","80.939","0.003","72.968","0.003","75.745","0.002","1307.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Co N2 O8 Zn -","- C29 H22 Co N2 O8 Zn -","- C58 H44 Co2 N4 O16 Zn2 -","2","1","","Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min","Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand","Crystal Growth & Design","2006","6","11","2517","","10.1021/cg0602717","","","0.71073","MoKα","","0.0581","0.0375","","","0.0826","0.0921","","","","","","1.027","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508789","11.722","0.002","16.609","0.003","19.65","0.004","90","","90","","90","","3825.7","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C168 H144 Co8 N16 O32 -","8","1","","Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min","Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand","Crystal Growth & Design","2006","6","11","2517","","10.1021/cg0602717","","","0.71073","MoKα","","0.0516","0.041","","","0.1112","0.1165","","","","","","1.063","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508790","9.4197","0.0019","13.256","0.003","15.673","0.003","101.18","0.03","105.51","0.03","90.17","0.03","1846.9","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C46 H32 O9 -","- C46 H32 O9 -","- C92 H64 O18 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1129","0.0669","","","0.1331","0.1614","","","","","","1.148","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508791","9.593","0.007","10.515","0.007","12.504","0.009","109.84","0.05","93.13","0.06","106.52","0.05","1121.4","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C26 H22 O6 -","- C26 H22 O6 -","- C52 H44 O12 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1652","0.0817","","","0.1039","0.133","","","","","","1.172","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508792","10.994","0.005","13.215","0.007","16.591","0.016","99.8","0.06","107.79","0.06","95.44","0.04","2234","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","2","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1145","0.0736","","","0.1692","0.2023","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508793","10.574","0.016","10.873","0.018","11.819","0.019","101.89","0.12","94","0.2","98.25","0.13","1309","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate","","- C30 H30 O8 -","- C30 H30 O8 -","- C60 H60 O16 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1379","0.0815","","","0.1734","0.2141","","","","","","1.113","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508794","10.684","0.002","11.685","0.002","13.972","0.003","71.22","0.03","79.32","0.03","89.48","0.03","1620.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane hydroxonium clathrate","","- C34 H40 O11 -","- C34 H40 O11 -","- C68 H80 O22 -","2","1","","Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin","Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane","Crystal Growth & Design","2006","6","11","2523","","10.1021/cg060274j","","","0.71073","MoKα","","0.1427","0.0811","","","0.1705","0.2111","","","","","","1.125","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508795","10.941","0.002","21.255","0.004","13.487","0.003","90","","100.21","0.03","90","","3086.7","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 Cu4 Mo12 N8 O40 P -","- C40 H32 Cu4 Mo12 N8 O40 P -","- C80 H64 Cu8 Mo24 N16 O80 P2 -","2","1","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0299","0.0283","","","0.0845","0.0856","","","","","","0.735","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508796","10.929","0.002","13.615","0.003","13.843","0.003","109.9","0.03","102.97","0.03","98.53","0.03","1829.8","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu4 N10 O44 Si W12 -","- C50 H42 Cu4 N10 O44 Si W12 -","- C50 H42 Cu4 N10 O44 Si W12 -","1","0.5","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0767","0.0641","","","0.1776","0.1888","","","","","","1.227","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508797","10.072","0.002","13.42","0.003","13.568","0.003","87.78","0.03","70.07","0.03","69","0.03","1602.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu3 K Mo8 N10 O26 -","- C50 H32 Cu3 K Mo8 N10 O26 -","- C50 H32 Cu3 K Mo8 N10 O26 -","1","0.5","","Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song","Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands","Crystal Growth & Design","2006","6","12","2693","","10.1021/cg060303q","","","0.71073","MoKα","","0.0746","0.0596","","","0.1511","0.1601","","","","","","1.053","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508798","8.421","0.005","11.493","0.006","13.234","0.007","78.107","0.014","72.502","0.019","78.524","0.018","1182.4","1.1","200","","200","","","","","","","","","7","P -1","-P 1","2","","[Cu(bib)2](Cl3CCOO)2-2MeOH-4(H2O)","","- C34 H42 Br2 Cl6 Cu N8 O10 -","- C34 H32 Br2 Cl6 Cu N8 O10 -","- C34 H32 Br2 Cl6 Cu N8 O10 -","1","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.1379","0.0523","","","0.0507","0.0535","","","","","","1","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508799","8.952","0.013","9.096","0.01","10.114","0.012","81.39","0.03","86.47","0.04","88.22","0.04","812.5","1.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","[Cu(bib)2]Cl2-H2O","","- C28 H28 Br2 Cl2 Cu N8 O -","- C28 H26 Br2 Cl2 Cu N8 O -","- C28 H26 Br2 Cl2 Cu N8 O -","1","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.276","0.0615","","","0.063","0.0713","","","","","","0.769","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508800","8.535","0.005","9.28","0.004","21.923","0.009","90","","94.81","0.017","90","","1730.3","1.4","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Cu(bib)2(H2O)(SO4)]-4(H2O)","","- C28 H36 Br2 Cu N8 O9 S -","- C28 H26 Br2 Cu N8 O9 S -","- C56 H52 Br4 Cu2 N16 O18 S2 -","2","0.5","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.71075","MoKα","","0.1165","0.0644","","","0.109","0.1253","","","","","","1.02","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508801","7.141","0.003","10.934","0.004","11.979","0.005","102.289","0.007","97.31","0.004","93.6","0.005","902.6","0.6","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 Br Cu N4 O6 S -","- C14 H15 Br Cu N4 O6 S -","- C28 H30 Br2 Cu2 N8 O12 S2 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.031","","","","0.091","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508802","9.2445","0.0007","11.1244","","12.206","0.0013","72.91","0.02","88.68","0.02","74.172","0.013","1152.1","0.2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 Br Cu N8 O3 -","- C19 H23 Br Cu N8 O3 -","- C38 H46 Br2 Cu2 N16 O6 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.039","","","","0.104","","","","","","1","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508803","9.785","0.004","8.912","0.003","23.822","0.009","90","","91.54","0.006","90","","2076.6","1.4","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Br Cu N4 O8 -","- C17 H16 Br Cu N4 O7 -","- C68 H64 Br4 Cu4 N16 O28 -","4","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.048","","","","0.152","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508804","9.24","0.005","9.061","0.005","11.6","0.006","90","","91.023","0.006","90","","971","0.9","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br Cu N4 O5 -","- C18 H15 Br Cu N4 O5 -","- C36 H30 Br2 Cu2 N8 O10 -","2","1","","Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene","Crystal Growth & Design","2006","6","9","2092","","10.1021/cg060304i","","","0.7107","MoKα","","","0.044","","","","0.142","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508805","9.3604","0.0011","10.8601","0.0009","11.3165","0.0011","63.858","0.008","74.334","0.009","82.932","0.009","994.33","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H29 Cu N Na O14 -","- C11 H29 Cu N Na O14 -","- C22 H58 Cu2 N2 Na2 O28 -","2","1","","Karabach, Yauhen Yu.; Kirillov, Alexander M.; da Silva, M. Fátima C. Guedes; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","An Aqua-Soluble Copper(II)−Sodium Two-Dimensional Coordination Polymer with Intercalated Infinite Chains of Decameric Water Clusters","Crystal Growth & Design","2006","6","10","2200","","10.1021/cg060310e","","","0.71069","MoKα","","0.0592","0.0375","","","0.0753","0.0802","","","","","","1.01","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508806","4.3901","0.0003","7.1531","0.0005","11.0189","0.0008","90","","92.88","0.003","90","","345.59","0.04","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-fluoro-2-oxindole","","","- C8 H6 F N O -","- C8 H6 F N O -","- C16 H12 F2 N2 O2 -","2","1","","Day, Graeme M.; Motherwell, W. D. Sam","An Experiment in Crystal Structure Prediction by Popular Vote","Crystal Growth & Design","2006","6","9","1985","","10.1021/cg060313r","","","0.71073","MoKα","","0.0353","0.0329","","","0.0822","0.0842","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508807","6.4549","0.0003","10.4034","0.0004","10.1283","0.0005","90","","92.942","0.001","90","","679.25","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-quinuclidinol","3-quinuclidinol","","- C7 H13 N O -","- C7 H13 N O -","- C28 H52 N4 O4 -","4","1","","Day, Graeme M.; Motherwell, W. D. Sam","An Experiment in Crystal Structure Prediction by Popular Vote","Crystal Growth & Design","2006","6","9","1985","","10.1021/cg060313r","","","0.71073","MoKα","","0.0729","0.0597","","","0.1513","0.1608","","","","","","1.091","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508808","24.905","0.008","11.351","0.004","12.511","0.004","90","","90.066","0.012","90","","3537","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C73 H88 N18 O7 -","- C73 H87 N18 O7 -","- C146 H174 N36 O14 -","2","0.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0582","0.044","","","0.0923","0.0985","","","","","","1.055","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508809","11.6615","0.0007","12.1566","0.0007","18.5303","0.0011","90","","99.582","0.001","90","","2590.3","0.3","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H34 N6 O3 -","- C26 H34 N6 O3 -","- C104 H136 N24 O12 -","4","2","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.091","0.0559","","","0.0963","0.1078","","","","","","0.99","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508810","25.306","0.003","11.1907","0.0011","12.347","0.0013","90","","90.41","0.002","90","","3496.5","0.7","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28.6 N6 O2.31 -","- C24 H28 N6 O2.30667 -","- C144 H168 N36 O13.84 -","6","1.5","","Todd, Adam M.; Anderson, Kirsty M.; Byrne, Peter; Goeta, Andrés E.; Steed, Jonathan W.","Helical or Polar Guest-DependentZ‘ = 1.5 orZ‘ = 2 Forms of a Sterically Hindered Bis(urea) Clathrate","Crystal Growth & Design","2006","6","8","1750","","10.1021/cg060318o","","","0.71073","MoKα","","0.0415","0.0337","","","0.0703","0.0732","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508811","20.11","0.008","6.863","0.003","13.555","0.003","90","","91.04","0.03","90","","1870.5","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sodium N-(3-(aminosulfonyl)-4-chloro-2-hydroxyphenyl)-N'- (2,3-dichlorophenyl) urea trihydrate","","- C13 H15 Cl3 N3 Na O7 S -","- C13 H15 Cl3 N3 Na O7 S -","- C52 H60 Cl12 N12 Na4 O28 S4 -","4","1","","Vogt, Frederick G.; Brum, Jeffrey; Katrincic, Lee M.; Flach, Agnes; Socha, Jerome M.; Goodman, Richard M.; Haltiwanger, R. Curtis","Physical, Crystallographic, and Spectroscopic Characterization of a Crystalline Pharmaceutical Hydrate: Understanding the Role of Water","Crystal Growth & Design","2006","6","10","2333","","10.1021/cg060324k","","","0.71073","MoKα","","0.0729","0.0372","","","0.1029","0.1352","","","","","","0.871","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508812","8.8752","0.001","17.898","0.002","24.41","0.003","90","","90","","90","","3877.5","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0452","0.038","","","0.0968","0.1018","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508813","10.4652","0.0013","9.2705","0.0012","19.788","0.003","90","","97.522","0.002","90","","1903.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C84 H80 Br4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0819","0.0683","","","0.1785","0.1925","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508814","11.2369","0.0009","8.9082","0.0007","19.2612","0.0017","90","","106.624","0.001","90","","1847.5","0.3","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","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0318","0.029","","","0.0801","0.0827","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508815","10.5691","0.0013","9.3135","0.0011","18.974","0.002","90","","99.028","0.002","90","","1844.6","0.4","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","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0445","0.0353","","","0.0915","0.0977","","","","","","1.007","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508816","28.927","0.003","5.998","0.0006","21.499","0.002","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H40 N4 O8 -","- C42 H40 N4 O8 -","- C168 H160 N16 O32 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.033","0.032","","","0.0797","0.081","","","","","","1.092","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508817","10.5943","0.0008","8.9347","0.0007","19.032","0.0015","90","","102.607","0.001","90","","1758.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0322","0.0297","","","0.079","0.0822","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508818","22.4126","0.0017","16.699","0.0013","10.7237","0.0008","90","","90","","90","","4013.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Br2 N2 O4 -","- C46 H44 Br2 N2 O4 -","- C184 H176 Br8 N8 O16 -","4","0.5","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0286","0.0264","","","0.0655","0.0672","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508819","10.7493","0.001","22.797","0.002","16.6738","0.0016","90","","90","","90","","4085.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C192 H200 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0621","0.0483","","","0.1152","0.1219","","","","","","1.142","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508820","11.2663","0.0006","8.9435","0.0005","18.7571","0.001","90","","105.926","0.001","90","","1817.43","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0326","0.0315","","","0.0826","0.0841","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508821","10.5042","0.0008","9.221","0.0007","19.4703","0.0015","90","","97.384","0.001","90","","1870.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0569","0.0518","","","0.1475","0.1536","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508822","8.5885","0.0005","20.7466","0.0012","21.5058","0.0013","90","","100.172","0.001","90","","3771.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 N2 O4 -","- C42 H40 Cl2 N2 O4 -","- C168 H160 Cl8 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0732","0.0566","","","0.1279","0.1364","","","","","","1.111","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508823","15.7677","0.0007","10.2895","0.0005","17.2299","0.0008","90","","101.886","0.002","90","","2735.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","HY 3/159","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C104 H144 N8 O24 P8 -","8","4","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0597","0.0479","","","0.1028","0.1082","","","","","","1.03","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508824","6.0547","0.0003","12.5714","0.0007","17.5919","0.001","90","","90","","90","","1339.03","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hy31592","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C52 H72 N4 O12 P4 -","4","1","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0354","0.0317","","","0.0777","0.0797","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508825","4.324","0.001","9.635","0.001","18.089","0.001","78.514","0.01","87.121","0.01","80.574","0.01","728.43","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","norfloxacin","norfloxacin","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.2793","0.105","","","0.1791","0.2458","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508826","18.8749","0.0007","14.6353","0.0006","18.4094","0.0004","90","","98.432","0.002","90","","5030.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","norfloxacin.isonicotinamide.CHCL3","norfloxacin.isonicotinamide.CHCL3","","- C23 H25 Cl3 F N5 O4 -","- C23 H25 Cl3 F N5 O4 -","- C184 H200 Cl24 F8 N40 O32 -","8","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.1616","0.102","","","0.2582","0.3039","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508827","6.8086","0.0002","9.3743","0.0003","15.5127","0.0004","93.69","0.002","93.262","0.002","110.885","0.002","919.75","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacin (succinate)0.5 hydrate","norfloxacin (succinate)0.5 hydrate","","- C18 H23 F N3 O6 -","- C18 H23 F N3 O6 -","- C36 H46 F2 N6 O12 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.0823","0.0596","","","0.1267","0.1391","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508828","8.217","0.0001","9.138","0.0002","13.883","0.0002","90.392","0.001","91.08","0.001","96.771","0.001","1034.93","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacinmalonate dihydrate","norfloxacinmalonate dihydrate","","- C19 H26 F N3 O9 -","- C19 H26 F N3 O9 -","- C38 H52 F2 N6 O18 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.0452","0.0405","","","0.1072","0.1118","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508829","7.089","0.0002","9.8742","0.0003","14.5854","0.0003","96.457","0.002","92.3","0.002","102.937","0.002","986.47","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","norfloxacinmaleate hydrate","norfloxacinmaleate hydrate","","- C20 H24 F N3 O8 -","- C20 H24 F N3 O8 -","- C40 H48 F2 N6 O16 -","2","1","","Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.","Pharmaceutical Cocrystal and Salts of Norfloxacin","Crystal Growth & Design","2006","6","12","2699","","10.1021/cg060327x","","","0.71073","MoKα","","0.066","0.0492","","","0.1217","0.1333","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508830","13.222","0.003","9.4395","0.0019","16.383","0.003","90","","102.78","0.03","90","","1994.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O12 U2 -","- C14 H20 O12 U2 -","- C56 H80 O48 U8 -","4","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.1103","0.0786","","","0.1962","0.2156","","","","","","0.989","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508831","4.4142","0.0004","5.548","0.0006","10.718","0.0012","77.47","0.002","81.865","0.002","85.993","0.002","253.45","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 O6 U -","- C8 H12 O6 U -","- C8 H12 O6 U -","1","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.0236","0.0236","","","0.0573","0.0573","","","","","","1.081","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508832","11.3233","0.0003","4.4018","0.0001","10.8499","0.0004","90","","95.454","0.002","90","","538.34","0.03","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H14 O6 U -","- C9 H14 O6 U -","- C18 H28 O12 U2 -","2","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.0438","0.0392","","","0.095","0.0968","","","","","","1.068","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508833","9.4982","0.0012","14.0112","0.0019","15.3757","0.0019","94.875","0.003","101.27","0.003","94.909","0.003","1988.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 O18 U3 -","- C30 H48 O18 U3 -","- C60 H96 O36 U6 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties","Crystal Growth & Design","2006","6","10","2241","","10.1021/cg060329h","","","0.71073","MoKα","","0.1422","0.0957","","","0.2419","0.2524","","","","","","1.781","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508834","15.5406","0.0013","12.5765","0.0013","16.821","0.002","90","","101.024","0.004","90","","3226.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 O18 U2 -","- C25 H28 N2 O18 U2 -","- C100 H112 N8 O72 U8 -","4","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.1","0.0439","","","0.0713","0.0858","","","","","","0.733","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508835","12.2138","0.0008","12.2138","0.0008","10.033","0.0006","90","","90","","120","","1296.17","0.14","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C16 H16 N2 O6 U -","- C16 H16 N2 O6 U -","- C48 H48 N6 O18 U3 -","3","0.5","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0278","0.0254","","","0.046","0.0466","","","","","","0.884","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508836","9.2194","0.0005","12.1003","0.0008","12.6351","0.0008","85.612","0.001","75.136","0.002","78.964","0.002","1336.62","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 O11 U -","- C24 H32 N2 O11 U -","- C48 H64 N4 O22 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0462","0.0354","","","0.0602","0.063","","","","","","0.872","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508837","21.3325","0.0015","10.7195","0.0007","33.626","0.002","90","","105.425","0.001","90","","7412.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N2 O21 U4 -","- C24 H34 N2 O21 U4 -","- C192 H272 N16 O168 U32 -","8","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0789","0.0426","","","0.0756","0.0906","","","","","","0.962","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508838","15.4208","0.0003","27.9321","0.0006","11.0768","0.0003","90","","112.305","0.001","90","","4414.17","0.18","100","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O10 U2 -","- C18 H22 N2 O10 U2 -","- C144 H176 N16 O80 U16 -","8","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0376","0.0264","","","0.0573","0.0614","","","","","","1.067","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508839","7.2624","0.0007","11.4342","0.0011","12.3394","0.0012","76.767","0.002","74.841","0.002","84.239","0.002","961.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N O10 U2 -","- C14 H20 N O10 U2 -","- C28 H40 N2 O20 U4 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0357","0.0278","","","0.0608","0.0637","","","","","","1.047","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508840","8.1332","0.0018","9.896","0.002","11.983","0.003","70.663","0.004","87.499","0.004","67.749","0.004","838.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O6 U -","- C15 H20 N O6 U -","- C30 H40 N2 O12 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.1636","0.0731","","","0.1485","0.1803","","","","","","1.045","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508841","8.135","0.003","9.793","0.004","11.236","0.004","89.67","0.006","73.76","0.006","89.722","0.006","859.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O8 U -","- C15 H17 N O8 U -","- C30 H34 N2 O16 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0617","0.0518","","","0.1149","0.1189","","","","","","0.984","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508842","10.6485","0.0008","11.6905","0.0009","17.1826","0.0013","72.419","0.001","75.264","0.001","81.642","0.001","1966.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N2 O16 U2 -","- C33 H44 N2 O16 U2 -","- C66 H88 N4 O32 U4 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0502","0.0367","","","0.0922","0.0965","","","","","","0.964","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508843","8.4931","0.0003","26.2436","0.0011","10.7482","0.0005","90","","103.097","0.001","90","","2333.34","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O9 U2 -","- C20 H24 N2 O9 U2 -","- C80 H96 N8 O36 U8 -","4","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.0378","0.0301","","","0.074","0.0782","","","","","","1.038","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508844","8.2635","0.0019","9.216","0.002","12.7756","0.0019","107.476","0.002","97.447","0.001","103.511","0.002","881.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O6 U -","- C15 H20 N O6 U -","- C30 H40 N2 O12 U2 -","2","1","","Borkowski, Lauren A.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence","Crystal Growth & Design","2006","6","10","2248","","10.1021/cg060330g","","","0.71073","MoKα","","0.039","0.0304","","","0.0665","0.0693","","","","","","0.984","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508845","21.653","0.004","21.919","0.004","22.13","0.004","86.26","0.03","77.68","0.03","67.69","0.03","9492","4","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C145 H135 Br12 Cl2 N13 O41 Yb6 -","- C145 H135 Br12 Cl2 N13 O41 Yb6 -","- C290 H270 Br24 Cl4 N26 O82 Yb12 -","2","1","","Yang, Xiao-Ping; Jones, Richard A.; Oye, Michael M.; Holmes, Archie L.; Wong, Wai-Kwok","Near Infrared Luminescence and Supramolecular Structure of a Helical Triple-Decker Yb(III) Schiff Base Cluster","Crystal Growth & Design","2006","6","9","2122","","10.1021/cg0603319","","","0.71073","MoKα","","0.1","0.0598","","","0.1481","0.1697","","","","","","1.083","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508846","13.3135","0.0019","7.5501","0.0011","17.487","0.003","90","","92.722","0.003","90","","1755.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ni O12 S -","- C16 H16 Ni O12 S -","- C64 H64 Ni4 O48 S4 -","4","1","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.078","0.0529","","","0.108","0.1143","","","","","","1.015","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508847","25.122","0.007","8.253","0.002","11.259","0.003","90","","108.145","0.008","90","","2218.3","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","- C72 H72 N8 Ni4 O30 S2 -","1","0.25","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.0689","0.0542","","","0.1163","0.1199","","","","","","1.027","","","","has coordinates","287938","2023-12-01","16:11:16",""
"4508848","5.7312","0.0011","16.985","0.003","11.722","0.002","90","","97.57","0.03","90","","1131.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichloridobis(diphenylsulfide)platinum","","- C12 H10 Cl Pd0.5 S -","- C12 H10 Cl Pd0.5 S -","- C48 H40 Cl4 Pd2 S4 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.043","0.0351","","","0.0917","0.1109","","","","","","1.251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508849","5.6464","0.0011","17.218","0.003","11.927","0.002","90","","96.89","0.03","90","","1151.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl Pd0.5 Se -","- C12 H10 Cl Pd0.5 Se -","- C48 H40 Cl4 Pd2 Se4 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.042","0.0338","","","0.0863","0.0915","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508850","12.387","0.003","13.476","0.003","13.778","0.003","90","","91.64","0.03","90","","2299","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 Pt Se2 -","- C24 H20 Cl2 Pt Se2 -","- C96 H80 Cl8 Pt4 Se8 -","4","1","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0374","0.0302","","","0.0862","0.1097","","","","","","1.317","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508851","6.8454","0.0014","7.9258","0.0016","8.5633","0.0017","87.86","0.03","71.44","0.03","65.78","0.03","399.33","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 Pd S2 -","- C14 H16 Cl2 Pd S2 -","- C14 H16 Cl2 Pd S2 -","1","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0206","0.0192","","","0.0469","0.0477","","","","","","1.114","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508852","6.7442","0.0001","7.9469","0.0002","8.6745","0.0002","88.079","0.001","71.727","0.001","65.806","0.001","400.264","0.016","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 Pt S2 -","- C14 H16 Cl2 Pt S2 -","- C14 H16 Cl2 Pt S2 -","1","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","","","0.71073","MoKα","","0.0325","0.0325","","","0.083","0.083","","","","","","1.129","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508853","5.81831","0.00012","17.002","0.0003","11.7838","0.0002","90","","98.1776","0.0012","90","","1153.83","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Pd S2 -","- C24 H20 Cl2 Pd S2 -","- C48 H40 Cl4 Pd2 S4 -","2","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","powder diffraction","","","X-ray","","","","","","","","","4.829","","","","","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508854","5.73667","0.00012","17.2469","0.0003","12.0289","0.0002","90","","97.5654","0.0012","90","","1179.78","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Pd Se2 -","- C24 H20 Cl2 Pd Se2 -","- C48 H40 Cl4 Pd2 Se4 -","2","0.5","","Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku","Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)","Crystal Growth & Design","2006","6","10","2376","","10.1021/cg060348r","powder diffraction","","","X-ray","","","","","","","","","5.477","","","","","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508855","15.4523","0.0014","16.3494","0.0015","16.513","0.0014","119.409","0.002","90.449","0.002","117.481","0.001","3072.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","1:2 Acetic acid solvate of Trimesic acid","1:2 Acetic acid solvate of Trimesic acid","","- C20 H16 O14 -","- C20 H16 O14 -","- C120 H96 O84 -","6","3","","Vishweshwar, Peddy; Beauchamp, Derek A.; Zaworotko, Michael J.","An Acetic Acid Solvate of Trimesic Acid That Exhibits Triple Inclined Interpenetration and Mixed Supramolecular Homosynthons","Crystal Growth & Design","2006","6","11","2429","","10.1021/cg060349j","","","0.71073","MoKα","","0.1209","0.0761","","","0.1747","0.1932","","","","","","1.046","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508856","6.4126","0.0005","7.8307","0.0009","10.4658","0.001","90","","90","","90","","525.54","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H3 Cd Cl N4 -","- C2 H3 Cd Cl N4 -","- C8 H12 Cd4 Cl4 N16 -","4","1","","Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie","A Novel Chiral Cd(II) Coordination Polymer Based on Achiral Unsymmetrical 3-Amino-1,2,4-triazole with an Unprecedented μ4-Bridging Mode","Crystal Growth & Design","2006","6","9","2136","","10.1021/cg060363w","","","0.71073","MoKα","","0.0294","0.0272","","","0.0565","0.0584","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508857","16.5475","0.0013","23.0453","0.0018","21.7704","0.0017","90","","96.904","0.001","90","","8241.8","1.1","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H90 Cl12 Mn3 N13 Nb6 O12 -","- C52 H89 Cl12 Mn3 N13 Nb6 O12 -","- C208 H356 Cl48 Mn12 N52 Nb24 O48 -","4","1","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0862","0.0557","","","0.1137","0.1251","","","","","","1.056","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508858","13.6875","0.0009","13.2343","0.0009","19.8629","0.0014","90","","91.605","0.001","90","","3596.6","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl12 Mn2 N14 Nb6 O6 -","- C42 H70 Cl12 Mn2 N14 Nb6 O6 -","- C84 H140 Cl24 Mn4 N28 Nb12 O12 -","2","0.5","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0625","0.0396","","","0.0801","0.0886","","","","","","0.969","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508859","12.87","0.004","14.119","0.004","24.792","0.007","90","","91.402","0.005","90","","4504","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 Cl12 Mn4 N18 Nb6 O10 -","- C62 H76 Cl12 Mn4 N18 Nb6 O10 -","- C124 H152 Cl24 Mn8 N36 Nb12 O20 -","2","0.5","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.0568","0.0482","","","0.1171","0.1222","","","","","","1.071","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508860","14.741","0.005","16.175","0.005","18.969","0.006","80.858","0.005","75.619","0.005","74.272","0.005","4197","2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H80.8 Cl12 Mn4 N14 Nb6 O12.4 -","- C54 H76 Cl12 Mn4 N14 Nb6 O12.4 -","- C108 H152 Cl24 Mn8 N28 Nb12 O24.8 -","2","1","","Zhou, Huajun; Lachgar, Abdessadek","Supramolecular Assemblies Built of [Nb6Cl12(CN)6]4-Octahedral Metal Clusters and [Mn(acacen)]+Complexes","Crystal Growth & Design","2006","6","10","2384","","10.1021/cg0603669","","","0.71073","MoKα","","0.043","0.0341","","","0.0829","0.0881","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508861","6.5733","0.0009","6.5733","0.0009","16.731","0.003","90","","90","","120","","626.07","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ag2 Cl6 Re -","- Ag2 Cl6 Re -","- Ag6 Cl18 Re3 -","3","0.166667","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","A Two-Dimensional ReIVAgICompound: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2006","6","10","2204","","10.1021/cg060375h","","","0.71073","MoKα","","0.038","0.0379","","","0.1026","0.1026","","","","","","1.156","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508862","5.5311","0.0006","6.2566","0.0007","9.0041","0.001","70.187","0.002","76.251","0.002","72.714","0.002","276.64","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,3,5,6-tetracarboxylic acid","","- C9 H9 N O10 -","- C9 H9 N O10 -","- C9 H9 N O10 -","1","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0343","0.0336","","","0.084","0.0845","","","","","","1.117","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508863","5.5412","0.0011","6.3763","0.0013","9.071","0.0018","110.23","0.03","91.99","0.03","106.39","0.03","285.38","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,3,5,6-tetracarboxylic acid","","- C9 H9 N O10 -","- C9 H9 N O10 -","- C9 H9 N O10 -","1","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0427","0.0404","","","0.1048","0.1069","","","","","","1.098","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508864","5.9452","0.0012","9.4204","0.0019","18.37","0.004","90","","90","","90","","1028.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridine-2,4,6-tricarboxylic acid","","- C8 H9 N O8 -","- C8 H9 N O8 -","- C32 H36 N4 O32 -","4","1","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H → N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0464","0.0407","","","0.0933","0.0962","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508865","9.113","0.0018","11.681","0.002","17.354","0.004","86.93","0.03","80.89","0.03","84.54","0.03","1814.3","0.7","293","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","- C60 H40 Cl3 Cu7 Gd2 N10 O32 -","1","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","The First Self-Penetrating Topology Based on an Unusual α-Po Net with Double Edges Constructed from a 12-Connected Gd2(μ2-Ocarboxylate)2(μ2-OH2)2(μ3-OH)2Cu2Core","Crystal Growth & Design","2006","6","11","2432","","10.1021/cg060379m","","","0.71073","MoKα","","0.1443","0.0749","","","0.1704","0.2061","","","","","","1","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508866","17.645","0.004","15.371","0.003","15.398","0.003","90","","90","","90","","4176.3","1.5","125","2","125","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C48 H56 O9 -","- C48 H56 O9 -","- C192 H224 O36 -","4","1","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.0722","0.0517","","","0.1246","0.1397","","","","","","1.003","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4508867","15.4735","0.0012","15.4735","0.0012","22.604","0.003","90","","90","","90","","5412.1","0.9","125","2","125","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C58 H76 O9.5 -","- C58.08 H76.16 O9.52 -","- C232.32 H304.64 O38.08 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.1429","0.0756","","","0.1958","0.2707","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508868","15.739","0.003","21.908","0.004","15.847","0.003","90","","90.59","0.03","90","","5463.9","1.8","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H65 Br Cl F3 O8 -","- C54 H65 Br Cl F3 O8 -","- C216 H260 Br4 Cl4 F12 O32 -","4","1","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.2197","0.1856","","","0.5015","0.5313","","","","","","2.491","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508869","15.4867","0.0013","15.4867","0.0013","22.675","0.003","90","","90","","90","","5438.3","1","125","2","125","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C56 H71 Br Cl F3 O9 -","- C56 H71 Br Cl F3 O9 -","- C224 H284 Br4 Cl4 F12 O36 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.149","0.1049","","","0.3049","0.3499","","","","","","1.351","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508870","15.202","0.004","30.187","0.007","15.203","0.004","90","","90.045","0.003","90","","6977","3","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 O5.5 -","- C37 H54 O5.5 -","- C296 H432 O44 -","8","2","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.2031","0.1268","","","0.2946","0.3465","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508871","8.3618","0.0002","9.0628","0.0002","12.8581","0.0004","95.611","0.001","93.604","0.001","109.75","0.001","907.9","0.04","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol naphthalene clathrate","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0561","0.0395","","","0.0975","0.1062","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508872","8.3447","0.0002","9.2247","0.0003","13.3533","0.0004","91.857","0.002","92.303","0.002","108.133","0.001","974.97","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol anthracene clathrate","","- C27 H21 O3 -","- C27 H21 O3 -","- C54 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0821","0.0451","","","0.1018","0.1154","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508873","8.3536","0.0002","9.2164","0.0003","13.3415","0.0005","93.913","0.001","91.04","0.001","108.949","0.001","968.35","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol phenanthrene clathrate","","- C27 H21 O3 -","- C27 H21 O3 -","- C54 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.1048","0.0712","","","0.1846","0.2104","","","","","","1.058","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508874","8.393","0.0005","9.7237","0.0006","12.9654","0.001","94.018","0.003","91.57","0.002","110.732","0.003","985.62","0.12","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol pyrene clathrate","","- C28 H21 O3 -","- C28 H21 O3 -","- C56 H42 O6 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.1049","0.0635","","","0.1574","0.1782","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508875","8.3914","0.0002","9.1177","0.0002","12.8162","0.0003","96.162","0.001","93.767","0.001","109.314","0.001","914.67","0.04","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol beta-naphthol clathrate","","- C25 H20 O3.5 -","- C25 H19 O3.5 -","- C50 H38 O7 -","2","1","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0796","0.057","","","0.1541","0.1692","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508876","17.6686","0.0001","17.6686","0.00001","32.0818","0.0006","90","","90","","120","","8673.49","0.17","170","2","170","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C396 H360 O108 -","18","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1267","0.0787","","","0.1953","0.2375","","","","","","1.092","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508877","17.112","0.0003","17.112","0.0003","33.4225","0.0012","90","","90","","120","","8475.6","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C27 H19 O6.5 -","- C27 H18.99 O6.495 -","- C324 H227.88 O77.94 -","12","0.666667","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0555","0.0454","","","0.1272","0.1356","","","","","","1.061","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508878","13.1901","0.0003","13.5784","0.0003","14.0338","0.0004","90","","90.495","0.001","90","","2513.37","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H27 O9.5 -","- C28.5 H27 O9.5 -","- C114 H108 O38 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0773","0.0593","","","0.1616","0.1781","","","","","","1.027","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4508879","13.052","0.0005","13.4706","0.0006","14.148","0.0006","90","","91.646","0.003","90","","2486.45","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 O9.5 -","- C28 H27 O9.5 -","- C112 H108 O38 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1103","0.0725","","","0.2002","0.2238","","","","","","1.397","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4508880","13.0899","0.0012","13.4348","0.0012","14.1899","0.0012","90","","91.572","0.002","90","","2494.5","0.4","167","2","167","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H26 O9.25 -","- C27.5 H24 O9.25 -","- C110 H96 O37 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1905","0.1126","","","0.2162","0.2458","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508881","13.1722","0.0004","13.5497","0.0003","13.9929","0.0004","90","","90.96","0.001","90","","2497.09","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O9 -","- C27 H24 O9 -","- C108 H96 O36 -","4","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0635","0.0522","","","0.1454","0.155","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508882","31.29","0.006","19.372","0.004","17.489","0.003","90","","117.475","0.003","90","","9405","3","123","2","123","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C62 H60 Cl5 K4 N42 O42.5 -","- C62 H60 Cl5 K4 N42 O43.5 -","- C248 H240 Cl20 K16 N168 O174 -","4","0.5","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0818","0.0744","","","0.1766","0.1822","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508883","12.129","0.002","15.477","0.003","24.098","0.004","90","","90","","90","","4523.7","1.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H Ba Cl N O -","- C3 H3 Ba0.2 Cl0.3 N2.1 O2 -","- C120 H120 Ba8 Cl12 N84 O80 -","40","10","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.045","0.0444","","","0.1266","0.1275","","","","","","0.661","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508884","13.346","0.003","14.749","0.003","23.876","0.005","90","","90","","90","","4699.8","1.7","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 Cd2 Cl6 N20 O18 -","- C32 H30 Cd2 Cl6 N20 O18 -","- C128 H120 Cd8 Cl24 N80 O72 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0592","0.0582","","","0.1557","0.1565","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508885","15.933","0.002","17.702","0.003","20.202","0.003","90","","90","","90","","5697.9","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H63 Cl7 La2 N20 O26 -","- C30 H59 Cl7 La2 N20 O26 -","- C120 H236 Cl28 La8 N80 O104 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0327","0.0322","","","0.0844","0.0847","","","","","","1.064","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508886","19.0544","0.0011","19.0544","0.0011","31.639","0.004","90","","90","","90","","11487.2","1.7","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C40 H66 Cd4 N12 O25 -","- C40 H66 Cd4 N12 O25 -","- C320 H528 Cd32 N96 O200 -","8","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0767","0.057","","","0.1255","0.1361","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508887","16.033","0.002","16.744","0.002","20.286","0.003","68.747","0.002","66.944","0.002","63.282","0.002","4359.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H106 Cd4 N24 O37 -","- C64 H106 Cd4 N24 O37 -","- C128 H212 Cd8 N48 O74 -","2","1","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.1314","0.0928","","","0.2063","0.2257","","","","","","1.097","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508888","20.985","0.003","14.837","0.002","14.941","0.002","90","","92.09","0.003","90","","4648.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 Cd2 N12 O17 -","- C34 H54 Cd2 N12 O17 -","- C136 H216 Cd8 N48 O68 -","4","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0677","0.0534","","","0.1292","0.1396","","","","","","1.023","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508889","22.387","0.002","13.1645","0.0012","17.7277","0.0016","90","","103.104","0.002","90","","5088.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 Cd2 N12 O19 -","- C36 H62 Cd2 N12 O19 -","- C144 H248 Cd8 N48 O76 -","4","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0715","0.0482","","","0.0888","0.0963","","","","","","1.019","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508890","5.561","0.0001","8.6113","0.0002","21.9162","0.0005","90","","90","","90","","1049.51","0.04","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1005","0.0473","","","0.0796","0.0915","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508891","5.6291","0.0007","8.8502","0.0011","21.79","0.003","90","","90","","90","","1085.5","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C40 H48 F8 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0419","0.0322","","","0.0762","0.0802","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508892","5.0858","0.0005","9.5412","0.001","11.5677","0.0014","90","","93.875","0.004","90","","560.04","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.091","0.0533","","","0.1116","0.1243","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508893","9.1588","0.0017","5.7511","0.0013","12.097","0.002","90","","103.858","0.015","90","","618.6","0.2","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl F2 O2 S -","- C10 H11 Cl0.971 F1.942 O2 S -","- C20 H22 Cl1.942 F3.884 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.083","0.0623","","","0.1957","0.2112","","","","","","1.062","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508894","12.215","0.002","6.1978","0.0012","17.611","0.004","90","","106.52","0.03","90","","1278.2","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Cl3 O2 S -","- C10 H11 Cl3 O2 S -","- C40 H44 Cl12 O8 S4 -","4","2","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0425","0.0319","","","0.0681","0.0713","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508895","9.3954","0.0019","5.3324","0.0011","12.688","0.003","90","","105.36","0.03","90","","613","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1295","0.0597","","","0.1008","0.1177","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508896","5.6382","0.0011","8.4542","0.0017","21.822","0.004","90","","90","","90","","1040.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1314","0.0463","","","0.0658","0.0743","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508897","4.6869","0.0009","10.458","0.002","10.937","0.002","90","","96.07","0.03","90","","533.08","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C20 H24 F4 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0785","0.0409","","","0.0715","0.0779","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508898","6.1239","0.0012","9.3422","0.0019","10.132","0.002","90","","102.41","0.03","90","","566.1","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C20 H22 F6 O4 S2 -","2","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0626","0.0418","","","0.1022","0.1095","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508899","17.2","0.003","5.9594","0.0012","13.889","0.003","90","","126.25","0.03","90","","1148.1","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H11 F3 O2 S -","- C10 H11 F3 O2 S -","- C40 H44 F12 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1058","0.0445","","","0.0699","0.0806","","","","","","0.863","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508900","23.226","0.005","6.0154","0.0012","9.885","0.002","90","","114.92","0.03","90","","1252.5","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.069","0.0527","","","0.135","0.1461","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508901","9.3364","0.0005","14.8119","0.0007","33.6668","0.0008","90","","91.004","0.003","90","","4655.1","0.4","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N4 O24 P8 Zn6 -","- C26 H40 N4 O24 P8 Zn6 -","- C104 H160 N16 O96 P32 Zn24 -","4","1","","Lin, Zhi-En; Fan, Wei; Gao, Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya","A New Organically Templated Zinc Phosphite Synthesized in Phosphorous Acid Flux and Its Hydrothermal Analogue","Crystal Growth & Design","2006","6","11","2435","","10.1021/cg060466e","","","0.71073","MoKα","","0.0627","0.0496","","","0.1272","0.1372","","","","","","1.064","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508902","11.392","0.004","5.199","0.002","15.863","0.006","90","","106.329","0.005","90","","901.6","0.6","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C6.5 H9 N O3.5 P Zn -","- C6.5 H8 N O3.5 P Zn -","- C26 H32 N4 O14 P4 Zn4 -","4","1","","Lin, Zhi-En; Fan, Wei; Gao, Feifei; Chino, Naotaka; Yokoi, Toshiyuki; Okubo, Tatsuya","A New Organically Templated Zinc Phosphite Synthesized in Phosphorous Acid Flux and Its Hydrothermal Analogue","Crystal Growth & Design","2006","6","11","2435","","10.1021/cg060466e","","","0.71073","MoKα","","0.0507","0.0385","","","0.0958","0.102","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508903","31.257","0.02","13.957","0.009","31.33","0.03","90","","115.118","0.007","90","","12375","16","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H38.5 Ag N5 Nd4 O27.75 -","- C62 H36 Ag N5 Nd4 O27.75 -","- C496 H288 Ag8 N40 Nd32 O222 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0815","0.042","","","0.0651","0.0765","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508904","30.992","0.003","13.9203","0.0015","31.222","0.005","90","","115.08","0.001","90","","12200","3","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Ag Eu4 N5 O27.5 -","- C62 H36 Ag Eu4 N5 O27.5 -","- C496 H288 Ag8 Eu32 N40 O220 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0897","0.0445","","","0.0685","0.0812","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508905","21.85","0.002","7.509","0.0007","27.37","0.003","90","","104.095","0.001","90","","4355.4","0.7","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N2 Nd O9 -","- C20 H12 Ag N2 Nd O9 -","- C160 H96 Ag8 N16 Nd8 O72 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Selected Controlled Synthesis of Three-Dimensional 4d−4f Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits and Silver Centers","Crystal Growth & Design","2006","6","11","2551","","10.1021/cg060485o","","","0.71073","MoKα","","0.0336","0.0284","","","0.0691","0.0719","","","","","","1.005","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508906","11.3359","0.0016","20.632","0.003","8.0994","0.0012","90","","94.359","0.003","90","","1888.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine","3:2 co-crystal of 4,4'-biphenol and 2-aminopyridine","","- C23 H21 N2 O3 -","- C23 H21 N2 O3 -","- C92 H84 N8 O12 -","4","1","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0865","0.0465","","","0.1252","0.1629","","","","","","0.94","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508907","6.6784","0.0009","15.13","0.002","22.084","0.003","90","","92.2","0.002","90","","2229.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:2 Co-crystal of 4,4'-biphenol and caprolactam","1:2 Co-crystal of 4,4'-biphenol and caprolactam","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","0.5","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0584","0.0405","","","0.1058","0.1107","","","","","","1.003","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508908","6.5876","0.0013","9.3924","0.0019","16.172","0.003","76.124","0.004","79.358","0.004","78.071","0.004","940.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1:2 co-crystal of resorcinol and caprolactam","1:2 co-crystal of resorcinol and caprolactam","","- C18 H18 N2 O3 -","- C18 H28 N2 O4 -","- C36 H56 N4 O8 -","2","1","","Bis, Joanna A.; McLaughlin, Olga L.; Vishweshwar, Peddy; Zaworotko, Michael J.","Supramolecular Heterocatemers and Their Role in Cocrystal Design","Crystal Growth & Design","2006","6","12","2648","","10.1021/cg060516f","","","0.71073","MoKα","","0.0871","0.0577","","","0.1524","0.1674","","","","","","0.971","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508909","9.4902","0.0007","13.9123","0.0013","16.7437","0.0014","83.044","0.003","75.802","0.005","88.309","0.005","2127.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 N2 O8 Pr -","- C25 H17 N2 O8 Pr -","- C50 H34 N4 O16 Pr2 -","2","1","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.087","0.0631","","","0.1535","0.1615","","","","","","0.941","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508910","21.6561","0.0004","23.9803","0.0005","30.9598","0.0009","90","","106.264","0.002","90","","15434.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H94 Cl3 Dy4 N14 O30 -","- C150 H94 Cl3 Dy4 N14 O30 -","- C600 H376 Cl12 Dy16 N56 O120 -","4","0.5","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.0913","0.0586","","","0.1561","0.1683","","","","","","1.022","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508911","16.153","0.0006","16.1512","0.0006","31.2991","0.001","99.842","0.002","99.877","0.002","96.6724","0.0018","7836.6","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H100 N14 Nd4 O30 -","- C150 H100 N14 Nd4 O30 -","- C300 H200 N28 Nd8 O60 -","2","1","","George, Sumod; Lipstman, Sophia; Goldberg, Israel","Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions","Crystal Growth & Design","2006","6","12","2651","","10.1021/cg060520r","","","0.71073","MoKα","","0.1873","0.092","","","0.1832","0.2116","","","","","","0.938","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508912","16.0503","0.0015","16.0503","0.0015","36.843","0.007","90","","90","","120","","8219.6","1.9","90","2","90","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C15 H14 Cu N3 O9.63 -","- C15 H14 Cu N3 O9.63 -","- C180 H168 Cu12 N36 O115.56 -","12","1","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.2243","0.1951","","","0.4607","0.4766","","","","","","1.94","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508913","21.435","0.002","21.435","0.002","11.382","0.002","90","","90","","90","","5229.6","1.1","90","2","90","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C17.27 H20 Cu N3 O7.27 -","- C17.272 H20 Cu N3 O7.272 -","- C138.176 H160 Cu8 N24 O58.176 -","8","0.5","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.1289","0.0956","","","0.3207","0.3515","","","","","","1.475","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508914","10.043","0.003","31.429","0.009","11.821","0.004","90","","92.98","0.005","90","","3726","2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cu2 N6 O18 -","- C30 H44 Cu2 N6 O18 -","- C120 H176 Cu8 N24 O72 -","4","1","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.1902","0.0846","","","0.1824","0.2133","","","","","","0.925","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508915","10.0247","0.0002","10.0247","0.0002","29.1741","0.0005","90","","90","","90","","2931.84","0.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","","","","- C29 H28 Fe N7 O5 S -","- C29 H28 Fe N7 O5 S -","- C116 H112 Fe4 N28 O20 S4 -","4","1","","Roth, Arne; Koth, Daniel; Gottschaldt, Michael; Plass, Winfried","An Inorganic Thymidine Helix: Design of Homochiral Helical Arrays","Crystal Growth & Design","2006","6","12","2655","","10.1021/cg060545q","","","0.71073","MoKα","","0.0659","0.0427","","","0.0798","0.0882","","","","","","1.03","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508916","15.217","0.003","24.475","0.005","15.889","0.003","90","","93.35","0.03","90","","5908","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H57 Ce N7 O41 W10 -","- C23 H57 Ce N7 O41 W10 -","- C92 H228 Ce4 N28 O164 W40 -","4","1","","Liu, Ce; Luo, Fang; Liu, Na; Cui, Yan; Wang, Xiang; Wang, Enbo; Chen, Ji","One-Dimensional Helical Chain Based on Decatungstate and Cerium Organic−Inorganic Hybrid Material","Crystal Growth & Design","2006","6","12","2658","","10.1021/cg060610w","","","0.71073","MoKα","","0.0791","0.0584","","","0.1402","0.1517","","","","","","1.049","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509848","16.9193","0.0008","10.2687","0.0005","14.6199","0.0006","90","","90.055","0.002","90","","2540","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O S -","- C33 H26 N2 O S -","- C132 H104 N8 O4 S4 -","4","1","","Venkateswararao, A.; Thomas, K. R. Justin; Lee, Chuan-Pei; Li, Chun-Ting; Ho, Kuo-Chuan","Organic Dyes Containing Carbazole as Donor and π-Linker: Optical, Electrochemical, and Photovoltaic Properties.","ACS applied materials & interfaces","2014","6","4","2528","2539","10.1021/am404948w","","","0.71073","MoKα","","0.0762","0.0448","","","0.12","0.1441","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509849","6.9547","0.0011","8.5168","0.0014","11.8751","0.0018","82.715","0.013","78.561","0.013","67.088","0.016","634.06","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 B F2 O4 -","- C12 H13 B F2 O4 -","- C24 H26 B2 F4 O8 -","2","1","","Zhang, Xuepeng; Xie, Tongqing; Cui, Minxin; Yang, Li; Sun, Xingxing; Jiang, Jun; Zhang, Guoqing","General design strategy for aromatic ketone-based single-component dual-emissive materials.","ACS applied materials & interfaces","2014","6","4","2279","2284","10.1021/am405209w","","","0.71073","MoKα","","0.0811","0.0538","","","0.128","0.152","","","","","","1.052","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510564","12.208","0.003","17.737","0.004","24.861","0.005","90","","115.658","0.009","90","","4852.4","1.9","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H86 Ge2 Mn2 N30 O80 Sn2 W18 -","- C16 H68 Ge2 Mn2 N30 O80 Sn2 W18 -","- C32 H136 Ge4 Mn4 N60 O160 Sn4 W36 -","2","0.5","","Sang, Xiaojing; Li, Jiansheng; Zhang, Lancui; Wang, Zanjiao; Chen, Weilin; Zhu, Zaiming; Su, Zhongmin; Wang, Enbo","A Novel Carboxyethyltin Functionalized Sandwich-type Germanotungstate: Synthesis, Crystal Structure, Photosensitivity, and Application in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2014","6","10","7876","7884","10.1021/am501192f","","","0.71073","MoKα","","0.1199","0.0574","","","0.1125","0.141","","","","","","0.986","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510881","17.2331","0.0008","17.2446","0.0007","27.9818","0.0014","92.121","0.004","91.996","0.004","112.639","0.004","7658.7","0.6","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C203 H195 Cl6 -","- C200 H196 -","- C400 H392 -","2","1","","Dam, Henk H.; Sun, Kuan; Hanssen, Eric; White, Jonathan M.; Marszalek, Tomasz; Pisula, Wojciech; Czolk, Jens; Ludwig, Jens; Colsmann, Alexander; Pfaff, Marina; Gerthsen, Dagmar; Wong, Wallace W. H.; Jones, David J.","Morphology Change and Improved Efficiency in Organic Photovoltaics via Hexa-peri-hexabenzocoronene Templates.","ACS applied materials & interfaces","2014","6","11","8824","8835","10.1021/am5015666","","","1.5418","CuKα","","0.1983","0.128","","","0.337","0.3971","","","","","","1.004","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4511430","6.756","0.0017","18.725","0.005","6.5954","0.0017","90","","109.716","0.005","90","","785.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cu N2 O6 -","- C6 H6 Cu N2 O6 -","- C24 H24 Cu4 N8 O24 -","4","1","","Yigit, Mehmet V.; Wang, Yu; Moulton, Brian; MacDonald, John C.","Generation of Linear Coordination Polymers ofcatena-[Diaqua-(μ-pyrazine-2,6-dicarboxylato-N,O,O‘-μ-N‘)copper(II) via in Situ Hydro(solvo)thermal Decarboxylation of Pyrazine-2,3,5,6-tetracarboxylic Acid","Crystal Growth & Design","2006","6","4","829","","10.1021/cg050621+","","","0.71073","MoKα","","0.0385","0.0325","","","0.0739","0.0761","","","","","","1.039","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511431","4.9095","0.0009","17.009","0.003","6.6979","0.0011","90","","101.833","0.015","90","","547.43","0.17","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C18 H34 N2 O12 -","2","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0484","","","","0.1107","","","","","","0.781","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511432","7.322","0.004","7.666","0.005","21.706","0.012","90","","90","","90","","1218.4","1.2","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C36 H76 N4 O28 -","4","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0577","","","","0.0989","","","","","","0.843","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511433","11.962","0.003","8.0971","0.0018","21.27","0.005","90","","101.282","0.004","90","","2020.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Ni3 O28 S2 -","- C32 H38 Ni3 O28 S2 -","- C64 H76 Ni6 O56 S4 -","2","0.5","","Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin","Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2006","6","10","2369","","10.1021/cg060343u","","","0.71073","MoKα","","0.077","0.0579","","","0.123","0.1273","","","","","","1.044","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511434","24.0689","0.0011","11.044","0.0005","14.1809","0.0007","90","","95.176","0.001","90","","3754.2","0.3","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Ag B F4 N10 O4 -","- C40 H30 Ag B F4 N10 O4 -","- C160 H120 Ag4 B4 F16 N40 O16 -","4","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0445","0.0375","","","0.0947","0.0974","","","","","","1.06","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511435","18.4052","0.0013","15.0034","0.001","29.98","0.002","90","","90.242","0.002","90","","8278.6","1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Ag B F4 N10 O5 -","- C43 H36 Ag B F4.01 N10 O5 -","- C344 H288 Ag8 B8 F32.08 N80 O40 -","8","2","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.092","0.0568","","","0.1184","0.1301","","","","","","0.99","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511436","8.2474","0.0005","16.7308","0.0009","17.3111","0.0009","96.448","0.001","100.949","0.001","103.818","0.001","2246","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Ag B F4 N10 O4 -","- C48 H46 Ag B F4 N10 O4 -","- C96 H92 Ag2 B2 F8 N20 O8 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0554","0.0451","","","0.1049","0.1094","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511437","17.1014","0.0003","17.1014","0.0003","31.0748","0.0014","90","","90","","90","","9088.1","0.5","150","1","150","1","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","","","- C48 H47 Ag B F4 N10 O4.5 -","- C48 H46 Ag B F4 N10 O4.5 -","- C384 H368 Ag8 B8 F32 N80 O36 -","8","1","","Reger, Daniel L.; Semeniuc, Radu F.; Elgin, J. Derek; Rassolov, Vitaly; Smith, Mark D.","1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement","Crystal Growth & Design","2006","6","12","2758","","10.1021/cg060460p","","","0.71073","MoKα","","0.0524","0.0452","","","0.1027","0.1058","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511438","22.347","0.004","15.636","0.003","17.756","0.003","90","","98.506","0.003","90","","6136","1.9","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C56.5 H74.5 Cl3 O5.75 -","- C56.5 H73 Cl3 O5.75 -","- C226 H292 Cl12 O23 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1439","0.1108","","","0.2615","0.2849","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511439","23.14","0.003","14.94","0.003","9.609","0.001","90","","90","","90","","3321.9","0.9","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C37 H34 Cl4 O5 -","- C37 H34 Cl5 O5 -","- C148 H136 Cl20 O20 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1092","0.0929","","","0.2544","0.2773","","","","","","1.068","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511440","18.639","0.004","11.066","0.002","28.419","0.006","90","","108.043","0.003","90","","5573","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H52 Cl6 O5 -","- C66.98 H51.98 Cl5.94 O5 -","- C267.92 H207.92 Cl23.76 O20 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Varying the Interplay of Calix[5]arenes through Chloromethane Inclusion","Crystal Growth & Design","2006","6","12","2783","","10.1021/cg0605279","","","0.71073","MoKα","","0.1544","0.0977","","","0.2421","0.2861","","","","","","1.046","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511441","21.3666","0.0006","9.2617","0.0002","15.476","0.0003","90","","92.479","0.001","90","","3059.7","0.12","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(4-methoxyphenyl)-9H-xanthen-9-ol","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Curtis, Elizabeth; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Jana H.","Xanthenol Clathrates: Structures and Solid−Solid Reactions","Crystal Growth & Design","2006","6","12","2716","","10.1021/cg060384q","","","0.71073","MoKα","","0.0945","0.0435","","","0.0885","0.1039","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511442","20.3386","0.0004","20.3386","0.0004","20.3386","0.0004","90","","90","","90","","8413.2","0.3","298","2","298","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","","","","- C26.67 H5.33 Cd9 N10.67 O25.33 S -","- C26.46 H5.28 Cd9 N10.56 O25.18 S -","- C105.84 H21.12 Cd36 N42.24 O100.72 S4 -","4","0.0416667","","Fang, Rui-Qing; Zhang, Xu-Hui; Zhang, Xian-Ming","A NaCl-like Metal−Organic Framework Constructed by Unprecedented Tetrahedral Cd4O6and Cd5O6Units","Crystal Growth & Design","2006","6","12","2637","","10.1021/cg060408t","","","0.71073","MoKα","","0.0494","0.0493","","","0.1342","0.1343","","","","","","1.217","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511443","12.9979","0.0011","16.3568","0.0013","17.6387","0.0015","100.161","0.002","108.258","0.002","111.232","0.002","3136.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H65 N17 O22 -","- C54 H65 N17 O22 -","- C108 H130 N34 O44 -","2","1","","Ravikumar, I.; Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut","Recognition of Water−Acetonitrile−Water Cluster in a Tetraprotonated Picrate Salt of Octaaminocryptand","Crystal Growth & Design","2006","6","12","2630","","10.1021/cg0603624","","","0.71073","MoKα","","0.1177","0.0731","","","0.1792","0.2079","","","","","","0.976","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511444","22.552","0.0009","12.9259","0.0004","7.2463","0.0002","90","","90","","90","","2112.33","0.12","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,5-bis(2-hydroxyethoxy)-1,4-bis(phenylethynyl)benzene","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","0.5","","Sanyal, Nibedita; Lahti, Paul M.","Hydrogen-Bond-Assisted, Crossed Dipole π-Stacking in 1,4-Bis(phenylethynyl)benzene","Crystal Growth & Design","2006","6","6","1253","","10.1021/cg060019z","","","0.71073","MoKα","","0.1942","0.1194","","","0.1455","0.1639","","","","","","1.245","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511445","8.5786","0.0012","10.446","0.0013","24.323","0.004","90","","98.27","0.008","90","","2157","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cd N2 O6.5 -","- C21 H26 Cd N2 O6.5 -","- C84 H104 Cd4 N8 O26 -","4","1","","Li, Feng; Li, Taohai; Li, Xiaoju; Li, Xing; Wang, Yuling; Cao, Rong","Synthesis of Chiral Coordination Polymers by Spontaneous Resolution","Crystal Growth & Design","2006","6","6","1458","","10.1021/cg0600905","","","0.71073","MoKα","","0.0793","0.0648","","","0.16","0.1716","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511446","5.7005","0.0012","7.8968","0.0017","5.5242","0.0012","90","","90","","90","","248.68","0.09","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La O3 Rh -","- La O3 Rh -","- La4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0356","0.029","","","0.0567","0.0588","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511447","5.7405","0.0002","7.8032","0.0003","5.4167","0.0002","90","","90","","90","","242.637","0.015","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Pr Rh -","- O3 Pr Rh -","- O12 Pr4 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0252","0.0221","","","0.044","0.0447","","","","","","1.161","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511448","5.7524","0.0003","7.7703","0.0004","5.3758","0.0003","90","","90","","90","","240.29","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Nd O3 Rh -","- Nd O3 Rh -","- Nd4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0309","0.0282","","","0.0623","0.0632","","","","","","1.105","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511449","5.7566","0.0003","7.7084","0.0004","5.3231","0.0003","90","","90","","90","","236.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Sm -","- O3 Rh Sm -","- O12 Rh4 Sm4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.033","0.0295","","","0.0553","0.0564","","","","","","1.115","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511450","5.7574","0.0003","7.6786","0.0004","5.2978","0.0003","90","","90","","90","","234.21","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu O3 Rh -","- Eu O3 Rh -","- Eu4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0255","0.0246","","","0.0569","0.0574","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511451","5.7454","0.0003","7.6254","0.0005","5.2538","0.0003","90","","90","","90","","230.17","0.02","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Rh Tb -","- O3 Rh Tb -","- O12 Rh4 Tb4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0355","0.0295","","","0.05","0.0512","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511452","5.5242","0.0012","5.7005","0.0012","7.8968","0.0017","90","","90","","90","","248.68","0.09","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- La O3 Rh -","- La O3 Rh -","- La4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0356","0.029","","","0.0567","0.0588","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511453","5.4167","0.0002","5.7405","0.0002","7.8032","0.0003","90","","90","","90","","242.637","0.015","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Pr Rh -","- O3 Pr Rh -","- O12 Pr4 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0252","0.0221","","","0.044","0.0446","","","","","","1.161","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511454","5.3758","0.0003","5.7524","0.0003","7.7703","0.0004","90","","90","","90","","240.29","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Nd O3 Rh -","- Nd O3 Rh -","- Nd4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0309","0.0282","","","0.0623","0.0632","","","","","","1.105","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511455","5.3231","0.0003","5.7566","0.0003","7.7084","0.0004","90","","90","","90","","236.21","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Rh Sm -","- O3 Rh Sm -","- O12 Rh4 Sm4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.033","0.0295","","","0.0553","0.0564","","","","","","1.115","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511456","5.2978","0.0003","5.7574","0.0003","7.6786","0.0004","90","","90","","90","","234.21","0.02","294","1","294","2","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Eu O3 Rh -","- Eu O3 Rh -","- Eu4 O12 Rh4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0255","0.0246","","","0.057","0.0574","","","","","","1.141","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511457","5.2538","0.0003","5.7454","0.0003","7.6254","0.0005","90","","90","","90","","230.17","0.02","294","1","294","1","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Rh Tb -","- O3 Rh Tb -","- O12 Rh4 Tb4 -","4","0.5","","Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth and Single-Crystal Structures ofRERhO3(RE= La, Pr, Nd, Sm, Eu, Tb) Orthorhodites from a K2CO3Flux","Crystal Growth & Design","2006","6","6","1361","","10.1021/cg050605c","","","0.71073","MoKα","","0.0355","0.0295","","","0.0499","0.0512","","","","","","1.067","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511458","24.82","0.0005","24.82","0.0005","24.82","0.0005","90","","90","","90","","15289.9","0.5","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C12 H44 Cu6 N18 O19 -","- C12 H12 Cu6 N18 O19 -","- C192 H192 Cu96 N288 O304 -","16","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0557","0.0557","","","0.141","0.141","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511459","11.6208","0.0007","11.6208","0.0007","5.964","0.0008","90","","90","","120","","697.49","0.11","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H6 Cl3 Cu4 N9 O -","- C6 H6 Cl3 Cu4 N9 O -","- C12 H12 Cl6 Cu8 N18 O2 -","2","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0451","0.0432","","","0.0823","0.0831","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511460","6.764","0.004","6.981","0.004","12.338","0.007","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 H2 Cl2 Cu2 N3 -","- C2 H2 Cl2 Cu2 N3 -","- C8 H8 Cl8 Cu8 N12 -","4","0.25","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0272","0.0268","","","0.0636","0.0638","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511461","15.7921","0.0003","20.8796","0.0002","15.6669","0.0004","90","","90","","90","","5165.89","0.17","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H8 Cd3 N10 O2 S6 -","- C14 H8 Cd3 N10 O2 S6 -","- C112 H64 Cd24 N80 O16 S48 -","8","0.5","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Batten, Stuart R.","A Novel Acentric Three-Dimensional Network with Complicated Topology","Crystal Growth & Design","2006","6","6","1261","","10.1021/cg060037g","","","0.71073","MoKα","","0.0222","0.0199","","","0.0436","0.0444","","","","","","1.052","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511462","17.18","0.003","15.269","0.003","12.1374","0.0019","90","","108.606","0.003","90","","3017.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H10.5 Br2 Cd N3.5 O0.5 -","- C12.5 H10.5 Br2 Cd N3.5 O0.5 -","- C100 H84 Br16 Cd8 N28 O4 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0451","0.0364","","","0.0887","0.093","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511463","11.4604","0.0014","16.882","0.002","9.3032","0.0013","90","","106.605","0.011","90","","1724.9","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver(I) imidazolate","","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C48 H48 Ag16 N32 -","16","4","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.031","0.0252","","","0.0572","0.0596","","","","","","1.044","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511464","10.1747","0.0016","6.8415","0.0009","23.881","0.002","90","","90","","90","","1662.4","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","silver(I) imidazolate","","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C48 H48 Ag16 N32 -","16","2","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.0354","0.0272","","","0.0627","0.067","","","","","","1.064","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511465","16.1207","0.0017","16.1229","0.0017","13.1021","0.0014","90","","99.85","0.002","90","","3355.2","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","copper(I) imidazolate","","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C96 H96 Cu32 N64 -","32","4","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.1084","0.0554","","","0.123","0.1463","","","","","","1.002","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511466","5.41","0.002","6.943","0.003","33.058","0.012","90","","97.647","0.008","90","","1230.7","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","copper(I) imidazolate","","","- C3 H3 Cu N2 -","- C3 H3 Cu N2 -","- C36 H36 Cu12 N24 -","12","3","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.094","0.0567","","","0.109","0.1282","","","","","","1.082","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511467","8.2519","0.0018","11.814","0.003","22.267","0.005","90","","90","","90","","2170.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N6 O4 -","- C22 H20 N6 O4 -","- C88 H80 N24 O16 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0607","0.0457","","","0.1058","0.116","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511468","6.169","0.002","22.252","0.009","10.396","0.003","90","","116.387","0.017","90","","1278.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N3 O6 -","- C12 H8 N3 O6 -","- C48 H32 N12 O24 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.1393","0.0817","","","0.2378","0.2497","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511469","5.6782","0.0017","21.221","0.006","10.394","0.003","90","","91.946","0.004","90","","1251.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N6 O12 -","- C24 H16 N6 O12 -","- C48 H32 N12 O24 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0444","0.033","","","0.0754","0.0805","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511470","8.175","0.004","6.719","0.003","11.189","0.005","90","","98.991","0.006","90","","607","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0443","0.0341","","","0.0809","0.0849","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511471","7.8399","0.0019","6.8494","0.0017","20.788","0.005","90","","92.555","0.004","90","","1115.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C48 H36 N8 O16 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.1016","0.0442","","","0.1054","0.1306","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511472","4.2446","0.0009","23.732","0.005","13.884","0.003","90","","97.441","0.004","90","","1386.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0846","0.0441","","","0.1068","0.1269","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511473","13.1877","0.0014","9.1381","0.001","17.334","0.0018","90","","90.751","0.002","90","","2088.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Cu2 Mo N16 -","- C8 H24 Cu2 Mo N16 -","- C32 H96 Cu8 Mo4 N64 -","4","1","","Wang, Zhao-Xi; Zhang, Peng; Shen, Xiao-Fei; Song, You; You, Xiao-Zeng; Hashimoto, Kazuhito","Syntheses, Structures, and Properties of Two Three-Dimensional Octacyanometalate-Based Polymers: Cs2Cu3[W(CN)8]2·4NH3·4H2O and Cu2[Mo(CN)8]·8NH3","Crystal Growth & Design","2006","6","11","2457","","10.1021/cg050555b","","","0.71073","MoKα","","0.0495","0.0345","","","0.0628","0.0656","","","","","","0.916","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511474","11.309","0.002","13.025","0.003","13.279","0.003","113.67","0.03","95.36","0.03","105.41","0.03","1682.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 Cu N6 S4 -","- C32 H22 Cl2 Cu N6 S4 -","- C64 H44 Cl4 Cu2 N12 S8 -","2","1","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.0345","0.0314","","","0.087","0.0912","","","","","","1.08","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511475","11.175","0.002","12.045","0.002","15.013","0.003","86.38","0.03","70.02","0.03","65.19","0.03","1716.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cu I2 N6 S4 -","- C32 H22 Cu I2 N6 S4 -","- C64 H44 Cu2 I4 N12 S8 -","2","1","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.047","0.031","","","0.0686","0.0742","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511476","13.846","0.007","12.157","0.005","10.303","0.003","90","","106.9","0.02","90","","1659.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H22 Cu F2 N6 S4 -","- C32 H22 Cu F2 N6 S4 -","- C64 H44 Cu2 F4 N12 S8 -","2","0.25","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.7107","MoKα","","0.0311","0.027","","","0.0713","0.0731","","","","","","1.047","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511477","12.704","0.003","17.768","0.004","21.609","0.004","108.07","0.03","96.9","0.03","95.44","0.03","4558","2","223","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cu N10 S4 -","- C24 H32 Cu N10 S4 -","- C144 H192 Cu6 N60 S24 -","6","3","","Ren, X. M.; Ni, Z. P.; Noro, S.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Sui, Y. X.; Song, Y.","Diversities of Coordination Geometry at Cu2+Center in the Bis(maleonitriledithiolato)cuprate Complexes: Syntheses, Magnetic Properties, X-ray Crystal Structural Analyses, and DFT Calculations","Crystal Growth & Design","2006","6","11","2530","","10.1021/cg0602966","","","0.71073","MoKα","","0.1034","0.0529","","","0.1209","0.1524","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511478","24.488","0.004","4.749","0.001","22.065","0.003","90","","110.87","0.01","90","","2397.7","0.7","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H24 O6 -","- C30 H18 O6 -","- C120 H72 O24 -","4","1","","Vergadou, Vassiliki; Pistolis, George; Michaelides, Adonis; Varvounis, George; Siskos, Michael; Boukos, Nikos; Skoulika, Stavroula","Self-Organization of Four Symmetric Tri-phenyl-benzene Derivatives","Crystal Growth & Design","2006","6","11","2486","","10.1021/cg060183m","","","0.71073","MoKα","","0.1055","0.0629","","","0.1791","0.2244","","","","","","0.927","","","","has coordinates","287904","2023-11-30","17:49:47",""
"4511479","14.447","0.001","18.806","0.001","21.515","0.001","90","","90","","90","","5845.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C288 H180 Cl36 -","12","3","","Vergadou, Vassiliki; Pistolis, George; Michaelides, Adonis; Varvounis, George; Siskos, Michael; Boukos, Nikos; Skoulika, Stavroula","Self-Organization of Four Symmetric Tri-phenyl-benzene Derivatives","Crystal Growth & Design","2006","6","11","2486","","10.1021/cg060183m","","","1.54178","CuKα","","0.1053","0.0749","","","0.2001","0.2491","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511480","14.381","0.006","9.979","0.004","16.373","0.007","90","","110.993","0.006","90","","2193.7","1.6","298","2","298","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C14 H18 Ag F6 N4 O S2 Sb -","- C14 H18 Ag F6 N4 O S2 Sb -","- C56 H72 Ag4 F24 N16 O4 S8 Sb4 -","4","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0972","0.062","","","0.1569","0.1743","","","","","","0.917","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511481","17.353","0.009","20.233","0.01","18.235","0.009","90","","90","","90","","6402","6","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C132 H144 Ag12 Cl24 F72 N48 S24 Sb12 -","4","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0768","0.0578","","","0.131","0.1435","","","","","","1.048","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511482","13.044","0.0019","13.044","0.0019","18.275","0.004","90","","90","","120","","2692.8","0.8","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C11 H10 Ag F3 N4 O3 S3 -","- C11 H10 Ag F3 N4 O3 S3 -","- C66 H60 Ag6 F18 N24 O18 S18 -","6","0.5","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0701","0.0519","","","0.1432","0.1528","","","","","","1.09","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511483","20.934","0.006","9.529","0.003","10.578","0.003","90","","115.762","0.004","90","","1900.4","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Ag2 N4 O8 P2 S2 -","- C10 H14 Ag2 N4 O8 P2 S2 -","- C40 H56 Ag8 N16 O32 P8 S8 -","4","0.5","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.106","0.0871","","","0.2105","0.2233","","","","","","1.171","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511484","20.606","0.009","9.489","0.004","9.697","0.004","90","","117.339","0.005","90","","1684.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.86 H2.86 Ag0.57 N1.71 O1.71 S0.57 -","- C2.85714 H2.85714 Ag0.571429 N1.71429 O1.71429 S0.571429 -","- C40 H40 Ag8 N24 O24 S8 -","14","1.75","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0461","0.0393","","","0.0978","0.102","","","","","","1.045","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511485","16.622","0.003","16.622","0.003","17.733","0.006","90","","90","","90","","4899","2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H24 Br2 Cu2 N4 -","- C24 H24 Br2 Cu2 N4 -","- C192 H192 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0814","","","","","","0.828","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511486","13.543","0.001","6.9515","0.0005","30.757","0.002","90","","101.314","0.001","90","","2839.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu4 N8 -","- C28 H24 Cu4 N8 -","- C112 H96 Cu16 N32 -","4","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0861","0.0552","","","0.1427","0.1647","","","","","","1.014","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511487","12.2098","0.001","12.2098","0.001","35.803","0.004","90","","90","","90","","5337.5","0.9","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H28 Br2 Cu2 N4 -","- C26 H28 Br2 Cu2 N4 -","- C208 H224 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0938","0.0641","","","0.1492","0.1666","","","","","","1.021","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511488","16.072","0.002","13.1","0.002","8.4752","0.0013","90","","94.335","0.003","90","","1779.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H36 Cu2 I2 N4 -","- C33 H28 Cu2 I2 N4 -","- C66 H56 Cu4 I4 N8 -","2","0.25","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0502","0.0414","","","0.1081","0.1148","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511489","15.7611","0.0017","13.149","0.0014","8.4107","0.0009","90","","94.423","0.002","90","","1737.9","0.3","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H36 Cu2 I2 N4 -","- C36 H36 Cu2 I2 N4 -","- C72 H72 Cu4 I4 N8 -","2","0.25","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0428","0.0384","","","0.0977","0.1002","","","","","","1.106","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511490","8.0039","0.0005","10.7289","0.0007","11.3359","0.0008","78.363","0.001","87.116","0.001","79.89","0.001","938.52","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Co N3 O9.28 -","- C15 H21 Co N3 O9.28 -","- C30 H42 Co2 N6 O18.56 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems","Crystal Growth & Design","2006","6","8","1903","","10.1021/cg0600344","","","0.71073","MoKα","","0.0308","0.0282","","","0.0767","0.0861","","","","","","1.111","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511491","7.6462","0.0014","9.2014","0.0014","16.206","0.003","94.147","0.005","100.299","0.009","100.984","0.007","1094.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)2(H2O)3Fe(CN)6.H2O","Sm(DMF)2(H2O)3Fe(CN)6.H2O","","- C12 H22 Fe N8 O6 Sm -","- C12 H18 Fe N8 O6 Sm -","- C24 H36 Fe2 N16 O12 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0241","0.0221","","","0.0551","0.0561","","","","","","1.013","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511492","7.601","0.003","9.118","0.003","16.151","0.006","94.084","0.004","100.419","0.002","101.136","0.004","1073.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)2(H2O)3Co(CN)6×H2O","Sm(DMF)2(H2O)3Co(CN)6×H2O","","- C12 H22 Co N8 O6 Sm -","- C12 H18 Co N8 O6 Sm -","- C24 H36 Co2 N16 O12 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0425","0.037","","","0.0837","0.0857","","","","","","0.993","","","","has coordinates","194587","2020-10-21","18:00:00",""
"4511493","7.555","0.003","9.136","0.004","13.022","0.006","78.771","0.011","85.126","0.011","79.362","0.011","865.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)(H2O)3Fe(CN)6.H2O","Sm(DMF)(H2O)3Fe(CN)6.H2O","","- C9 H15 Fe N7 O5 Sm -","- C9 H11 Fe N7 O5 Sm -","- C18 H22 Fe2 N14 O10 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.0565","0.0436","","","0.0801","0.0867","","","","","","1.058","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511494","7.5205","0.001","9.0527","0.0012","12.9486","0.0017","78.759","0.002","85.256","0.002","79.314","0.002","848.65","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm(DMF)(H2O)3Co(CN)6.H2O","Sm(DMF)(H2O)3Co(CN)6.H2O","","- C9 H15 Co N7 O5 Sm -","- C9 H11 Co N7 O5 Sm -","- C18 H22 Co2 N14 O10 Sm2 -","2","1","","Chen, Wen-Tong; Wang, Ming-Sheng; Cai, Li-Zhen; Xu, Gang; Akitsu, Takashiro; Akita-Tanaka, Motoko; Guo,; Huang, Jin-Shun","An Effective Approach to Layered Structures of Hybrid Prussian Blue Complexes: Monolayered [Sm(DMF)2(H2O)3(μ-CN)3M(CN)3]n·nH2O and Bilayered [Sm(DMF)(H2O)3(μ-CN)4M(CN)2]n·nH2O (M = Fe, Co)","Crystal Growth & Design","2006","6","8","1738","","10.1021/cg060199c","","","0.71073","MoKα","","0.1068","0.0653","","","0.1227","0.1423","","","","","","1.029","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511495","3.8178","0.0008","13.831","0.003","12.05","0.002","90","","91.53","0.03","90","","636.1","0.2","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[3-Br-pyridine]CuCl2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes","Crystal Growth & Design","2006","6","8","1833","","10.1021/cg060154b","","","0.71073","MoKα","","0.0256","0.0229","","","0.0566","0.0576","","","","","","1.075","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511496","16.593","0.003","12.867","0.003","7.4962","0.0015","90","","97.97","0.03","90","","1585","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H19 Ag2 I3 N -","- C8 H19 Ag2 I3 N -","- C32 H76 Ag8 I12 N4 -","4","0.5","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0461","0.0383","","","0.1047","0.1207","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511497","20.2499","0.0007","12.9941","0.0004","28.9782","0.001","90","","90","","90","","7625","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H42 Ag5 I7 N2 -","- C18 H42 Ag5 I7 N2 -","- C144 H336 Ag40 I56 N16 -","8","1","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0806","0.0337","","","0.0729","0.0785","","","","","","0.739","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511498","12.9629","0.0009","13.3347","0.0013","9.8965","0.0008","107.072","0.004","107.205","0.003","67.315","0.005","1476.1","0.2","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Ag4 I6 N2 -","- C12 H30 Ag4 I6 N2 -","- C24 H60 Ag8 I12 N4 -","2","1","","Li, Hao-Hong; Chen, Zhi-Rong; Li, Jun-Qian; Huang, Chang-Cang; Zhang, Yong-Fan; Jia, Gui-Xiao","Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers","Crystal Growth & Design","2006","6","8","1813","","10.1021/cg060123g","","","0.71073","MoKα","","0.0446","0.0354","","","0.0962","0.1013","","","","","","1.069","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511499","8.377","0.005","13.291","0.008","17.116","0.01","90","","97.93","0.009","90","","1887.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O5 Zn -","- C17 H20 N4 O5 Zn -","- C68 H80 N16 O20 Zn4 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0435","0.0318","","","0.0777","0.0832","","","","","","1.087","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511500","8.3127","0.0017","13.613","0.003","16.817","0.003","90","","98.21","0.03","90","","1883.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Mn2 N8 O10 -","- C34 H40 Mn2 N8 O10 -","- C68 H80 Mn4 N16 O20 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.1026","0.0732","","","0.1964","0.209","","","","","","1.029","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511501","8.8184","0.0018","12.627","0.003","7.4326","0.0015","90","","90.86","0.03","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O8 Zn -","- C12 H14 N6 O8 Zn -","- C24 H28 N12 O16 Zn2 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0887","0.0421","","","0.0701","0.0789","","","","","","0.967","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511502","9.085","0.006","12.926","0.009","7.293","0.005","90","","90.147","0.011","90","","856.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cd N6 O8 -","- C12 H10 Cd N6 O8 -","- C24 H20 Cd2 N12 O16 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand","Crystal Growth & Design","2006","6","8","1897","","10.1021/cg060173l","","","0.71073","MoKα","","0.0806","0.0674","","","0.1345","0.1399","","","","","","1.168","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511503","18.567","0.004","9.934","0.002","30.764","0.006","90","","90","","90","","5674","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H55 Cl2 Cu N11 O20 -","- C52 H44 Cl2 Cu N11 O18 -","- C208 H176 Cl8 Cu4 N44 O72 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.1452","0.0839","","","0.1669","0.2002","","","","","","1.042","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511504","17.943","0.003","17.943","0.003","13.252","0.003","90","","90","","120","","3694.9","1.2","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C34 H48 Cl2 Cu N8 O16 -","- C32 H36 Cl2 Cu N8 O16 -","- C96 H108 Cl6 Cu3 N24 O48 -","3","1","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.094","0.0767","","","0.1895","0.2122","","","","","","1.288","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511505","12.493","0.0018","12.493","0.0018","31.885","0.006","90","","90","","90","","4976.5","1.4","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C32 H40 Cu F12 N8 O6 P2 -","- C32 H36 Cu F6 N8 O6 P -","- C128 H144 Cu4 F24 N32 O24 P4 -","4","0.5","","Sarkar, Madhushree; Biradha, Kumar","Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange","Crystal Growth & Design","2006","6","8","1742","","10.1021/cg060216y","","","0.71073","MoKα","","0.0664","0.0492","","","0.1085","0.1316","","","","","","1.114","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511506","5.499","0.002","15.17","0.006","12.288","0.005","90","","100.222","0.003","90","","1008.8","0.7","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","","Yamasaki, Ryu; Tanatani, Aya; Azumaya, Isao; Masu, Hyuma; Yamaguchi, Kentaro; Kagechika, Hiroyuki","Solvent-Dependent Conformational Switching ofN-Phenylhydroxamic Acid and Its Application in Crystal Engineering","Crystal Growth & Design","2006","6","9","2007","","10.1021/cg060151z","","","0.71073","MoKα","","0.0286","0.0285","","","0.0759","0.0763","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511507","7.1139","0.0014","9.9556","0.0011","10.7313","0.0018","90","","108.277","0.007","90","","721.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Cd I N5 -","- C2 H4 Cd I N5 -","- C8 H16 Cd4 I4 N20 -","4","1","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0384","0.0331","","","0.0887","0.093","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511508","11.472","0.0006","15.0892","0.0008","14.9771","0.001","90","","94.601","0.003","90","","2584.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cd3 Cl6 N16 -","- C32 H64 Cd3 Cl6 N16 -","- C64 H128 Cd6 Cl12 N32 -","2","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0433","0.0387","","","0.102","0.1062","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511509","7.6304","0.0006","9.2864","0.0008","9.846","0.0008","90","","100.126","0.003","90","","686.81","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cl N3 Zn -","- C4 H6 Cl N3 Zn -","- C16 H24 Cl4 N12 Zn4 -","4","1","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0302","0.028","","","0.0731","0.0748","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511510","8.172","","8.8068","0.0001","11.0669","0.0001","67.496","0.009","75.765","0.01","70.771","0.009","688.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cd2 Cl4 N10 -","- C24 H18 Cd2 Cl4 N10 -","- C24 H18 Cd2 Cl4 N10 -","1","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0323","0.0301","","","0.0791","0.0812","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511511","9.089","0.003","9.179","0.003","9.24","0.003","70.89","0.02","71.71","0.02","62.637","0.017","634.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cd3 Cl6 N16 -","- C8 H16 Cd3 Cl6 N16 -","- C8 H16 Cd3 Cl6 N16 -","1","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0263","0.0239","","","0.0614","0.0626","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511512","17.7817","0.0008","9.9732","0.0004","20.6967","0.0009","90","","90","","90","","3670.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Cd3 N34 -","- C16 H32 Cd3 N34 -","- C64 H128 Cd12 N136 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0998","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511513","9.6258","0.0011","5.7297","0.0005","12.1226","0.0013","90","","100.094","0.006","90","","658.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N10 S2 -","- C6 H8 Cd N10 S2 -","- C12 H16 Cd2 N20 S4 -","2","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0325","0.0269","","","0.0634","0.067","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511514","7.5093","0.0011","9.912","0.0013","17.457","0.002","90","","90","","90","","1299.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cl N9 Zn2 -","- C6 H6 Cl N9 Zn2 -","- C24 H24 Cl4 N36 Zn8 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0755","0.0595","","","0.1158","0.1247","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511515","13.6919","0.0016","13.6919","0.0016","21.789","0.005","90","","90","","120","","3537.5","1","298","2","298","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0861","0.073","","","0.1382","0.1428","","","","","","1.313","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511516","13.6937","0.0007","13.6937","0.0007","21.345","0.002","90","","90","","120","","3466.3","0.4","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0641","0.0513","","","0.095","0.0992","","","","","","1.293","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511517","13.6974","0.0006","13.6974","0.0006","21.3258","0.0017","90","","90","","120","","3465.1","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","Methylpyrazine dicarboxylic acid","5-Methyl-pyrazine-2, 3-dicarboxylic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C126 H108 N36 O72 -","18","3","","Babu, N. Jagadeesh; Nangia, Ashwini","MultipleZ‘ in Carboxylic Acid−Pyridine Trimer Synthon and Kagomé Lattice in the Structure of 5-Methylpyrazine-2,3-dicarboxylic Acid","Crystal Growth & Design","2006","6","9","1995","","10.1021/cg060180+","","","0.71073","MoKα","","0.0568","0.0458","","","0.0956","0.1009","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511518","11.6184","0.0009","8.7812","0.0007","19.5406","0.0014","90","","107.604","0.004","90","","1900.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0431","0.0374","","","0.0985","0.1033","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511519","5.959","0.002","28.662","0.01","11.742","0.004","90","","90.291","0.008","90","","2005.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.2674","0.095","","","0.1146","0.1496","","","","","","0.757","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511520","11.4535","0.0017","6.0276","0.0009","28.959","0.004","90","","95.913","0.002","90","","1988.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0737","0.0639","","","0.1337","0.1385","","","","","","1.214","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511521","6.03","0.002","11.418","0.004","15.165","0.006","102.599","0.007","96.607","0.007","90.049","0.009","1011.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0942","0.0565","","","0.1298","0.1528","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511522","8.5473","0.0018","21.118","0.004","21.555","0.005","90","","99.894","0.004","90","","3832.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Br2 N2 O4 -","- C42 H36 Br2 N2 O4 -","- C168 H144 Br8 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.1564","0.0894","","","0.2523","0.285","","","","","","0.926","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511523","8.552","0.003","10.137","0.003","12.372","0.004","85.68","0.005","78.101","0.005","87.955","0.005","1046.3","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 Cl N O2.5 -","- C23 H23 Cl N O2.5 -","- C46 H46 Cl2 N2 O5 -","2","2","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0434","0.0428","","","0.1229","0.1236","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511524","20.764","0.012","9.877","0.006","9.959","0.006","90","","106.38","0.009","90","","1960","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0343","0.034","","","0.0823","0.0827","","","","","","1.118","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511525","10.6433","0.0007","17.6587","0.0009","39.085","0.003","90","","90","","90","","7345.9","0.8","296","2","296","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C33 H20 O9 -","- C33 H20 O9 -","- C264 H160 O72 -","8","1","","Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel","Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid","Crystal Growth & Design","2006","6","9","1991","","10.1021/cg060007d","","","1.54178","CuKα","","0.2683","0.1919","","","0.4323","0.4975","","","","","","1.492","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511526","17.7652","0.0008","13.7052","0.0006","18.1833","0.0009","90","","111.348","0.001","90","","4123.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Co2 N8 O8 -","- C45 H36 Co2 N8 O8 -","- C180 H144 Co8 N32 O32 -","4","1","","Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel","Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid","Crystal Growth & Design","2006","6","9","1991","","10.1021/cg060007d","","","0.71073","MoKα","","0.0805","0.0524","","","0.14","0.1563","","","","","","1.034","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511527","9.5269","0.0007","6.4027","0.0005","10.5813","0.0008","90","","99.913","0.001","90","","635.8","0.08","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Cl Cu N2 O3 -","- C12 H13 Cl Cu N2 O3 -","- C24 H26 Cl2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0367","0.034","","","0.0824","0.084","","","","","","1.099","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511528","9.5793","0.0008","6.404","0.0005","10.7646","0.0009","90","","100.534","0.001","90","","649.23","0.09","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 Br Cu N2 O3 -","- C12 H13 Br Cu N2 O3 -","- C24 H26 Br2 Cu2 N4 O6 -","2","0.5","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0334","0.0285","","","0.0695","0.0722","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511529","6.9205","0.0017","9.2257","0.0009","10.4996","0.0014","100.529","0.01","97.798","0.017","92.593","0.013","651.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl Cu N2 O2 -","- C13 H13 Cl Cu N2 O2 -","- C26 H26 Cl2 Cu2 N4 O4 -","2","1","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0482","0.0315","","","0.0754","0.082","","","","","","1.028","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511530","6.8991","0.0017","9.3473","0.0009","10.6527","0.0015","100.277","0.01","98.699","0.015","91.912","0.013","666.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br Cu N2 O2 -","- C13 H13 Br Cu N2 O2 -","- C26 H26 Br2 Cu2 N4 O4 -","2","1","","Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil","Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures","Crystal Growth & Design","2006","6","9","2103","","10.1021/cg060305a","","","0.71073","MoKα","","0.0385","0.0313","","","0.0883","0.1004","","","","","","1.164","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511627","12.5208","0.001","10.0602","0.0005","16.3679","0.0014","90","","103.221","0.003","90","","2007.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis[4'-(N,N-di(4""-hydroxyphenyl)amino)- 2',6'-dihydroxyphenyl]squaraine","","- C46 H40 N2 O12 -","- C46 H40 N2 O12 -","- C92 H80 N4 O24 -","2","0.5","","Karak, Supravat; Homnick, Paul J.; Della Pelle, Andrea M.; Bae, Youngju; Duzhko, Volodimyr V.; Liu, Feng; Russell, Thomas P.; Lahti, Paul M.; Thayumanavan, S.","Crystallinity and morphology effects on a solvent-processed solar cell using a triarylamine-substituted squaraine.","ACS applied materials & interfaces","2014","6","14","11376","11384","10.1021/am501965d","","","0.71073","MoKα","","0.1305","0.0673","","","0.1861","0.2288","","","","","","1.024","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512026","6.745","0.0002","33.3782","0.0009","33.0577","0.0011","90","","90","","90","","7442.5","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3,6-bis(N,N-dianisylamino)-fluoren-9-ylidene malononitrile","3,6-bis-(N,N-di-(4-methoxyphenyl)amino)-fluoren-9-ylidene malononitrile","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C352 H272 N32 O32 -","8","2","","Karak, Supravat; Homnick, Paul J.; Renna, Lawrence A.; Venkataraman, D.; Mague, Joel T.; Lahti, Paul M.","Solution-Processed Photovoltaics with a 3,6-Bis(diarylamino)fluoren-9-ylidene Malononitrile.","ACS applied materials & interfaces","2014","6","19","16476","16480","10.1021/am504993j","","","1.54178","CuKα","","0.1541","0.1149","","","0.2794","0.307","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512209","8.83","0.0014","12.7274","0.0014","12.7974","0.0017","81","0.003","72.859","0.003","72.567","0.002","1307.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H90 O4 -","- C58 H90 O4 -","- C58 H90 O4 -","1","0.5","","Narasimha, Karnati; Jayakannan, Manickam","π-Conjugated polymer anisotropic organogel nanofibrous assemblies for thermoresponsive photonic switches.","ACS applied materials & interfaces","2014","6","21","19385","19396","10.1021/am505479z","","","0.71073","MoKα","","0.1198","0.083","","","0.2228","0.2515","","","","","","1.074","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512949","6.8275","0.0004","21.568","0.0013","11.9397","0.0007","90","","101.777","0.0017","90","","1721.17","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20.88 I N5 O1.44 -","- C15 H20 I N5 O1.437 -","- C60 H80 I4 N20 O5.748 -","4","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0302","0.0232","","","0.0507","0.0534","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512950","5.9981","0.0004","7.7485","0.0005","19.4519","0.0013","90","","93.6786","0.0018","90","","902.19","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N3 O -","- C17 H22 I N3 O -","- C34 H44 I2 N6 O2 -","2","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0621","0.0424","","","0.0941","0.1026","","","","","","1.087","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4512951","8.6169","0.0005","21.6556","0.0011","9.0042","0.0005","90","","114.328","0.0015","90","","1531.02","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I6 N4 -","- C20 H30 I6 N4 -","- C40 H60 I12 N8 -","2","0.5","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0397","0.0281","","","0.0655","0.0699","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513391","17.538","","7.6832","","18.881","","90","","107.628","","90","","2424.71","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ba (H N (C H2 P O3 H)3 (H2 O))","","- C3 H7 Ba N O10 P3 -","- C3 H7 Ba N O10 P3 -","- C24 H56 Ba8 N8 O80 P24 -","8","2","","Demadis, K.D.; Katarachia, S.D.; Raptis, R.G.; Zhao, H.; Baran, P.","Alkaline earth metal organotrihosphonates: inorganic-organic polymeric hybrids from dication-dianion association","Crystal Growth and Design","2006","6","","836","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513416","11.089","","21.674","","6.521","","90","","125.44","","90","","1276.9","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","((C H3)2 N H2) (Cd2 Cl5 (H2 O)) (H2 O)","","- C2 H12 Cd2 Cl5 N O2 -","- C2 Cd2 Cl5 N O2 -","- C8 Cd8 Cl20 N4 O8 -","4","1","","Thorn, A.; Twamley, B.; Willett, R.D.","Novel series of ribbon structures in dialkylammonium chlorocadmates obtained by dimensional reduction of the hexagonal Cd Cl2 lattice","Crystal Growth and Design","2006","6","","1134","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513655","7.2656","0.0008","15.5315","0.0016","12.533","0.0013","90","","93.44","0.002","90","","1411.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C56 H68 Cl4 N8 O12 -","4","1","","Egorova, Ksenia S.; Seitkalieva, Marina M.; Posvyatenko, Alexandra V.; Khrustalev, Victor N.; Ananikov, Valentine P.","Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding.","ACS medicinal chemistry letters","2015","6","11","1099","1104","10.1021/acsmedchemlett.5b00258","","","0.71073","MoKα","","0.1072","0.0752","","","0.1579","0.1696","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513658","7.2066","0.0003","9.6275","0.0003","9.8499","0.0003","84.696","0.002","74.028","0.002","81.042","0.002","648.12","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Handore, Kishor L.; Jadhav, Prakash D.; Hazra, Bibhabasu; Basu, Anirban; Reddy, D. Srinivasa","Total Syntheses and Biological Evaluation of (±)-Botryosphaeridione, (±)-Pleodendione, 4-epi-Periconianone B, and Analogues.","ACS medicinal chemistry letters","2015","6","11","1117","1121","10.1021/acsmedchemlett.5b00241","","","0.71073","MoKα","","0.0659","0.0513","","","0.1021","0.1081","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513735","8.6895","0.0004","9.8563","0.0006","30.266","0.002","90","","94.399","0.005","90","","2584.5","0.3","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O2 -","- C29 H32 N2 O2 -","- C116 H128 N8 O8 -","4","1","","Kuai, Changsheng; Wang, Lianhui; Cui, Haoyi; Shen, Jinhai; Feng, Yadong; Cui, Xiuling","Efficient and Selective Synthesis of (E)-Enamides via Ru(II)-Catalyzed Hydroamidation of Internal Alkynes","ACS Catalysis","2016","6","1","186","","10.1021/acscatal.5b01791","","","1.54184","CuKα","","0.0473","0.0383","","","0.0978","0.1038","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513736","12.864","0.001","9.812","0.001","13.652","0.0009","90","","92.938","0.002","90","","1720.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0559","0.0514","","","0.1291","0.1359","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513737","11.342","0.0014","6.528","0.0011","21.294","0.002","90","","95.503","0.002","90","","1569.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F5 N2 O2 -","- C18 H11 F5 N2 O2 -","- C72 H44 F20 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.71079","Synchrotron","","0.0494","0.0441","","","0.1116","0.1152","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513738","7.784","0.005","10.507","0.003","11.117","0.003","106.154","0.005","96.466","0.008","97.82","0.02","854.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0558","0.0458","","","0.1127","0.118","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513739","12.243","0.0011","7.246","0.0015","21.867","0.0019","90","","105.022","0.002","90","","1873.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0795","0.0624","","","0.1529","0.165","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513740","10.221","0.0009","6.258","0.001","24.249","0.002","90","","97.531","0.001","90","","1537.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br N2 O2 -","- C18 H15 Br N2 O2 -","- C72 H60 Br4 N8 O8 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0471","0.0437","","","0.1147","0.1172","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513741","12.2626","0.0003","7.2788","0.0002","12.3394","0.0003","90","","104.51","0.002","90","","1066.25","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.57 H21.14 Cl1.13 N2 O2 -","- C25.568 H21.136 Cl1.136 N2 O2 -","- C51.136 H42.272 Cl2.272 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54184","CuKα","","0.0477","0.0383","","","0.0839","0.0882","","","","","","1.057","","","","has coordinates,has disorder","175758","2020-10-21","18:00:00",""
"4513742","5.238","0.002","12.589","0.002","11.597","0.003","90","","91.334","0.015","90","","764.5","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0378","0.0365","","","0.0982","0.1021","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513743","8.6369","0.0003","26.751","0.0008","6.9978","0.0002","90","","106.79","0.001","90","","1547.89","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","1.54178","CuKα","","0.023","0.0223","","","0.0532","0.0536","","","","","","1.14","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513744","9.882","0.002","36.918","0.005","8.62","0.004","90","","99.99","0.011","90","","3097.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0744","0.0559","","","0.1358","0.1474","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513745","12.352","0.0014","7.361","0.0017","22.122","0.001","90","","98.421","0.008","90","","1989.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7108","Synchrotron","","0.0626","0.0518","","","0.1335","0.1414","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513746","11.035","0.0008","6.9","0.0005","11.373","0.002","90","","115.012","0.004","90","","784.75","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C–H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","MoKα","","0.0905","0.0776","","","0.2197","0.2324","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513747","7.91984","0.00013","7.77745","0.00013","16.8551","0.0003","90","","101.445","0.0017","90","","1017.57","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 F5 N4 O2 -","- C22 H13 F5 N4 O2 -","- C44 H26 F10 N8 O4 -","2","1","","Xu, Yali; Liao, Yuting; Lin, Lili; Zhou, Yuhang; Li, Jun; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron Demand 1,3-Dipolar Cycloaddition of Isoquinolinium Methylides with Enecarbamates by a ChiralN,N′-Dioxide/Ag(I) Complex","ACS Catalysis","2016","6","2","589","","10.1021/acscatal.5b02178","","x-ray","1.54184","CuKα","","0.0555","0.0502","","","0.135","0.1418","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513748","9.7227","0.0006","23.8357","0.0014","8.7364","0.0005","90","","90","","90","","2024.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23.73 H18.45 Cl0.7 N O3.12 S -","- C23.725 H18.45 Cl0.7 N O3.125 S -","- C94.9 H73.8 Cl2.8 N4 O12.5 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0546","0.0443","","","0.1036","0.1097","","","","","","1.049","","","","has coordinates,has disorder","175759","2020-10-21","18:00:00",""
"4513749","5.9234","0.0003","17.5385","0.0009","11.7578","0.0005","90","","95.5438","0.0011","90","","1215.78","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C60 H50 N2 O6 S2 -","2","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.034","0.0321","","","0.0872","0.0888","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513750","9.8811","0.0005","10.2565","0.0005","15.4749","0.0007","90","","90","","90","","1568.31","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0424","0.0366","","","0.0844","0.0877","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513751","13.5231","0.0009","13.1489","0.0009","19.3467","0.0014","90","","90","","90","","3440.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ken4-153-9","toste82","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C176 H152 F8 N16 O8 -","8","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0371","0.0369","","","0.0946","0.0948","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513752","7.6084","0.0002","6.4312","0.0002","11.7689","0.0003","90","","103.627","0.001","90","","559.66","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","ken4-150-3","toste80","","- C12 H15 F N2 O -","- C12 H15 F N2 O -","- C24 H30 F2 N4 O2 -","2","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0258","0.0255","","","0.0685","0.0687","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513753","14.407","0.0011","7.3079","0.0005","11.1275","0.0009","90","","109.808","0.009","90","","1102.24","0.16","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F5 N S -","- C13 H4 F5 N S -","- C52 H16 F20 N4 S4 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0337","0.0299","","","0.0792","0.0814","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513754","12.8062","0.0004","5.84755","0.00016","12.6869","0.0004","90","","105.223","0.003","90","","916.72","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0413","0.0352","","","0.0969","0.1039","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513755","5.92801","0.00016","7.5738","0.0002","23.6364","0.0005","90","","90","","90","","1061.22","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 F7 -","- C13 H5 F7 -","- C52 H20 F28 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0275","0.0266","","","0.0713","0.0724","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513756","5.80768","0.00018","20.9642","0.0005","7.68611","0.00019","90","","90","","90","","935.81","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H5 F5 -","- C12 H5 F5 -","- C48 H20 F20 -","4","0.5","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0235","0.0234","","","0.0676","0.0676","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513757","10.038","0.002","15.921","0.003","20.131","0.004","90","","90","","90","","3217.2","1.1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Br N O3 -","- C37 H40 Br N O3 -","- C148 H160 Br4 N4 O12 -","4","1","","He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping","Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides","ACS Catalysis","2016","6","2","652","","10.1021/acscatal.5b02619","","","0.71073","MoKα","","0.0596","0.0415","","","0.089","0.0971","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513758","19.0615","0.0017","9.325","0.0008","20.7194","0.0018","90","","90","","90","","3682.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N O -","- C22 H20 F3 N O -","- C176 H160 F24 N8 O8 -","8","1","","Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min","Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives","ACS Catalysis","2016","6","2","526","","10.1021/acscatal.5b02400","","","0.71073","MoKα","","0.0611","0.0458","","","0.121","0.1314","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:42",""
"4513759","16.5508","0.0009","9.9149","0.0005","20.9543","0.0011","90","","100.391","0.001","90","","3382.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Er N O Si2 -","- C36 H44 Er N O Si2 -","- C144 H176 Er4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0639","0.0354","","","0.0797","0.0929","","","","","","1.024","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513760","16.5847","0.0012","9.9933","0.0007","21.0068","0.0015","90","","100.271","0.001","90","","3425.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Gd N O Si2 -","- C36 H44 Gd N O Si2 -","- C144 H176 Gd4 N4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.052","0.034","","","0.0775","0.0859","","","","","","1.019","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513761","16.5572","0.0009","10.0221","0.0005","21.0296","0.0011","90","","100.37","0.001","90","","3432.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N Nd O Si2 -","- C36 H44 N Nd O Si2 -","- C144 H176 N4 Nd4 O4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.0642","0.0376","","","0.0844","0.0967","","","","","","1.027","","","","has coordinates","175762","2020-10-21","18:00:00",""
"4513762","14.6913","0.0007","11.3369","0.0006","19.4321","0.001","90","","95.729","0.001","90","","3220.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N O Pr Si2 -","- C31 H44 N O Pr Si2 -","- C124 H176 N4 O4 Pr4 Si8 -","4","1","","Lin, Fei; Wang, Xingbao; Pan, Yupeng; Wang, Meiyan; Liu, Bo; Luo, Yi; Cui, Dongmei","Nature of the Entire Range of Rare Earth Metal-Based Cationic Catalysts for Highly Active and Syndioselective Styrene Polymerization","ACS Catalysis","2016","6","1","176","","10.1021/acscatal.5b02334","","","0.71073","MoKα","","0.1179","0.111","","","0.268","0.2836","","","","","","1.36","","","","has coordinates,has disorder","175762","2020-10-21","18:00:00",""
"4513779","17.067","0.004","10.4806","0.0018","18.8193","0.0014","90","","95.005","0.011","90","","3353.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N3 Ni -","- C18 H22 Cl N3 Ni -","- C144 H176 Cl8 N24 Ni8 -","8","2","","Perez Garcia, Pablo M.; Di Franco, Thomas; Epenoy, Alexandre; Scopelliti, Rosario; Hu, Xile","From Dimethylamine to Pyrrolidine: The Development of an Improved Nickel Pincer Complex for Cross-Coupling of Nonactivated Secondary Alkyl Halides","ACS Catalysis","2016","6","1","258","","10.1021/acscatal.5b02324","","","0.71073","MoKα","","0.0983","0.0815","","","0.167","0.174","","","","","","1.299","","","","has coordinates,has disorder","175763","2020-10-21","18:00:00",""
"4513780","8.9143","0.0005","10.0383","0.0006","10.4508","0.0006","106.994","0.003","96.214","0.003","108.761","0.003","825.44","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H13 Br N2 O3 S -","- C15 H12.5 Br N2 O3 S -","- C30 H25 Br2 N4 O6 S2 -","2","2","","Li, Yi; Yu, Yue-Na; Xu, Ming-Hua","Simple Open-Chain Phosphite-Olefin as Ligand for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Enantioselective Access to gem-Diaryl α-Amino Acid Derivatives","ACS Catalysis","2016","6","2","661","","10.1021/acscatal.5b02403","","","0.71073","MoKα","","0.0413","0.0335","","","0.0873","0.0902","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513781","6.9469","0.001","15.845","0.002","20.914","0.003","90","","90","","90","","2302.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei","Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C–H Activation and Ring Opening","ACS Catalysis","2016","6","2","647","","10.1021/acscatal.5b02414","","","0.71073","MoKα","","0.0811","0.0613","","","0.1448","0.1557","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513782","18.2664","0.0012","21.4148","0.0014","10.4443","0.0007","90","","90","","90","","4085.5","0.5","147","2","147","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46 H45 B Cl F4 Fe N2 O P2 -","- C46 H45 B Cl F4 Fe N2 O P2 -","- C184 H180 B4 Cl4 F16 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.0571","0.0386","","","0.0732","0.0796","","","","","","1.005","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513783","11.0847","0.0008","13.0101","0.0009","27.0865","0.0018","90","","90","","90","","3906.2","0.5","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl Fe N2 O P2 -","- C45 H43 Cl Fe N2 O P2 -","- C180 H172 Cl4 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.1147","0.0581","","","0.0816","0.0967","","","","","","0.976","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513784","13.3911","0.0003","13.3911","0.0003","26.1903","0.0007","90","","90","","120","","4067.28","0.17","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","CJ802","","","- C27 H38 B Br O3 -","- C27 H38 B Br O3 -","- C162 H228 B6 Br6 O18 -","6","1","","Jarava-Barrera, Carlos; Parra, Alejandro; López, Aurora; Cruz-Acosta, Fabio; Collado-Sanz, Daniel; Cárdenas, Diego J; Tortosa, Mariola","Copper-Catalyzed Borylative Aromatization of p-Quinone Methides: Enantioselective Synthesis of Dibenzylic Boronates.","ACS catalysis","2016","6","1","442","446","10.1021/acscatal.5b02742","","","0.71073","","","0.0713","0.0388","","","0.0943","0.1257","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513793","15.3957","0.0013","31.578","0.003","17.2918","0.0015","90","","111.265","0.001","90","","7834.3","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H44 O5.5 P -","- C43 H44 O5.5 P -","- C344 H352 O44 P8 -","8","4","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0675","0.0503","","","0.1259","0.1336","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513794","24.1287","0.0008","24.1287","0.0008","33.801","0.002","90","","90","","120","","17042.3","1.3","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C112 H91 F12 N O16 P4 -","- C112 H91 F12 N O16 P4 -","- C672 H546 F72 N6 O96 P24 -","6","1","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0522","0.046","","","0.127","0.1322","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:42",""
"4513795","10.383","0.003","10.981","0.003","14.706","0.005","90","","106.941","0.005","90","","1604","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0535","0.0403","","","0.0973","0.1046","","","","","","0.963","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513796","13.206","0.005","7.219","0.002","17.366","0.006","90","","102.062","0.004","90","","1619","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Zeng, Rong; Chen, Peng-Hao; Dong, Guangbin","Efficient Benzimidazolidinone Synthesis via Rhodium-Catalyzed Double-Decarbonylative C-C Activation/Cycloaddition between Isatins and Isocyanates.","ACS catalysis","2016","6","2","969","973","10.1021/acscatal.5b02532","","","0.71075","MoKα","","0.0481","0.0472","","","0.1264","0.1274","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513797","18.0992","0.0004","9.65395","0.00015","19.7948","0.0004","90","","110.024","0.002","90","","3249.64","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)","","- C24 H34 F6 Mn N4 O8 S2 -","- C24 H34 F6 Mn N4 O8 S2 -","- C96 H136 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification","ACS Catalysis","2016","6","2","979","","10.1021/acscatal.5b02299","","x-ray","0.71073","MoKα","","0.0778","0.0647","","","0.1828","0.1949","","","","","","1.057","","","","has coordinates,has disorder","301843","2025-08-21","01:58:42",""
"4513798","7.3858","0.0004","11.7473","0.0006","16.1486","0.0008","90","","97.962","0.001","90","","1387.6","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F3 N O2 -","- C18 H10 F3 N O2 -","- C72 H40 F12 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.0397","0.0379","","","0.1025","0.1039","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513799","6.1061","0.0005","22.232","0.002","11.7017","0.0012","90","","95.582","0.008","90","","1581","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Yao, Ruwei; Rong, Guangwei; Yan, Bin; Qiu, Lihua; Xu, Xinfang","Dual-Functionalization of Alkynes via Copper-Catalyzed Carbene/Alkyne Metathesis: A Direct Access to the 4-Carboxyl Quinolines","ACS Catalysis","2016","6","2","1024","","10.1021/acscatal.5b02648","","","0.71073","MoKα","","0.129","0.0539","","","0.0722","0.0888","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513801","11.6562","0.0003","21.5144","0.0004","16.1302","0.0003","90","","102.368","0.0007","90","","3951.19","0.15","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O -","- C23 H21 F2 N O -","- C184 H168 F16 N8 O8 -","8","4","","Momiyama, Norie; Okamoto, Hiroshi; Kikuchi, Jun; Korenaga, Toshinobu; Terada, Masahiro","Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls","ACS Catalysis","2016","6","2","1198","","10.1021/acscatal.5b02136","","","0.71075","MoKα","","0.0739","0.038","","","0.0823","0.1048","","","","","","1.097","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513802","11.4113","0.0006","21.0276","0.0011","12.5491","0.0006","90","","93.583","0.001","90","","3005.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Al-Salen","","","- C30 H41 Al Br2 N2 O3 -","- C30 H41 Al Br2 N2 O3 -","- C120 H164 Al4 Br8 N8 O12 -","4","1","","Marlier, Elodie E.; Macaranas, Joahanna A.; Marell, Daniel J.; Dunbar, Christine R.; Johnson, Michelle A.; DePorre, Yvonne; Miranda, Maria O.; Neisen, Benjamin D.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.","ACS catalysis","2016","6","2","1215","1224","10.1021/acscatal.5b02607","","","1.54178","CuKα","","0.0369","0.0343","","","0.0872","0.0889","","","","","","1.104","","","","has coordinates","177378","2020-10-21","18:00:00",""
"4513803","9.894","0.002","19.922","0.004","22.901","0.006","90","","103.78","0.03","90","","4384.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N2 O P2 Ru -","- C42 H40 N2 O P2 Ru -","- C168 H160 N8 O4 P8 Ru4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","","0.0788","","","0.2009","0.2128","","","","","","1.101","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513804","6.8744","0.0014","8.6699","0.0017","15.729","0.003","90","","90","","90","","937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","0.0424","0.0411","","","0.0982","0.0991","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513806","8.6051","0.0005","8.456","0.0004","18.6229","0.001","90","","96.947","0.002","90","","1345.14","0.12","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Fe P S -","- C31 H33 Fe P S -","- C62 H66 Fe2 P2 S2 -","2","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenylphosphine Derivatives by Molybdenum-Catalyzed Asymmetric Ring-Closing Metathesis and Their Application in Asymmetric Catalysis","ACS Catalysis","2016","6","2","1308","","10.1021/acscatal.5b02692","","","0.71075","MoKα","","0.1841","0.097","","","0.1566","0.1916","","","","","","1.082","","","","has coordinates","177381","2020-10-21","18:00:00",""
"4513807","8.219","0.0004","10.1031","0.0006","12.1768","0.0006","86.213","0.004","78.34","0.004","86.602","0.004","987.01","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek","Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality","ACS Catalysis","2016","6","3","1559","","10.1021/acscatal.5b02867","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1028","0.1098","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513808","6.1084","0.0005","14.9045","0.0014","15.5068","0.0014","85.229","0.004","81.551","0.003","83.644","0.004","1384.7","0.2","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0538","0.0438","","","0.125","0.135","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513809","9.51","0.0005","13.531","0.0007","15.5036","0.0009","90","","101.853","0.002","90","","1952.46","0.18","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0517","0.0404","","","0.1076","0.119","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513810","7.4674","0.0004","8.2917","0.0004","10.159","0.0005","84.506","0.002","89.933","0.002","69.136","0.001","584.71","0.05","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0358","0.0327","","","0.0933","0.0968","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513811","10.3225","0.0007","20.9863","0.0017","16.6431","0.0014","90","","95.815","0.004","90","","3586.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.1286","0.0529","","","0.094","0.1179","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513812","8.5582","0.0003","10.1474","0.0004","11.3665","0.0004","114.204","0.0011","92.3803","0.0013","95.0132","0.0012","893.63","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","","0.71073","MoKα","","0.0407","0.0346","","","0.0968","0.101","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513813","15.7908","0.0006","6.1888","0.0002","13.6788","0.0005","90","","106.523","0.001","90","","1281.57","0.08","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0515","0.0447","","","0.123","0.1299","","","","","","1.049","","","","has coordinates,has disorder","301843","2025-08-21","01:58:42",""
"4513814","6.4715","0.0003","12.2935","0.0005","16.0625","0.0007","90","","90","","90","","1277.89","0.1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0331","0.0316","","","0.0959","0.0972","","","","","","1.182","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513815","8.6937","0.0001","8.2505","0.0001","9.8923","0.0002","90","","96.8229","0.0007","90","","704.524","0.019","","","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C34 H34 N6 O2 -","2","1","","Singh, Manish K.; Akula, Hari K.; Satishkumar, Sakilam; Stahl, Lothar; Lakshman, Mahesh K.","Ruthenium-Catalyzed C-H Bond Activation Approach to Azolyl Aminals and Hemiaminal Ethers, Mechanistic Evaluations, and Isomer Interconversion.","ACS catalysis","2016","6","3","1921","1928","10.1021/acscatal.5b02603","","","0.71073","MoKα","","0.0346","0.0324","","","0.0887","0.0913","","","","","","1.0952","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513816","7.9794","0.0013","12.355","0.002","27.87","0.004","83.268","0.003","84.119","0.003","89.549","0.003","2714.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 F2 N O4 -","- C33 H27 F2 N O4 -","- C132 H108 F8 N4 O16 -","4","2","","Wang, Qiang; Li, Yingzi; Qi, Zisong; Xie, Fang; Lan, Yu; Li, Xingwei","Rhodium(III)-Catalyzed Annulation betweenN-Sulfinyl Ketoimines and Activated Olefins: C‒H Activation Assisted by an Oxidizing N‒S Bond","ACS Catalysis","2016","6","3","1971","","10.1021/acscatal.5b02297","","","0.71073","MoKα","","0.1885","0.0839","","","0.2214","0.2889","","","","","","1.011","","","","has coordinates,has disorder","181424","2020-10-21","18:00:00",""
"4513817","10.0715","0.0002","28.3272","0.0005","21.8875","0.0015","90","","92.226","0.007","90","","6239.7","0.5","85","","85","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H53 B Cl N4 O3 P Ru -","- C63 H53 B Cl N4 O3 P Ru -","- C252 H212 B4 Cl4 N16 O12 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0696","0.0667","","","0.1778","0.1797","","","","","","1.038","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513818","14.0112","0.0003","9.7442","0.0002","27.2179","0.0019","90","","94.215","0.007","90","","3706","0.3","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C38 H36 Cl F6 N3 O4 P2 Ru -","- C152 H144 Cl4 F24 N12 O16 P8 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0255","0.025","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates,has disorder","181422","2020-10-21","18:00:00",""
"4513819","12.1467","0.0002","17.3624","0.0004","12.8848","0.0009","90","","90.182","0.006","90","","2717.3","0.2","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C21 H29 Cl F6 N3 O2 P3 Ru -","- C84 H116 Cl4 F24 N12 O8 P12 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0724","0.0623","","","0.1722","0.1817","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513820","11.6136","0.0002","17.269","0.0003","14.4146","0.001","90","","90.128","0.006","90","","2890.9","0.2","85","","85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl2 N3 O2 P Ru -","- C33 H26 Cl2 N3 O2 P Ru -","- C132 H104 Cl8 N12 O8 P4 Ru4 -","4","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0391","0.0376","","","0.1012","0.1024","","","","","","1.093","","","","has coordinates","181422","2020-10-21","18:00:00",""
"4513821","38.209","0.002","13.4891","0.0003","24.3071","0.0004","90","","118.199","0.007","90","","11041.1","1","85","","85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H53 N6 O5 P2 Ru2 -","- C69 H53 N6 O5 P2 Ru2 -","- C552 H424 N48 O40 P16 Ru16 -","8","1","","Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.","Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals","ACS Catalysis","2016","6","3","1981","","10.1021/acscatal.6b00229","","","1.54178","CuKα","","0.0453","0.0433","","","0.1351","0.1369","","","","","","1.162","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513822","14.9292","0.0012","12.2212","0.001","12.2965","0.001","90","","109.506","0.001","90","","2114.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F3 Ir N3 O3 S -","- C19 H23 F3 Ir N3 O3 S -","- C76 H92 F12 Ir4 N12 O12 S4 -","4","1","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0359","0.0241","","","0.0492","0.0527","","","","","","1.014","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513823","11.0313","0.0004","26.4631","0.0009","19.9865","0.0007","90","","98.415","0.001","90","","5771.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F3 Ir N3 O3 S -","- C27 H31 F3 Ir N3 O3 S -","- C216 H248 F24 Ir8 N24 O24 S8 -","8","2","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","0.71073","MoKα","","0.0591","0.047","","","0.1179","0.1243","","","","","","1.028","","","","has coordinates,has disorder","181425","2020-10-21","18:00:00",""
"4513824","20.3758","0.0009","3.4577","0.0002","10.3049","0.0004","90","","106.491","0.004","90","","696.15","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 Na3 O8 -","- C2 H5 Na3 O8 -","- C8 H20 Na12 O32 -","4","0.5","","Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J.","A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid","ACS Catalysis","2016","6","3","2014","","10.1021/acscatal.5b02732","","","1.54178","CuKα","","0.0292","0.0272","","","0.0801","0.0817","","","","","","1.168","","","","has coordinates","181425","2020-10-21","18:00:00",""
"4513825","9.8337","0.001","11.7927","0.001","12.4336","0.0011","112.475","0.008","96.966","0.008","104.18","0.008","1254","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","0.71073","MoKα","","0.0674","0.0463","","","0.0921","0.1037","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513826","11.8802","0.0006","12.1897","0.0005","13.9679","0.0005","86.341","0.003","73.708","0.004","63.295","0.005","1729.87","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","cis-(ITMe)2Pd(SiMe2Ph)2","","- C33 H49 N4 Pd Si2 -","- C33 H49 N4 Pd Si2 -","- C66 H98 N8 Pd2 Si4 -","2","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.044","0.0396","","","0.1101","0.1171","","","","","","0.9017","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513827","12.9381","0.0003","17.8318","0.0003","14.8311","0.0004","90","","113.454","0.003","90","","3138.98","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 B N4 O2 Pd Si -","- C28 H47 B N4 O2 Pd Si -","- C112 H188 B4 N16 O8 Pd4 Si4 -","4","1","","Ansell, Melvyn B.; Spencer, John; Navarro, Oscar","(N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies","ACS Catalysis","2016","6","4","2192","","10.1021/acscatal.6b00127","","x-ray","1.54184","CuKα","","0.0404","0.035","","","0.084","0.088","","","","","","1.044","","","","has coordinates","181411","2020-10-21","18:00:00",""
"4513837","17.0173","0.0003","7.793","0.0001","19.3018","0.0003","90","","103.52","0.001","90","","2488.79","0.07","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 I2 Ir N3 -","- C23 H26 I2 Ir N3 -","- C92 H104 I8 Ir4 N12 -","4","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0665","0.0529","","","0.1439","0.1555","","","","","","1.066","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513838","9.2675","0.0002","10.21","0.0002","12.0027","0.0003","79.971","0.001","78.553","0.001","83.299","0.001","1092.13","0.04","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 I Ir N3 -","- C23 H25 I Ir N3 -","- C46 H50 I2 Ir2 N6 -","2","1","","Semwal, Shrivats; Choudhury, Joyanta","Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function","ACS Catalysis","2016","6","4","2424","","10.1021/acscatal.6b00150","","","0.71073","MoKα","","0.0234","0.0212","","","0.0501","0.0512","","","","","","1.077","","","","has coordinates","181412","2020-10-21","18:00:00",""
"4513839","7.32516","0.00019","13.4286","0.0003","19.6168","0.0006","90","","90","","90","","1929.64","0.09","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming","Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold","ACS Catalysis","2016","6","4","2482","","10.1021/acscatal.6b00294","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1193","0.1215","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513840","5.622","0.005","15.483","0.005","18.549","0.005","90","0.005","94.841","0.005","90","0.005","1608.8","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F6 O2 -","- C17 H10 F6 O2 -","- C68 H40 F24 O8 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0903","0.0714","","","0.1862","0.2059","","","","","","1.036","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513841","4.5824","0.0002","19.9078","0.0008","12.0067","0.0004","90","","94.374","0.003","90","","1092.13","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fu, Ming-Chen; Shang, Rui; Cheng, Wan-Min; Fu, Yao","Nickel-Catalyzed Regio- and Stereoselective Hydrocarboxylation of Alkynes with Formic Acid through Catalytic CO Recycling","ACS Catalysis","2016","6","4","2501","","10.1021/acscatal.6b00276","","","1.54184","CuKα","","0.0473","0.0443","","","0.1216","0.1255","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513842","17.7344","0.0005","14.2966","0.0004","30.6824","0.0009","90","","90","","90","","7779.3","0.4","200","2","200","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C67 H16 B2 Cl2 F40 Fe4 O12 S4 -","- C268 H64 B8 Cl8 F160 Fe16 O48 S16 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.078","0.0537","","","0.1038","0.1147","","","","","","1.036","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513843","16.0418","0.0006","20.9445","0.0008","23.0959","0.001","90","","90","","90","","7759.9","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H5 B F20 Fe2 O6 S2 -","- C36 H5 B F20 Fe2 O6 S2 -","- C288 H40 B8 F160 Fe16 O48 S16 -","8","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0902","0.0644","","","0.1245","0.1346","","","","","","1.148","","","","has coordinates","181413","2020-10-21","18:00:00",""
"4513844","22.9134","0.0012","12.3868","0.0007","17.2161","0.0009","90","","124.699","0.001","90","","4017.3","0.4","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C33 H7 B Cl2 F20 Fe2 O6 S2 -","- C132 H28 B4 Cl8 F80 Fe8 O24 S8 -","4","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0473","0.0427","","","0.1034","0.1063","","","","","","1.042","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513845","6.4147","0.0004","18.5996","0.0011","11.5206","0.0006","90","","104.145","0.0013","90","","1332.85","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H7 F9 Fe2 O15 S5 -","- C11 H7 F9 Fe2 O15 S5 -","- C22 H14 F18 Fe4 O30 S10 -","2","0.5","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0673","0.0577","","","0.1301","0.136","","","","","","1.106","","","","has coordinates,has disorder","181413","2020-10-21","18:00:00",""
"4513846","10.5879","0.0002","4.8182","0.0001","13.6534","0.0002","90","","96.876","0.002","90","","691.51","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C36 H32 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0464","0.0444","","","0.1219","0.125","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513847","10.5044","0.0002","4.7708","0.0001","13.7318","0.0003","90","","97.605","0.002","90","","682.11","0.02","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","","Rodríguez, Elsa; Grayson, Matthew N.; Asensio, Amparo; Barrio, Pablo; Houk, K. N.; Fustero, Santos","Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction ofortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity","ACS Catalysis","2016","6","4","2506","","10.1021/acscatal.6b00209","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0796","0.0807","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513848","8.9984","0.0004","21.6663","0.0011","12.2395","0.0005","90","","90.0826","0.0017","90","","2386.24","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Co N3 O4 -","- C23 H33 Co N3 O4 -","- C92 H132 Co4 N12 O16 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0673","0.0629","","","0.1927","0.1987","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513849","8.9806","0.0004","29.3177","0.0012","8.8612","0.0004","90","","97.9533","0.0014","90","","2310.63","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Co N3 O5 -","- C21 H35 Co N3 O5 -","- C84 H140 Co4 N12 O20 -","4","1","","Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes","ACS Catalysis","2016","6","4","2632","","10.1021/acscatal.6b00304","","","0.71073","MoKα","","0.0304","0.0281","","","0.0772","0.0785","","","","","","1.134","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513850","15.229","0.004","8.446","0.002","17.388","0.005","90","","108.03","0.003","90","","2126.7","1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl Ir N3 O3 -","- C22 H23 Cl Ir N3 O3 -","- C88 H92 Cl4 Ir4 N12 O12 -","4","1","","Ngo, Anh H.; Ibañez, Miguel; Do, Loi H.","Catalytic Hydrogenation of Cytotoxic Aldehydes Using Nicotinamide Adenine Dinucleotide (NADH) in Cell Growth Media","ACS Catalysis","2016","6","4","2637","","10.1021/acscatal.6b00395","","","0.71073","MoKα","","0.0178","0.0165","","","0.0445","0.056","","","","","","1.164","","","","has coordinates","181410","2020-10-21","18:00:00",""
"4513853","11.7189","0.001","12.5863","0.0011","16.7721","0.0014","90","","99.602","0.002","90","","2439.2","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H38 Br Fe N3 O P2 -","- C20 H38 Br Fe N3 O P2 -","- C80 H152 Br4 Fe4 N12 O4 P8 -","4","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0324","0.0334","","","","1.23","1.23","1.17","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513854","13.7848","0.0007","11.7982","0.0005","15.4447","0.0008","90","","113.332","0.0014","90","","2306.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Fe N3 O P2 -","- C20 H39 Fe N3 O P2 -","- C80 H156 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.","ACS catalysis","2016","6","4","2664","2672","10.1021/acscatal.6b00436","","x-ray","0.71073","MoKα","","0.0601","0.0351","","","0.039","0.0406","","","","1.9","1.9","1.68","","","","has coordinates","186950","2020-10-21","18:00:00",""
"4513855","8.33","0.0001","21.758","0.0003","15.532","0.0002","90","","90","","90","","2815.08","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C116 H104 F12 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.0849","0.0466","","","0.1174","0.1374","","","","","","0.841","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513856","8.592","0.0002","11.328","0.0003","27.778","0.0005","90","","90","","90","","2703.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.1071","0.044","","","0.1128","0.1539","","","","","","0.744","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513857","10.512","0.005","10.602","0.005","13.589","0.005","104.085","0.005","99.52","0.005","91.757","0.005","1444.7","1.1","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C58 H52 F6 N6 O12 S2 -","2","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel–Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71069","MoKα","","0.0743","0.0492","","","0.1247","0.1456","","","","","","0.98","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513858","7.23695","0.0001","9.22435","0.00011","23.1301","0.0003","90","","90","","90","","1544.08","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.","Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters","ACS Catalysis","2016","6","4","2673","","10.1021/acscatal.6b00365","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0728","0.0751","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513863","9.0615","0.0004","10.7999","0.0005","17.4441","0.0009","88.376","0.003","79.606","0.002","82.091","0.003","1663.14","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H38 B Li O2 P2 S2 -","- C33 H38 B Li O2 P2 S2 -","- C66 H76 B2 Li2 O4 P4 S4 -","2","1","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0705","0.0497","","","0.1255","0.1399","","","","","","1.022","","","","has coordinates,has disorder","183562","2020-10-21","18:00:00",""
"4513864","15.4208","0.0004","14.8446","0.0004","13.1339","0.0004","90","","92.9702","0.0015","90","","3002.52","0.14","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 B2 Li O P2 S2 -","- C29 H35 B2 Li O P2 S2 -","- C116 H140 B8 Li4 O4 P8 S8 -","4","0.5","","Lafage, Mathieu; Pujol, Anthony; Saffon-Merceron, Nathalie; Mézailles, Nicolas","BH3Activation by Phosphorus-Stabilized Geminal Dianions: Synthesis of Ambiphilic Organoborane, DFT Studies, and Catalytic CO2Reduction into Methanol Derivatives","ACS Catalysis","2016","6","5","3030","","10.1021/acscatal.6b00587","","","0.71073","MoKα","","0.0447","0.0344","","","0.0855","0.0925","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513865","8.4103","0.0003","8.8487","0.0003","20.8277","0.0008","90","","90","","90","","1550","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","LM1NC377","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","x-ray","0.71073","MoKα","","0.0558","0.0417","","","0.0878","0.0943","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513866","9.4194","0.0013","7.0858","0.0009","19.435","0.003","90","","95.373","0.007","90","","1291.5","0.3","","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C72 H64 O4 -","2","0.5","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0637","0.0394","","","0.0877","0.101","","","","","","1.0091","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513867","6.489","0.0012","7.157","0.0013","32.722","0.005","90","","90","","90","","1519.7","0.5","","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F O -","- C20 H19 F O -","- C80 H76 F4 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0654","0.0516","","","0.1214","0.1304","","","","","","1.0323","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513868","14.136","0.004","9.529","0.003","25.085","0.008","90","","94.09","0.017","90","","3370.4","1.8","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19.16 N2 O4.58 Pd -","- C16 H19 N2 O4.5793 Pd -","- C128 H152 N16 O36.6344 Pd8 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","1.54178","CuKα","","0.0226","0.0202","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4513869","11.06","0.003","10.703","0.004","15.879","0.005","90","","102.713","0.011","90","","1833.6","1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O5 Pd -","- C20 H17 N3 O5 Pd -","- C80 H68 N12 O20 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","","0.0237","0.0219","","","0.0544","0.0554","","","","","","1.125","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513870","12.472","0.006","8.829","0.005","19.26","0.008","90","","90.22","0.03","90","","2120.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 Pd -","- C22 H23 N3 O4 Pd -","- C88 H92 N12 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Zhu, Geyunjian Harry; Stahl, Shannon S.","Diazafluorenone-Promoted Oxidation Catalysis: Insights into the Role of Bidentate Ligands in Pd-Catalyzed Aerobic Aza-Wacker Reactions.","ACS catalysis","2016","6","5","3340","3348","10.1021/acscatal.6b00953","","x-ray","0.71073","MoKα","K-L~3~","0.041","0.0301","","","0.0681","0.0722","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513871","9.8601","0.00019","17.3729","0.0003","10.9482","0.0003","90","","111.164","0.002","90","","1748.92","0.07","290.85","0.1","290.85","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 B N O2 -","- C19 H26 B N O2 -","- C76 H104 B4 N4 O8 -","4","2","","Zhan, Miao; Li, Ren-Zhe; Mou, Ze-Dong; Cao, Chao-Guo; Liu, Jie; Chen, Yuan-Wei; Niu, Dawen","Silver-Assisted, Iridium-Catalyzed Allylation of Bis[(pinacolato)boryl]methane Allows the Synthesis of Enantioenriched Homoallylic Organoboronic Esters","ACS Catalysis","2016","6","5","3381","","10.1021/acscatal.6b00719","","x-ray","1.54184","CuKα","","0.0486","0.0477","","","0.127","0.1284","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513872","36.0683","0.0019","36.0683","0.0019","27.0566","0.0012","90","","90","","90","","35199","3","99.99","","99.99","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C51 H32 N4 O9 Zn2 -","- C51 H32 N4 O9 Zn2 -","- C408 H256 N32 O72 Zn16 -","8","0.5","","Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.","Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis","ACS Catalysis","2016","6","5","3248","","10.1021/acscatal.6b00424","","x-ray","1.54178","CuKα","","0.2038","0.1212","","","0.3688","0.4101","","","","","","0.968","","","","has coordinates","183561","2020-10-21","18:00:00",""
"4513873","8.7413","0.0003","14.2966","0.0006","15.2329","0.0006","90","","98.084","0.002","90","","1884.75","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Ir N2 O6 S -","- C15 H19 Ir N2 O6 S -","- C60 H76 Ir4 N8 O24 S4 -","4","1","","Koelewijn, Jacobus M.; Lutz, Martin; Dzik, Wojciech I.; Detz, Remko J.; Reek, Joost N. H.","Reaction Progress Kinetic Analysis as a Tool To Reveal Ligand Effects in Ce(IV)-Driven IrCp*-Catalyzed Water Oxidation","ACS Catalysis","2016","6","6","3418","","10.1021/acscatal.6b00297","","","0.71073","MoKα","","0.0277","0.0213","","","0.0447","0.0472","","","","","","1.033","","","","has coordinates","183554","2020-10-21","18:00:00",""
"4513878","9.0933","0.0002","20.0387","0.0004","23.2417","0.0005","90","","90","","90","","4235.05","0.16","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C240 H160 N16 O8 -","8","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0427","0.035","","","0.0781","0.0832","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513879","21.6794","0.0008","5.8892","0.0002","20.8559","0.0007","90","","98.889","0.002","90","","2630.78","0.16","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F3 N2 O4 -","- C33 H23 F3 N2 O4 -","- C132 H92 F12 N8 O16 -","4","1","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0646","0.0435","","","0.0974","0.1068","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513880","12.5358","0.0005","12.9306","0.0005","14.235","0.0006","66.91","0.002","68.341","0.003","69.341","0.002","1913.41","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C–H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0937","0.0675","","","0.1885","0.2035","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513881","12.857","","15.123","","12.073","","90","","102.04","","90","","2295.79","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br N O3 S -","- C27 H20 Br N O3 S -","- C108 H80 Br4 N4 O12 S4 -","4","1","","Sun, Jiaqiong; Zheng, Guangfan; Xiong, Tao; Zhang, Qiao; Zhao, Jinbo; Li, Yan; Zhang, Qian","Copper-Catalyzed Hydroxyl-Directed Aminoarylation of Alkynes","ACS Catalysis","2016","6","6","3674","","10.1021/acscatal.6b00759","","","0.71073","MoKα","","0.0805","0.049","","","0.1117","0.1268","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513882","10.6203","0.0004","11.0296","0.0004","13.8669","0.0005","102.003","0.003","107.216","0.003","99.873","0.003","1469.68","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Br N3 O2 -","- C35 H30 Br N3 O2 -","- C70 H60 Br2 N6 O4 -","2","1","","Wei, Guo; Zhang, Chenhao; Bureš, Filip; Ye, Xinyi; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Aerobic Oxidative C(sp3)–H Olefination of Amines via Cooperative Photoredox and Asymmetric Catalysis","ACS Catalysis","2016","6","6","3708","","10.1021/acscatal.6b00846","","","1.54184","CuKα","","0.0675","0.0593","","","0.1714","0.1817","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513883","14.1082","0.0016","18.267","0.002","8.1718","0.0009","90","","96.84","0.004","90","","2091","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Yan, Jianming; Yoshikai, Naohiko","Cobalt-Catalyzed Arylative Cyclization of Acetylenic Esters and Ketones with Arylzinc Reagents through 1,4-Cobalt Migration","ACS Catalysis","2016","6","6","3738","","10.1021/acscatal.6b01039","","","0.71073","MoKα","","0.0853","0.0538","","","0.1366","0.1666","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513884","12.787","0.002","12.7131","0.0018","12.427","0.002","90","","114.445","0.003","90","","1839.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C–H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0399","0.0365","","","0.1046","0.1068","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513885","9.67","0.0018","19.62","0.003","9.9545","0.0018","90","","112.567","0.003","90","","1744","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N -","- C22 H18 Br N -","- C88 H72 Br4 N4 -","4","1","","Li, Bin; Xu, Hong; Wang, Huanan; Wang, Baiquan","Rhodium-Catalyzed Annulation of Tertiary AnilineN-Oxides toN-Alkylindoles: Regioselective C–H Activation, Oxygen-Atom Transfer, andN-Dealkylative Cyclization","ACS Catalysis","2016","6","6","3856","","10.1021/acscatal.6b00311","","","0.71073","MoKα","","0.0251","0.0213","","","0.0558","0.0568","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513886","4.8832","0.0003","15.6825","0.0011","19.696","0.0013","90","","90","","90","","1508.34","0.17","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F3 N3 O3 -","- C14 H16 F3 N3 O3 -","- C56 H64 F12 N12 O12 -","4","1","","Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok","“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis","ACS Catalysis","2016","6","7","4189","","10.1021/acscatal.6b00800","","x-ray","1.54178","CuKα","","0.043","0.0423","","","0.108","0.1087","","","","","","1.101","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513887","11.5615","0.0019","11.966","0.003","21.75","0.005","90","","90","","90","","3009","1.1","294","2","294","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Palladium-Catalyzed Regioselective C–H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position","ACS Catalysis","2016","6","7","4248","","10.1021/acscatal.6b00678","","x-ray","0.71073","MoKα","","0.073","0.0406","","","0.0956","0.1134","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513895","9.263","0.004","13.429","0.005","17.935","0.007","90","0","90","0","90","0","2231","1.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Ir N3 -","- C20 H24 Cl2 Ir N3 -","- C80 H96 Cl8 Ir4 N12 -","4","1","","Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo","An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)","ACS Catalysis","2016","6","7","4559","","10.1021/acscatal.6b01325","","","0.71069","MoKα","","0.0879","0.0581","","","0.1644","0.1707","","","","","","1.045","","","","has coordinates,has disorder","184924","2020-10-21","18:00:00",""
"4513899","24.5991","0.0011","14.5605","0.0006","25.6393","0.0011","90","","106.121","0.001","90","","8822.2","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H64 Cl2 Co F51 N7 O5 -","- C69 H60 Cl2 Co F51 N7 O5 -","- C276 H240 Cl8 Co4 F204 N28 O20 -","4","1","","Chen, Ba-Tian; Morlanés, Natalia; Adogla, Enoch; Takanabe, Kazuhiro; Rodionov, Valentin O.","An Efficient and Stable Hydrophobic Molecular Cobalt Catalyst for Water Electro-oxidation at Neutral pH","ACS Catalysis","2016","6","7","4647","","10.1021/acscatal.6b01237","","x-ray","0.71073","MoKα","","0.1033","0.0871","","","0.2466","0.2662","","","","","","1.057","","","","has coordinates,has disorder","184925","2020-10-21","18:00:00",""
"4513900","9.8908","0.0002","10.8195","0.0003","12.6228","0.0003","82.7016","0.0013","87.4478","0.0012","81.7877","0.0013","1325.65","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","SKL-20150804","","","- C29 H20 N O3 S -","- C29 H20 N O3 S -","- C58 H40 N2 O6 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.1182","0.097","","","0.2758","0.3058","","","","","","0.968","","","","has coordinates","186239","2020-10-21","18:00:00",""
"4513901","6.3051","0.0004","8.242","0.0005","21.9792","0.0014","90.797","0.004","96.108","0.003","96.816","0.003","1127.27","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","SKL-20150330","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi","Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids","ACS Catalysis","2016","6","8","4914","","10.1021/acscatal.6b01110","","","0.71073","","","0.115","0.0923","","","0.1901","0.1984","","","","","","1.122","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513903","13.4223","0.0003","15.5169","0.0003","23.9951","0.0007","90","","104.683","0.001","90","","4834.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 Cl2 N2 O2 Ti -","- C51 H66 Cl2 N2 O2 Ti -","- C204 H264 Cl8 N8 O8 Ti4 -","4","1","","Pletcher, Paul D.; Switzer, Jeffrey M.; Steelman, D. Keith; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M.","Quantitative Comparative Kinetics of 1-Hexene Polymerization across Group IV Bis-Phenolate Catalysts","ACS Catalysis","2016","6","8","5138","","10.1021/acscatal.6b00974","","","0.71073","MoKα","","0.1284","0.0927","","","0.1945","0.2098","","","","","","1.054","","","","has coordinates","186240","2020-10-21","18:00:00",""
"4513904","13.683","0.0013","8.7527","0.0008","16.3494","0.0014","90","","102.176","0.003","90","","1914","0.3","109","2","109","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I Ir N2 -","- C20 H24 I Ir N2 -","- C80 H96 I4 Ir4 N8 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.019","0.0187","","","0.0471","0.0473","","","","","","1.137","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513905","10.646","0.003","17.272","0.005","14.564","0.005","90","","101.437","0.01","90","","2624.8","1.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I Ir N2 O4 -","- C26 H30 I Ir N2 O4 -","- C104 H120 I4 Ir4 N8 O16 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.0687","0.052","","","0.1402","0.1548","","","","","","1.25","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513906","10.6334","0.0006","17.2916","0.001","14.4816","0.0008","90","","101.307","0.004","90","","2611","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 I N2 O4 Rh -","- C26 H30 I N2 O4 Rh -","- C104 H120 I4 N8 O16 Rh4 -","4","1","","Thenarukandiyil, Ranjeesh; Gupta, Suraj K.; Choudhury, Joyanta","Unraveling the Competition of Two C‒H and Two M‒C Bonds in Guiding the Mechanism of Rhodium(III)-Catalyzed C‒H Activation‒Annulation","ACS Catalysis","2016","6","8","5132","","10.1021/acscatal.6b01486","","","0.71073","MoKα","","0.1113","0.0487","","","0.0773","0.0937","","","","","","1.026","","","","has coordinates","186243","2020-10-21","18:00:00",""
"4513907","19.697","0.003","5.855","0.002","9.532","0.003","90","","95.8","0.02","90","","1093.7","0.5","80","2","80","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H30 Ca O12 -","- C16 H30 Ca O12 -","- C32 H60 Ca2 O24 -","2","0.5","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","0.71073","MoKα","","0.1457","0.0993","","","0.1847","0.2125","","","","","","1.121","","","","has coordinates,has disorder","186952","2020-10-21","18:00:00",""
"4513908","8.768","0.007","9.508","0.006","10.629","0.01","97.45","0.03","100.88","0.03","117.39","0.03","748.4","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","- C20 H40 Ca Cl2 O12 -","1","1","","Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr","Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters","ACS Catalysis","2016","6","8","5222","","10.1021/acscatal.6b01009","","","1.54178","CuKα","","0.0604","0.0565","","","0.1434","0.1614","","","","","","1.074","","","","has coordinates","186952","2020-10-21","18:00:00",""
"4513910","6.266","0.0004","9.3515","0.0005","9.3563","0.0005","90","","108.635","0.002","90","","519.5","0.05","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 O2 Pd S2 -","- C4 H12 Cl2 O2 Pd S2 -","- C8 H24 Cl4 O4 Pd2 S4 -","2","0.5","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0335","0.0334","","","0.0933","0.0934","","","","","","1.14","","","","has coordinates","186951","2020-10-21","18:00:00",""
"4513911","10.1578","0.0003","10.4643","0.0004","16.6141","0.0005","90","","90.274","0.002","90","","1765.96","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl2 Pd2 -","- C18 H18 Cl2 Pd2 -","- C72 H72 Cl8 Pd8 -","4","1","","Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R.","Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C–H Oxidation","ACS Catalysis","2016","6","8","5295","","10.1021/acscatal.6b01818","","","1.54178","CuKα","","0.0765","0.0711","","","0.1895","0.1959","","","","","","1.116","","","","has coordinates","296176","2024-12-02","18:29:53",""
"4513912","8.9213","0.0001","9.9325","0.0001","20.8095","0.0003","90","","90","","90","","1843.95","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li","Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination","ACS Catalysis","2016","6","8","5307","","10.1021/acscatal.6b01585","","","1.54178","CuKα","","0.0274","0.0274","","","0.098","0.0984","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513918","10.3908","0.0007","11.9666","0.0008","17.1508","0.0013","90","","106.646","0.002","90","","2043.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl4 N8 Pd2 -","- C14 H14 Cl4 N8 Pd2 -","- C56 H56 Cl16 N32 Pd8 -","4","1","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0656","0.0353","","","0.105","0.1295","","","","","","0.882","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513919","13.098","0.004","14.599","0.004","14.668","0.004","90","","113.234","0.012","90","","2577.3","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C80 H72 Cl16 N32 Pd8 -","4","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.0955","0.0634","","","0.1442","0.1614","","","","","","1.164","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513920","7.602","0.001","8.298","0.0011","10.7372","0.0015","99.281","0.004","104.335","0.004","102.182","0.004","624.94","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","- C20 H18 Cl4 N8 Pd2 -","1","0.5","","Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta","Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone","ACS Catalysis","2016","6","8","5535","","10.1021/acscatal.6b01421","","","0.71073","MoKα","","0.1304","0.0748","","","0.165","0.1929","","","","","","1.105","","","","has coordinates","186242","2020-10-21","18:00:00",""
"4513921","14.6259","0.0003","13.2292","0.0003","16.0114","0.0003","90","","101.154","0.001","90","","3039.51","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 Ni O -","- C15 H18 Cl N3 Ni O -","- C120 H144 Cl8 N24 Ni8 O8 -","8","1","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.024","0.0219","","","0.0547","0.0559","","","","","","1.078","","","","has coordinates","186953","2020-10-21","18:00:00",""
"4513922","15.7724","0.0004","14.0286","0.0003","16.1653","0.0004","90","","101.236","0.001","90","","3508.25","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N3 Ni O3.5 -","- C17 H21 N3 Ni O3.5 -","- C136 H168 N24 Ni8 O28 -","8","2","","Soni, Vineeta; Jagtap, Rahul A.; Gonnade, Rajesh G.; Punji, Benudhar","Unified Strategy for Nickel-Catalyzed C-2 Alkylation of Indoles through Chelation Assistance","ACS Catalysis","2016","6","9","5666","","10.1021/acscatal.6b02003","","","0.71073","MoKα","","0.036","0.0283","","","0.0673","0.0723","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513923","26.861","0.002","7.7454","0.0007","21.4543","0.0019","90","","97.763","0.001","90","","4422.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AES2-013","Compound-L4-Rh","","- C22 H33 B F4 P Rh -","- C22 H33 B F4 P Rh -","- C176 H264 B8 F32 P8 Rh8 -","8","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0566","0.0412","","","0.0961","0.1068","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513924","10.927","0.002","14.743","0.003","15.848","0.003","106.91","0.009","90.715","0.009","94.619","0.01","2433","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-295","Compound-L2c-Rh","","- C26 H35 B F4 P Rh -","- C26 H35 B F4 P Rh -","- C104 H140 B4 F16 P4 Rh4 -","4","2","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0289","0.0234","","","0.0527","0.0554","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513925","10.1423","0.0004","10.3515","0.0004","12.0166","0.0005","91.342","0.002","100.981","0.001","115.42","0.001","1110.7","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","AESI-297","Compound-(L5)Rh","","- C22 H35 B F4 P Rh -","- C22 H35 B F4 P Rh -","- C44 H70 B2 F8 P2 Rh2 -","2","1","","Strom, Alexandra E.; Balcells, David; Hartwig, John F.","Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes","ACS Catalysis","2016","6","9","5651","","10.1021/acscatal.6b01320","","","0.71073","MoKα","","0.0214","0.0204","","","0.0512","0.052","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513926","9.48","0.004","5.679","0.002","19.061","0.007","90","","100.77","0.009","90","","1008.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C42 H40 Cl2 N6 O8 -","2","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.1213","0.0855","","","0.2099","0.2354","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513927","7.1807","0.0016","13.199","0.003","19.659","0.004","90","","90","","90","","1863.2","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C84 H80 Cl4 N12 O16 -","4","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.0408","0.0354","","","0.0851","0.0888","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513928","8.6908","0.0004","10.3574","0.0004","13.9701","0.0006","90","","90","","90","","1257.51","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank","NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles","ACS Catalysis","2016","6","9","5735","","10.1021/acscatal.6b01852","","","1.54178","CuKα","","0.037","0.0337","","","0.0797","0.0821","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513930","9.7885","0.0003","32.8507","0.0011","26.2822","0.0009","90","","93.385","0.002","90","","8436.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MGL-8-090","","","- C39 H70 O2 P2 Pd2 -","- C39 H70 O2 P2 Pd2 -","- C312 H560 O16 P16 Pd16 -","8","2","","Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H.","A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides","ACS Catalysis","2016","6","9","5834","","10.1021/acscatal.6b01541","","","0.71073","MoKα","","0.0306","0.0251","","","0.0541","0.0563","","","","","","1.074","","","","has coordinates,has disorder","186250","2020-10-21","18:00:00",""
"4513932","13.8177","0.0016","16.467","0.002","14.0445","0.0017","90","","109.613","0.0017","90","","3010.2","0.6","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)‒H, C(sp3)‒H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.0613","0.0421","","","0.0889","0.0977","","","","","","1.068","","","","has coordinates","186247","2020-10-21","18:00:00",""
"4513933","9.8739","0.001","10.6233","0.0011","13.8412","0.0013","86.937","0.003","77.911","0.003","89.004","0.003","1417.6","0.2","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 Cl3 N3 O7 S -","- C28 H24 Cl3 N3 O7 S -","- C56 H48 Cl6 N6 O14 S2 -","2","2","","Hu, Xu-Hong; Yang, Xiao-Fei; Loh, Teck-Peng","Chelation-Assisted Rhodium-Catalyzed Direct Amidation with Amidobenziodoxolones: C(sp2)–H, C(sp3)–H, and Late-Stage Functionalizations","ACS Catalysis","2016","6","9","5930","","10.1021/acscatal.6b02015","","","0.71073","MoKα","","0.1217","0.071","","","0.1508","0.1851","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513934","17.653","0.004","12.7","0.003","9.4888","0.0019","90","","93.31","0.03","90","","2123.8","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O4 S2 -","- C22 H18 N2 O4 S2 -","- C88 H72 N8 O16 S8 -","4","1","","Pan, Fei; Li, Xin-Ling; Chen, Xiu-Mei; Shu, Chao; Ruan, Peng-Peng; Shen, Cang-Hai; Lu, Xin; Ye, Long-Wu","Catalytic Ynamide Oxidation Strategy for the Preparation of α-Functionalized Amides","ACS Catalysis","2016","6","9","6055","","10.1021/acscatal.6b01599","","","0.71073","MoKα","","0.165","0.0873","","","0.2359","0.3512","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513935","9.2103","0.0004","9.7574","0.0004","14.5275","0.0006","75.23","0.001","88.275","0.001","69.461","0.001","1179.64","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O5 -","- C29 H25 N O5 -","- C58 H50 N2 O10 -","2","1","","Jiang, Liqin; Jin, Weifeng; Hu, Wenhao","Double C–H Functionalization of Indoles via Three-Component Reactions/CuCl2-Catalyzed Aerobic Dehydrogenative Coupling for the Synthesis of Polyfunctional Cyclopenta[b]indoles","ACS Catalysis","2016","6","9","6146","","10.1021/acscatal.6b01946","","","0.71073","MoKα","","0.0774","0.0492","","","0.1238","0.1472","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513938","9.842","0.0019","11.556","0.002","9.8592","0.0019","90","","97.807","0.003","90","","1110.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Cl O2 -","- C25 H31 Cl O2 -","- C50 H62 Cl2 O4 -","2","1","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0338","0.0326","","","0.082","0.0828","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513939","10.9646","0.0006","16.3287","0.0009","11.9006","0.0007","90","","110.493","0.002","90","","1995.8","0.2","102","2","102","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1b)](BF4)2 (8b)","","","- C39 H46 B2 F8 Fe N4 P2 -","- C39 H46 B2 F8 Fe N4 P2 -","- C78 H92 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0743","0.0527","","","0.1166","0.1272","","","","","","1.022","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513940","10.4939","0.001","10.7859","0.001","13.5065","0.0013","101.154","0.003","92.256","0.003","102.353","0.003","1459.9","0.2","103","2","103","2","","","","","","","","8","P 1","P 1","1","[Fe(CNAd)2(1b)](BF4)2, 2 CH2Cl2 (3c)","","","- C59 H74 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","- C59 H70 B2 Cl4 F8 Fe N4 P2 -","1","1","","Bigler, Raphael; Huber, Raffael; Stöckli, Marco; Mezzetti, Antonio","Iron(II)/(NH)2P2Macrocycles: Modular, Highly Enantioselective Transfer Hydrogenation Catalysts","ACS Catalysis","2016","6","10","6455","","10.1021/acscatal.6b01872","","","0.71073","MoKα","","0.0694","0.0528","","","0.1213","0.1304","","","","","","1.018","","","","has coordinates,has disorder","187879","2020-10-21","18:00:00",""
"4513941","17.3254","0.0013","30.92","0.003","23.005","0.002","90","","90.359","0.003","90","","12323.6","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H33.5 Co F10 N6.5 O1.71 -","- C65.5 H33.5 Co F10 N6.5 O1.706 -","- C524 H268 Co8 F80 N52 O13.648 -","8","2","","Lei, Haitao; Liu, Chengyu; Wang, Zhaojun; Zhang, Zongyao; Zhang, Meining; Chang, Xingmao; Zhang, Wei; Cao, Rui","Noncovalent Immobilization of a Pyrene-Modified Cobalt Corrole on Carbon Supports for Enhanced Electrocatalytic Oxygen Reduction and Oxygen Evolution in Aqueous Solutions","ACS Catalysis","2016","6","10","6429","","10.1021/acscatal.6b01579","","","0.71073","MoKα","","0.1926","0.1315","","","0.3704","0.4059","","","","","","1.459","","","","has coordinates,has disorder","187884","2020-10-21","18:00:00",""
"4513942","8.4122","0.0004","11.7102","0.0005","14.7141","0.0006","90","","103.893","0.004","90","","1407.06","0.11","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Au F6 N4 Sb -","- C22 H32 Au F6 N4 Sb -","- C44 H64 Au2 F12 N8 Sb2 -","2","0.5","","Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo","Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena","ACS Catalysis","2016","6","10","6537","","10.1021/acscatal.6b01825","","x-ray","0.71073","MoKα","","0.0534","0.0319","","","0.0739","0.0877","","","","","","1.031","","","","has coordinates","187883","2020-10-21","18:00:00",""
"4513943","10.6797","0.0004","38.6444","0.0013","25.5186","0.001","90","","94.5702","0.0018","90","","10498.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 B2 F20 N O Zr -","- C55 H51 B2 F20 N O Zr -","- C440 H408 B16 F160 N8 O8 Zr8 -","8","2","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.1218","0.0492","","","0.0867","0.1109","","","","","","0.994","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513944","10.8416","0.0002","16.5385","0.0003","18.9008","0.0003","68.2519","0.0009","74.0118","0.001","72.1388","0.001","2945.45","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C62 H61.5 B2 Cl0.5 F20 N O Zr -","- C124 H123 B4 Cl F40 N2 O2 Zr2 -","2","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine–Boranes using Cationic Zirconium(IV)–Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0439","0.0362","","","0.0877","0.0925","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513945","17.1305","0.0006","10.7085","0.0004","29.9187","0.001","90","","90","","90","","5488.3","0.3","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H51 B F20 N2 O Zr -","- C60 H51 B F20 N2 O Zr -","- C240 H204 B4 F80 N8 O4 Zr4 -","4","1","","Metters, Owen J.; Flynn, Stephanie R.; Dowds, Christiana K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Catalytic Dehydrocoupling of Amine‒Boranes using Cationic Zirconium(IV)‒Phosphine Frustrated Lewis Pairs","ACS Catalysis","2016","6","10","6601","","10.1021/acscatal.6b02211","","","0.71073","MoKα","","0.0517","0.0371","","","0.0744","0.08","","","","","","1.018","","","","has coordinates","187881","2020-10-21","18:00:00",""
"4513946","9.419","0.0008","8.8409","0.0005","11.6624","0.0011","90","","112.966","0.01","90","","894.18","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Zhang, Heyi; Lu, Zhan","Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes","ACS Catalysis","2016","6","10","6596","","10.1021/acscatal.6b02278","","","1.54184","CuKα","","0.0596","0.0479","","","0.1239","0.1407","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513948","12.3061","0.001","12.6455","0.001","13.1675","0.001","78.8847","0.0012","71.0045","0.0012","87.4156","0.0012","1900.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Zhiyao042215","","","- C25 H38 B3 Cl2 I N12 Ni2 -","- C25 H38 B3 Cl2 I N12 Ni2 -","- C50 H76 B6 Cl4 I2 N24 Ni4 -","2","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0328","0.0244","","","0.0555","0.0584","","","","","","1.032","","","","has coordinates,has disorder","187880","2020-10-21","18:00:00",""
"4513949","22.9867","0.0014","8.2956","0.0005","32.6131","0.0019","90","","109.922","0.001","90","","5846.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H68 Cl2 N8 Ni3 O4 -","- C59 H68 Cl2 N8 Ni3 O4 -","- C236 H272 Cl8 N32 Ni12 O16 -","4","1","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0783","0.0486","","","0.1171","0.1316","","","","","","1.03","","","","has coordinates","187880","2020-10-21","18:00:00",""
"4513950","8.2687","0.0007","19.3361","0.0015","8.7596","0.0007","90","","115.029","0.001","90","","1269.01","0.18","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B I N4 -","- C24 H30 B I N4 -","- C48 H60 B2 I2 N8 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0395","0.0351","","","0.0777","0.0789","","","","","","1.288","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513951","9.586","0.004","12.006","0.005","18.204","0.009","90","","96.216","0.011","90","","2082.8","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H55 Cl N4 Ni O0 -","- C40 H55 Cl N4 Ni -","- C80 H110 Cl2 N8 Ni2 -","2","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0865","0.0676","","","0.1662","0.1771","","","","","","1.002","","","","has coordinates,has disorder","187882","2020-10-21","18:00:00",""
"4513952","12.7494","0.0012","28.039","0.003","11.5771","0.0011","90","","90","","90","","4138.6","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H57 Cl3 N4 Ni O -","- C42 H57 Cl3 N4 Ni O -","- C168 H228 Cl12 N16 Ni4 O4 -","4","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0653","0.0522","","","0.1218","0.1277","","","","","","1.045","","","","has coordinates","187882","2020-10-21","18:00:00",""
"4513953","45.941","0.003","8.7162","0.0006","14.6019","0.001","90","","102.274","0.001","90","","5713.4","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H55 Cl P2 Pd -","- C24 H55 Cl P2 Pd -","- C192 H440 Cl8 P16 Pd8 -","8","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0425","0.0296","","","0.0727","0.0819","","","","","","1.02","","","","has coordinates,has disorder","187885","2020-10-21","18:00:00",""
"4513954","4.5967","0.0006","12.2704","0.0016","15.393","0.002","90","","94.473","0.002","90","","865.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O2 -","- C10 H8 N O2 -","- C40 H32 N4 O8 -","4","1","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0554","0.0493","","","0.1348","0.1412","","","","","","0.984","","","","has coordinates","187885","2020-10-21","18:00:00",""
"4513955","4.6759","0.0016","11.637","0.004","12.148","0.004","101.704","0.006","94.481","0.006","97.981","0.006","637.1","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","2","","Hu, Yue; Shen, Zhiqiang; Huang, Hanmin","Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride","ACS Catalysis","2016","6","10","6785","","10.1021/acscatal.6b01939","","","0.71073","MoKα","","0.0825","0.0559","","","0.1317","0.152","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513956","14.349","0.01","9.776","0.007","16.959","0.013","90","","108.332","0.009","90","","2258","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br O2 P -","- C25 H24 Br O2 P -","- C100 H96 Br4 O8 P4 -","4","1","","Toda, Yasunori; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Carbon Dioxide Fixation at Atmospheric Pressure for the Synthesis of Cyclic Carbonates","ACS Catalysis","2016","6","10","6906","","10.1021/acscatal.6b02265","","","0.71073","MoKα","","0.0666","0.0411","","","0.103","0.1097","","","","","","0.907","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513960","9.45565","0.00011","18.07717","0.0002","13.18336","0.00016","90","","103.903","0.0012","90","","2187.43","0.05","180","0.14","180","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C88 H104 N8 O24 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.5418","CuKα","","0.0404","0.0361","","","0.093","0.0974","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513961","11.81121","0.0001","8.41417","0.00006","16.5698","0.00018","90","","90.8215","0.0008","90","","1646.56","0.03","180","3","180","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0317","0.031","","","0.0814","0.082","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513962","10.28582","0.00014","9.52978","0.00012","16.564","0.0002","90","","90.4024","0.0012","90","","1623.59","0.04","180.2","0.7","180.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.089","0.0914","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513963","5.45149","0.00006","15.7094","0.00012","38.6948","0.0003","90","","90","","90","","3313.81","0.05","180","0.14","180","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0348","0.0327","","","0.0789","0.0798","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513970","34.388","0.002","34.853","0.002","13.3846","0.0007","90","","90","","90","","16041.8","1.6","123","2","123","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 N4 O16 V2 -","- C84 H84 Cd2 N4 O16 V2 -","- C336 H336 Cd8 N16 O64 V8 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1238","0.0984","","","0.2644","0.2805","","","","","","1.074","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513971","33.9506","0.0014","35.3214","0.0012","13.4377","0.0005","90","","90","","90","","16114.3","1","123","2","123","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 Cu N4 O16 V -","- C84 H84 Cd2 Cu N4 O16 V -","- C336 H336 Cd8 Cu4 N16 O64 V4 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1264","0.0978","","","0.2471","0.2666","","","","","","1.076","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513972","6.0503","0.0007","14.698","0.002","18.444","0.003","90","","90","","90","","1640.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)–H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","1.54178","CuKα","","0.0557","0.0446","","","0.1024","0.1111","","","","","","0.977","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513973","5.7336","0.0001","16.8181","0.0005","17.4381","0.0006","90","","90","","90","","1681.53","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)–H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","0.71073","MoKα","","0.0836","0.0638","","","0.1159","0.1269","","","","","","1.152","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513974","11.0213","0.0018","23.615","0.004","16.094","0.003","90","","105.537","0.002","90","","4035.7","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl O P2 Pd -","- C45 H37 Cl O P2 Pd -","- C180 H148 Cl4 O4 P8 Pd4 -","4","1","","Chatterjee, Anamitra; Hopen Eliasson, Sondre H.; Törnroos, Karl W.; Jensen, Vidar R.","Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins","ACS Catalysis","2016","6","11","7784","","10.1021/acscatal.6b02460","","","0.71073","MoKα","","0.0569","0.0421","","","0.0981","0.1045","","","","","","1.068","","","","has coordinates","188906","2020-10-21","18:00:00",""
"4513975","9.6991","0.0008","9.587","0.0007","13.7942","0.0013","90","","105.113","0.009","90","","1238.29","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 S -","- C11 H13 Br O2 S -","- C44 H52 Br4 O8 S4 -","4","2","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.1015","0.0584","","","0.0994","0.1177","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513976","5.4678","0.0005","8.6283","0.0004","18.6625","0.001","90","","91.41","0.007","90","","880.19","0.1","269.85","0.1","269.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","0.71073","MoKα","","0.0749","0.0464","","","0.0963","0.11","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513977","8.8973","0.0003","6.9477","0.0003","12.2822","0.0005","90","","100.56","0.004","90","","746.37","0.05","293.28","0.1","293.28","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C32 H30 Br2 O4 -","2","1","","Zhou, Pengfei; Cai, Yunfei; Zhong, Xia; Luo, Weiwei; Kang, Tengfei; Li, Jun; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic Asymmetric Intra- and Intermolecular Haloetherification of Enones: An Efficient Approach to (−)-Centrolobine","ACS Catalysis","2016","6","11","7778","","10.1021/acscatal.6b02048","","x-ray","1.54184","CuKα","","0.07","0.0692","","","0.1778","0.1792","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513979","10.7287","0.0003","11.7933","0.0003","20.5611","0.0006","100.143","0.001","97.14","0.001","93.382","0.001","2532.29","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H71 Cu Fe N2 O3 Si2 -","- C51 H71 Cu Fe N2 O3 Si2 -","- C102 H142 Cu2 Fe2 N4 O6 Si4 -","2","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.1133","0.0633","","","0.135","0.1579","","","","","","1.023","","","","has coordinates","188907","2020-10-21","18:00:00",""
"4513980","11.9549","0.0002","10.1772","0.0002","40.3744","0.0006","90","","95.356","0.001","90","","4890.8","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 Cu D6 Fe N2 O3 -","- C52 H62 Cu D6 Fe N2 O3 -","- C208 H248 Cu4 D24 Fe4 N8 O12 -","4","1","","Chakraborty, Arundhoti; Kinney, R. Garrison; Krause, Jeanette A.; Guan, Hairong","Cooperative Iron‒Oxygen‒Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions","ACS Catalysis","2016","6","11","7855","","10.1021/acscatal.6b01994","","","1.54178","CuKα","","0.0796","0.0649","","","0.1635","0.1764","","","","","","1.051","","","","has coordinates,has disorder","188907","2020-10-21","18:00:00",""
"4513981","20.4853","0.0002","14.08083","0.00013","22.6949","0.0003","90","","95.5664","0.001","90","","6515.47","0.12","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H51 Fe N2 P -","- C34 H51 Fe N2 P -","- C272 H408 Fe8 N16 P8 -","8","1","","Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.","Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight","ACS Catalysis","2016","6","11","7892","","10.1021/acscatal.6b02290","","x-ray","1.54184","CuKα","","0.0352","0.0309","","","0.0768","0.0794","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513983","33.03","0.003","14.5141","0.0015","23.743","0.002","90","","106.097","0.002","90","","10936.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.38 H57 Cl1.75 N4 O9 -","- C60.375 H57 Cl1.75 N4 O9 -","- C483 H456 Cl14 N32 O72 -","8","2","","Ma, Chao; Huang, Yuan; Zhao, Yu","Stereoselective 1,6-Conjugate Addition/Annulation ofpara-Quinone Methides with Vinyl Epoxides/Cyclopropanes","ACS Catalysis","2016","6","10","6408","","10.1021/acscatal.6b01845","","","0.71073","MoKα","","0.0947","0.0736","","","0.1833","0.1982","","","","","","1.058","","","","has coordinates,has disorder","187792","2020-10-21","18:00:00",""
"4513984","10.405","0.0004","14.2652","0.0006","14.6935","0.0006","90","","90","","90","","2180.95","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N3 O2 -","- C24 H24 Cl N3 O2 -","- C96 H96 Cl4 N12 O8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca","Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity","ACS Catalysis","2016","6","10","6473","","10.1021/acscatal.6b01962","","","0.71073","MoKα","","0.0639","0.0466","","","0.1365","0.1719","","","","","","0.964","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513985","8.3462","0.0002","8.4556","0.0002","8.796","0.0002","113.763","0.002","101.75","0.002","91.594","0.002","552.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Zhiyao100315","","","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","- C16 H24 I2 N8 Ni -","1","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","1.54184","CuKα","","0.0468","0.0428","","","0.1156","0.1189","","","","","","1.154","","","","has coordinates","187794","2020-10-21","18:00:00",""
"4513986","6.8569","0.0006","16.0355","0.0013","8.668","0.0007","90","","98.926","0.001","90","","941.54","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 N8 Ni -","- C16 H24 B2 N8 Ni -","- C32 H48 B4 N16 Ni2 -","2","0.5","","Lu, Zhiyao; Williams, Travis J.","Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions","ACS Catalysis","2016","6","10","6670","","10.1021/acscatal.6b02101","","","0.71073","MoKα","","0.0481","0.0313","","","0.0682","0.0738","","","","","","1.037","","","","has coordinates","187795","2020-10-21","18:00:00",""
"4516694","5.1839","0.0002","17.316","0.0005","23.0197","0.0007","90","","90","","90","","2066.35","0.12","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark","Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C–H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)","ACS Catalysis","2016","6","8","4946","","10.1021/acscatal.6b00858","","","1.54178","CuKα","","0.0311","0.0296","","","0.0752","0.0762","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516695","12.0346","0.0004","14.3451","0.0005","16.9307","0.0005","101.182","0.002","90.368","0.002","96","0.002","2850.61","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H81 O5 Si Y -","- C62 H81 O5 Si Y -","- C124 H162 O10 Si2 Y2 -","2","1","","Xu, Tie-Qi; Yang, Guan-Wen; Lu, Xiao-Bing","Highly Isotactic and High-Molecular-Weight Poly(2-vinylpyridine) by Coordination Polymerization with Yttrium Bis(phenolate) Ether Catalysts","ACS Catalysis","2016","6","8","4907","","10.1021/acscatal.6b00881","","","0.71073","MoKα","","0.101","0.0668","","","0.1697","0.1914","","","","","","1.02","","","","has coordinates","239464","2020-10-21","18:00:00",""
"4516696","12.1686","0.0004","15.7163","0.0005","17.6104","0.0006","90","","100.762","0.0011","90","","3308.67","0.19","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H87 Co N6 O2 Si2 -","- C76 H87 Co N6 O2 Si2 -","- C152 H174 Co2 N12 O4 Si4 -","2","1","","Ibrahim, Abdulrahman D.; Entsminger, Steven W.; Zhu, Lingyang; Fout, Alison R.","A Highly Chemoselective Cobalt Catalyst for the Hydrosilylation of Alkenes using Tertiary Silanes and Hydrosiloxanes","ACS Catalysis","2016","6","6","3589","","10.1021/acscatal.6b01091","","x-ray","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.0737","","","","","","1.041","","","","has coordinates,has disorder","239465","2020-10-21","18:00:00",""
"4516697","19.0698","0.0004","19.0698","0.0004","9.8294","0.0007","90","","90","","90","","3574.5","0.3","85","","85","","","","","","","","","6","P -4","P -4","81","","","","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","- C168 H156 Cl4 N20 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0381","0.0374","","","0.0931","0.0936","","","","","","1.139","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516698","12.9692","0.0002","16.8857","0.0003","17.268","0.0012","90","","90.769","0.006","90","","3781.2","0.3","85","","85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","- C184 H164 N24 P4 Ru4 -","1","0.25","","Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.","The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study","ACS Catalysis","2016","6","8","4799","","10.1021/acscatal.6b01465","","","1.54187","CuKα","","0.0832","0.0788","","","0.215","0.2205","","","","","","1.097","","","","has coordinates","239466","2020-10-21","18:00:00",""
"4516699","9.5413","0.0005","12.5331","0.0012","16.6646","0.0014","90","","90","","90","","1992.8","0.3","295.14","0.1","295.14","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N O2 -","- C22 H21 Cl N2 O2 -","- C88 H84 Cl4 N8 O8 -","4","1","","Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui","Enantioselective Dearomative Arylation of Isoquinolines","ACS Catalysis","2016","6","8","5290","","10.1021/acscatal.6b01693","","x-ray","0.71073","MoKα","","0.1522","0.0734","","","0.1357","0.1892","","","","","","1.035","","","","has coordinates","239467","2020-10-21","18:00:00",""
"4516700","11.23","0.003","12.753","0.003","20.255","0.004","85.686","0.005","80.147","0.006","74.114","0.006","2747.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O -","- C38 H27 N O -","- C152 H108 N4 O4 -","4","2","","Li, Xingwei; Yang, Xifa; Qi, Zisong","Synthesis of Cyclopentadienols by Rhodium-Catalyzed C–H Activation of 8-Formylquinolines and [2+2+1] Carbocyclization with Alkynes","ACS Catalysis","2016","6","10","6372","","10.1021/acscatal.6b01936","","","0.71073","MoKα","","0.1525","0.0746","","","0.1715","0.2169","","","","","","0.966","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516701","9.4338","0.0003","11.4458","0.0003","23.1231","0.0007","90","","97.4269","0.0008","90","","2475.83","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 O5 P -","- C26 H35 O5 P -","- C104 H140 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.038","0.034","","","0.092","0.0959","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516702","4.5729","0.0002","14.1363","0.0005","11.7191","0.0004","90","","100.631","0.0008","90","","744.57","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 O4 P -","- C7 H5 O4 P -","- C28 H20 O16 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0491","0.0474","","","0.1305","0.1317","","","","","","1.12","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516703","10.8599","0.0003","15.1287","0.0004","15.5406","0.0004","102.742","0.0006","101.78","0.0007","100.56","0.0006","2367.22","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 O12 P2 Rh -","- C48 H53 O12 P2 Rh -","- C96 H106 O24 P4 Rh2 -","2","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.0318","0.0279","","","0.0687","0.0718","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516704","7.9973","0.0003","11.7658","0.0005","18.4161","0.0007","90","","93.7246","0.0008","90","","1729.2","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin","Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins","ACS Catalysis","2016","6","11","7554","","10.1021/acscatal.6b02185","","","0.71073","MoKα","","0.046","0.0349","","","0.0845","0.0915","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516705","8.6854","0.0006","11.1584","0.0006","12.3533","0.0007","110.734","0.003","96.486","0.004","95.657","0.004","1100.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0605","0.0399","","","0.0997","0.1075","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516706","16.7984","0.0008","13.6152","0.0007","16.9579","0.0009","90","","103.928","0.003","90","","3764.5","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C39 H32 B Cl2 F4 Fe N O3 P2 -","- C156 H128 B4 Cl8 F16 Fe4 N4 O12 P8 -","4","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0713","0.0427","","","0.0912","0.0988","","","","","","1.046","","","","has coordinates,has disorder","239475","2020-10-21","18:00:00",""
"4516707","12.2695","0.0007","12.9467","0.0007","14.1404","0.0008","78.636","0.003","69.027","0.003","83.561","0.003","2054.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C40 H34 B Cl3 F4 Fe N2 O2 P2 -","- C80 H68 B2 Cl6 F8 Fe2 N4 O4 P4 -","2","1","","Teske, Johannes; Plietker, Bernd","A Redox-Neutral Fe-Catalyzed Cycloisomerization of Enyne Acetates","ACS Catalysis","2016","6","10","7148","","10.1021/acscatal.6b02260","","","0.71073","MoKα","","0.0846","0.0456","","","0.0947","0.1038","","","","","","1.048","","","","has coordinates,has disorder","239476","2020-10-21","18:00:00",""
"4516708","6.9941","0.00007","17.4234","0.0002","17.1188","0.0002","90","","98.8919","0.0009","90","","2061.04","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C72 H84 F12 N16 Ni4 O12 S4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0323","0.0268","","","0.0655","0.0686","","","","","","1.066","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516709","13.4405","0.0003","10.5724","0.0003","11.268","0.0003","90","","93.709","0.002","90","","1597.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N3 Ni O -","- C15 H16 I N3 Ni O -","- C60 H64 I4 N12 Ni4 O4 -","4","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0279","0.0224","","","0.047","0.0499","","","","","","1.031","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516710","14.416","0.0002","11.0236","0.0002","25.901","0.0004","90","","98.801","0.002","90","","4067.62","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N4 Ni O3 S -","- C18 H21 F3 N4 Ni O3 S -","- C144 H168 F24 N32 Ni8 O24 S8 -","8","1","","Wei, Yingfei; Liu, Shi-Xia; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis of Triazolylidene Nickel Complexes and Their Catalytic Application in Selective Aldehyde Hydrosilylation","ACS Catalysis","2016","6","12","8192","","10.1021/acscatal.6b02269","","","0.71073","MoKα","","0.0368","0.0299","","","0.0707","0.0755","","","","","","1.035","","","","has coordinates","239477","2020-10-21","18:00:00",""
"4516711","24.0256","0.0005","13.1262","0.0003","22.3213","0.0006","90","","90","","90","","7039.4","0.3","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Fe N4 O3 -","- C40 H46 Fe N4 O3 -","- C320 H368 Fe8 N32 O24 -","8","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","0.71073","MoKα","","0.0631","0.046","","","0.103","0.1099","","","","","","1.08","","","","has coordinates","239478","2020-10-21","18:00:00",""
"4516712","22.7811","0.0006","22.9453","0.0006","13.3383","0.0003","90","","90","","90","","6972.2","0.3","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C150 H162 F12 Fe4 N12 O6 P2 -","- C150 H162 F12 Fe4 N12 O6 P2 -","- C300 H324 F24 Fe8 N24 O12 P4 -","2","0.5","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.077","","","","","","1.083","","","","has coordinates","239479","2020-10-21","18:00:00",""
"4516713","8.0949","0.0002","23.7481","0.0005","17.1961","0.0005","90","","97.427","0.003","90","","3278.02","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Fe N6 O6 -","- C36 H36 Fe N6 O6 -","- C144 H144 Fe4 N24 O24 -","4","1","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0635","0.0462","","","0.0933","0.1","","","","","","1.034","","","","has coordinates","239480","2020-10-21","18:00:00",""
"4516714","15.49431","0.00014","16.23501","0.00013","15.84297","0.00016","90","","107.287","0.001","90","","3805.28","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Fe N4 O5 -","- C42 H50 Fe N4 O5 -","- C168 H200 Fe4 N16 O20 -","4","2","","MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.","Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration","ACS Catalysis","2016","6","10","7217","","10.1021/acscatal.6b02281","","x-ray","1.54184","CuKα","","0.0367","0.0323","","","0.0783","0.0803","","","","","","1.026","","","","has coordinates","239481","2020-10-21","18:00:00",""
"4516715","10.2029","0.001","19.4064","0.0018","7.7687","0.0007","90","","91.548","0.008","90","","1537.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Prieto, Alexis; Bouyssi, Didier; Monteiro, Nuno","Copper-Catalyzed Double C‒H Alkylation of Aldehyde-Derived N,N-Dialkylhydrazones with Polyhalomethanes: Flexible Access to 4-Functionalized Pyrazoles","ACS Catalysis","2016","6","10","7197","","10.1021/acscatal.6b02439","","","0.71069","MoKα","","0.0975","0.065","","0.103","0.0779","0.0724","","","","","","1.044","","","","has coordinates","239482","2020-10-21","18:00:00",""
"4516716","9.0058","0.0001","9.3091","0.0001","17.9195","0.0012","79.797","0.007","80.388","0.007","89.868","0.006","1457.21","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl3 N4 Ni O2 -","- C33 H22 Cl3 N4 Ni O2 -","- C66 H44 Cl6 N8 Ni2 O4 -","2","1","","He, Zhiqi; Huang, Yong","Diverting C‒H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54187","CuKα","","0.0916","0.0676","","","0.1791","0.2033","","","","","","1.096","","","","has coordinates","239483","2020-10-21","18:00:00",""
"4516717","29.3161","0.0007","8.847","0.0003","16.2475","0.0011","90","","122.222","0.009","90","","3564.9","0.5","566","2","566.3","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H29 F4 N2 O2 -","- C45 H29 F4 N2 O2 -","- C180 H116 F16 N8 O8 -","4","1","","He, Zhiqi; Huang, Yong","Diverting C–H Annulation Pathways: Nickel-Catalyzed Dehydrogenative Homologation of Aromatic Amides","ACS Catalysis","2016","6","11","7814","","10.1021/acscatal.6b02477","","","1.54178","CuKα","","0.0537","0.0472","","","0.1342","0.1435","","","","","","1.08","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516718","5.6343","0.0001","17.0439","0.0004","18.3976","0.0004","90","","90","","90","","1766.73","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C76 H88 O20 S4 -","4","1","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0244","0.0236","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516719","13.0843","0.0009","30.4","0.002","6.6223","0.0005","90","","92.47","0.002","90","","2631.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Cl2 N2 Ni O5 -","- C22 H40 Cl2 N2 Ni O5 -","- C88 H160 Cl8 N8 Ni4 O20 -","4","0.5","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0617","0.0571","","","0.1568","0.1639","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516720","13.278","0.002","17.113","0.003","20.133","0.003","90","","90","","90","","4574.7","1.3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H23 Cl Cu N2 O3 -","- C26 H23 Cl Cu N2 O3 -","- C208 H184 Cl8 Cu8 N16 O24 -","8","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0307","0.0271","","","0.0749","0.0767","","","","","","1.029","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516721","12.615","0.003","13.308","0.003","13.396","0.003","90","","116.537","0.003","90","","2012","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cu F3 N2 O2 -","- C22 H14 Br Cu F3 N2 O2 -","- C88 H56 Br4 Cu4 F12 N8 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0297","0.0244","","","0.0625","0.065","","","","","","1.038","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516722","15.5811","0.0004","8.8795","0.0003","17.1799","0.0005","90","","96.394","0.001","90","","2362.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl Cu N3 O2 -","- C29 H22 Cl Cu N3 O2 -","- C116 H88 Cl4 Cu4 N12 O8 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0398","0.0306","","","0.0733","0.0778","","","","","","1.03","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516723","7.3869","0.001","17.69","0.003","14.677","0.002","90","","90.094","0.002","90","","1917.9","0.5","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.03","0.0285","","","0.0723","0.0738","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516724","9.019","0.005","14.953","0.009","20.897","0.013","86.86","0.03","85.15","0.02","89.96","0.04","2804","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cu N2 O4 -","- C31 H38 Cu N2 O4 -","- C124 H152 Cu4 N8 O16 -","4","2","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0763","0.0481","","","0.1029","0.1156","","","","","","1.042","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516725","9.5117","0.0004","16.2069","0.0007","19.2829","0.0008","95.824","0.001","98.182","0.001","102.531","0.001","2845.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","- C138 H106 B6 O27 -","1","0.5","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0628","0.0426","","","0.1085","0.1204","","","","","","1.022","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516805","13.2424","0.0009","23.4593","0.0018","5.5565","0.0004","90","","90","","90","","1726.2","0.2","90","0.5","90","0.5","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C7 H11 N O2 S -","- C7 H11 N O2 S -","- C56 H88 N8 O16 S8 -","8","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.0702","0.0449","","","0.0833","0.0911","","","","","","1.017","","","","has coordinates","239554","2020-10-21","18:00:00",""
"4516806","13.6224","0.0007","9.1977","0.0004","10.4122","0.0005","90","","93.725","0.002","90","","1301.84","0.11","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.051","0.0412","","","0.1095","0.1153","","","","","","1.119","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516807","7.9376","0.0006","18.7907","0.001","11.1825","0.0009","90","","108.097","0.003","90","","1585.4","0.2","200","0.5","200","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C60 H72 N8 O16 S4 -","4","2","","Cao, Jinbao; Siefker, David; Chan, Brandon A.; Yu, Tianyi; Lu, Lu; Saputra, Mirza A.; Fronczek, Frank R.; Xie, Weiwei; Zhang, Donghui","Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides","ACS Macro Letters","2017","6","8","836","","10.1021/acsmacrolett.7b00411","","","0.71073","MoKα","","0.1511","0.0648","","","0.1143","0.1452","","","","","","1.004","","","","has coordinates","239556","2020-10-21","18:00:00",""
"4516808","8.8965","0.0005","8.8965","0.0005","30.3964","0.0018","90","","90","","90","","2405.8","0.2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H29 I N2 O -","- C26 H27 I N2 O -","- C104 H108 I4 N8 O4 -","4","1","","Fan, Jiantao; Wright, Andrew G.; Britton, Benjamin; Weissbach, Thomas; Skalski, Thomas J. G.; Ward, Jonathan; Peckham, Timothy J.; Holdcroft, Steven","Cationic Polyelectrolytes, Stable in 10 M KOHaq at 100 °C","ACS Macro Letters","2017","6","10","1089","","10.1021/acsmacrolett.7b00679","","","1.54178","CuKα","","0.0645","0.064","","","0.1821","0.1826","","","","","","1.15","","","","has coordinates","239557","2020-10-21","18:00:00",""
"4517025","3.8541","0.0004","6.0625","0.0005","24.554","0.002","90","","94.163","0.004","90","","572.2","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C12 H14 O8 -","- C12 H14 O8 -","- C24 H28 O16 -","2","0.5","","Kumalaputri, Angela J.; Randolph, Caelan; Otten, Edwin; Heeres, Hero J.; Deuss, Peter J.","Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound.","ACS sustainable chemistry & engineering","2018","6","3","3419","3425","10.1021/acssuschemeng.7b03648","","","0.71073","MoKα","","0.0712","0.0668","","","0.1704","0.1729","","","","","","1.039","","","","has coordinates","239701","2020-10-21","18:00:00",""
"4517026","5.6334","0.0005","17.0832","0.0016","20.6455","0.0019","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","","Dahiya, Anjali; Ali, Wajid; Patel, Bhisma K.","Catalyst and Solvent Free Domino Ring Opening Cyclization: A Greener and Atom Economic Route to 2-Iminothiazolidines","ACS Sustainable Chemistry & Engineering","2018","6","3","4272","","10.1021/acssuschemeng.7b04723","","","0.71073","MoKα","","0.1041","0.0697","","","0.1275","0.1508","","","","","","0.821","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517027","16.0134","0.0007","9.3012","0.0003","16.3406","0.0008","90","","114.009","0.006","90","","2223.26","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 S2 -","- C24 H26 N2 O2 S2 -","- C96 H104 N8 O8 S8 -","4","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0702","0.046","","","0.1019","0.1147","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517028","10.1382","0.0006","11.3042","0.0006","13.3643","0.0013","101.411","0.006","93.392","0.006","97.289","0.005","1483.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O S -","- C14 H15 Cl N2 O S -","- C56 H60 Cl4 N8 O4 S4 -","4","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0984","0.0598","","","0.1414","0.1661","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517029","26.0519","0.0012","9.2061","0.0003","28.816","0.0015","90","","113.376","0.006","90","","6343.9","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C240 H288 N32 O16 S32 -","16","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.1007","0.0649","","","0.1451","0.1622","","","","","","1.071","","","","has coordinates,has disorder","239705","2020-10-21","18:00:00",""
"4517030","6.184","0.005","9.994","0.005","16.72","0.005","77.369","0.005","85.008","0.005","80.707","0.005","993.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C38 H52 N4 O6 S2 -","2","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0746","0.0526","","","0.128","0.1442","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517031","24.9132","0.0013","10.5411","0.0005","10.4984","0.0004","90","","101.545","0.005","90","","2701.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O S -","- C13 H13 Cl N2 O S -","- C104 H104 Cl8 N16 O8 S8 -","8","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","","0.71073","MoKα","","0.1037","0.0854","","","0.2111","0.221","","","","","","1.084","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4517996","10.1184","0.0006","15.462","0.0008","21.5377","0.001","71.492","0.002","78.041","0.002","81.087","0.002","3111.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H99 B Fe Mo N11 O P Si3 -","- C52 H99 B Fe Mo N11 O P Si3 -","- C104 H198 B2 Fe2 Mo2 N22 O2 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1333","0.0749","","0.2009","0.1655","0.2009","","","","","","0.971","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517998","25.3056","0.0015","19.7149","0.0015","13.1491","0.0008","90","","106.942","0.004","90","","6275.3","0.7","173","2","173.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C49 H72 Mo N5 P4 Rh Si3 -","- C49 H72 Mo N5 P4 Rh Si3 -","- C196 H288 Mo4 N20 P16 Rh4 Si12 -","4","0.5","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0974","0.0618","","","0.1594","0.1944","","","","","","1.09","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4517999","15.583","0.0006","15.7178","0.0007","20.182","0.0009","90.53","0.001","102.107","0.001","114.559","0.001","4370.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.937 H143.748 B Fe Mo N14 O0.563 P Si3 -","- C149.874 H287.496 B2 Fe2 Mo2 N28 O1.126 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1089","0.0712","","","0.1811","0.2153","","","","","","1.072","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518000","15.5835","0.0006","15.7173","0.0007","20.184","0.0009","90.529","0.001","102.106","0.001","114.564","0.001","4370.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.94 H143.76 B Fe Mo N14 O0.56 P Si3 -","- C74.938 H143.752 B Fe Mo N14 O0.562 P Si3 -","- C149.876 H287.504 B2 Fe2 Mo2 N28 O1.124 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1095","0.0713","","","0.1808","0.216","","","","","","1.069","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518001","15.5829","0.0006","15.7156","0.0007","20.1841","0.0009","90.527","0.001","102.106","0.001","114.566","0.001","4369.7","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144.01 B Fe Mo N14 O0.5 P Si3 -","- C75.002 H144.008 B Fe Mo N14 O0.498 P Si3 -","- C150.004 H288.016 B2 Fe2 Mo2 N28 O0.996 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0979","0.0628","","","0.1754","0.199","","","","","","1.026","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518002","15.5851","0.0006","15.7181","0.0007","20.1884","0.0009","90.525","0.001","102.11","0.001","114.568","0.001","4371.8","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H144 B Fe Mo N14 O0.5 P Si3 -","- C75.001 H144.004 B Fe Mo N14 O0.499 P Si3 -","- C150.002 H288.008 B2 Fe2 Mo2 N28 O0.998 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1108","0.0707","","","0.1961","0.2312","","","","","","1.077","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518003","15.5853","0.0006","15.718","0.0007","20.1871","0.0009","90.525","0.001","102.105","0.001","114.569","0.001","4371.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.99 H143.98 B Fe Mo N14 O0.51 P Si3 -","- C74.994 H143.976 B Fe Mo N14 O0.506 P Si3 -","- C149.988 H287.952 B2 Fe2 Mo2 N28 O1.012 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1118","0.0712","","","0.1974","0.2322","","","","","","1.078","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518004","15.5855","0.0006","15.7156","0.0007","20.2048","0.0009","90.537","0.001","102.134","0.001","114.548","0.001","4374.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.96 H143.82 B Fe Mo N14 O0.54 P Si3 -","- C74.957 H143.828 B Fe Mo N14 O0.543 P Si3 -","- C149.914 H287.656 B2 Fe2 Mo2 N28 O1.086 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1115","0.073","","","0.1876","0.2238","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518005","15.5883","0.0006","15.7107","0.0007","20.2311","0.0009","90.545","0.001","102.223","0.001","114.537","0.001","4378.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.03 H144.11 B Fe Mo N14 O0.47 P Si3 -","- C75.031 H144.124 B Fe Mo N14 O0.469 P Si3 -","- C150.062 H288.248 B2 Fe2 Mo2 N28 O0.938 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.115","0.0719","","","0.1964","0.2309","","","","","","1.066","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518006","15.5911","0.0006","15.7056","0.0007","20.2558","0.0009","90.557","0.001","102.29","0.001","114.548","0.001","4381.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C74.98 H143.92 B Fe Mo N14 O0.52 P Si3 -","- C74.981 H143.924 B Fe Mo N14 O0.519 P Si3 -","- C149.962 H287.848 B2 Fe2 Mo2 N28 O1.038 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1116","0.0721","","","0.186","0.2224","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518007","15.5964","0.0007","15.705","0.0007","20.2728","0.001","90.555","0.001","102.339","0.001","114.568","0.001","4384.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.17 B Fe Mo N14 O0.46 P Si3 -","- C75.045 H144.18 B Fe Mo N14 O0.455 P Si3 -","- C150.09 H288.36 B2 Fe2 Mo2 N28 O0.91 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1172","0.0733","","","0.1988","0.2361","","","","","","1.058","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518008","15.5984","0.0007","15.7039","0.0007","20.2878","0.001","90.557","0.001","102.371","0.001","114.583","0.001","4386.8","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.04 H144.15 B Fe Mo N14 O0.46 P Si3 -","- C75.037 H144.148 B Fe Mo N14 O0.463 P Si3 -","- C150.074 H288.296 B2 Fe2 Mo2 N28 O0.926 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1188","0.0739","","","0.1999","0.2369","","","","","","1.061","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518009","15.6007","0.0007","15.7039","0.0007","20.3019","0.001","90.554","0.001","102.407","0.001","114.596","0.001","4389.3","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.18 B Fe Mo N14 O0.45 P Si3 -","- C75.044 H144.176 B Fe Mo N14 O0.456 P Si3 -","- C150.088 H288.352 B2 Fe2 Mo2 N28 O0.912 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1211","0.0744","","","0.1997","0.2388","","","","","","1.04","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518010","15.6017","0.0011","15.7015","0.0012","20.3141","0.0016","90.572","0.002","102.466","0.002","114.617","0.002","4389.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75.05 H144.21 B Fe Mo N14 O0.45 P Si3 -","- C75.05 H144.2 B Fe Mo N14 O0.45 P Si3 -","- C150.1 H288.4 B2 Fe2 Mo2 N28 O0.9 P2 Si6 -","2","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.1278","0.0772","","","0.2077","0.2502","","","","","","1.023","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518477","6.03","0.03","30.28","0.16","11.18","0.06","90","","104.36","0.05","90","","1978","18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F2 N3 O4 -","- C21 H16 Cl F2 N3 O4 -","- C84 H64 Cl4 F8 N12 O16 -","4","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1609","0.0739","","","0.1969","0.2447","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518478","19.05","0.003","10.8747","0.0014","19.747","0.003","90","","90","","90","","4090.8","1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F3 N4 O3 -","- C20 H14 Cl F3 N4 O3 -","- C160 H112 Cl8 F24 N32 O24 -","8","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1055","0.0524","","","0.1091","0.1323","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518479","11.3899","0.0014","14.5663","0.0015","6.6853","0.0006","90","","90","","90","","1109.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 Cu N5 O4 -","- C8 H10 Cu N5 O4 -","- C32 H40 Cu4 N20 O16 -","4","1","","Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.","SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.","ACS omega","2021","6","2","1266","1272","10.1021/acsomega.0c04676","","","0.71073","MoKα","","0.0604","0.0436","","","0.0948","0.0987","","","","","","1.003","","","","has coordinates","261422","2021-02-03","21:03:20",""
"4518480","12.097","0.0012","7.7388","0.0008","15.2512","0.0015","90","","98.357","0.004","90","","1412.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(13R,15aS,16S,111R,111aR,2S)-111,34,2-trihydroxy-56-methoxy-12- methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a- epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)- dibenzenacycloheptaphane-11,14,6-trione","","- C29 H30 N2 O12 S2 -","- C29 H30 N2 O12 S2 -","- C58 H60 N4 O24 S4 -","2","1","","Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.","Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.","ACS omega","2021","6","3","2184","2191","10.1021/acsomega.0c05472","","","0.71073","MoKα","","0.1094","0.0609","","","0.1169","0.1403","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518481","10.7161","0.0004","20.8498","0.001","6.5316","0.0002","90","","90","","90","","1459.35","0.1","297","","297","","","","","","","","","5","P n n a","-P 2a 2bc","52","Potassium Vanadium Phosphate Hydrate","tripotassium trivanadium tetraphosphate monohydrate","","- H2 K3 O17 P4 V3 -","- H2 K3 O17 P4 V3 -","- H8 K12 O68 P16 V12 -","4","0.5","","Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.","Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries.","ACS omega","2021","6","3","1917","1929","10.1021/acsomega.0c04675","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02918","1.08","","","","","","","has coordinates","261424","2021-02-03","21:04:46",""
"4518494","9.13","0.005","10.005","0.005","13.765","0.006","92.986","0.017","101.29","0.02","107.468","0.018","1167.9","1","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Au Cl Fe2 P -","- C26 H23 Au Cl Fe2 P -","- C52 H46 Au2 Cl2 Fe4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0462","0.0406","","","0.1011","0.1042","","","","","","1.045","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518495","10.872","0.005","11.237","0.005","11.91","0.005","65.276","0.018","72.47","0.02","73.215","0.017","1237.8","1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Au Cl Fe2 O2 P -","- C27 H23 Au Cl Fe2 O2 P -","- C54 H46 Au2 Cl2 Fe4 O4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.05","0.0454","","","0.1206","0.1225","","","","","","1.111","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518496","18.102","0.004","14.686","0.004","25.322","0.005","90","","109.296","0.01","90","","6354","3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Cl4 Fe3 P -","- C31 H28 Au Cl4 Fe3 P -","- C248 H224 Au8 Cl32 Fe24 P8 -","8","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0528","0.0427","","","0.1055","0.1102","","","","","","1.071","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518497","19.1751","0.0019","9.6598","0.001","13.3995","0.0013","90","","120.229","0.0014","90","","2144.5","0.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","1","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng","Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction","ACS Omega","2021","6","8","5812","5824","10.1021/acsomega.0c06233","","","0.71073","MoKα","","0.0496","0.0452","","","0.1031","0.1064","","","","","","1.049","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518498","15.1676","0.0012","16.5831","0.0013","17.0312","0.0013","106.676","0.002","95.767","0.003","116.781","0.002","3528.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H68 Cl4 N4 O8 -","- C82 H68 Cl4 N4 O8 -","- C164 H136 Cl8 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1552","0.0751","","","0.1813","0.2504","","","","","","1.034","","","","has coordinates,has disorder","301843","2025-08-21","01:59:40",""
"4518499","13.1368","0.001","16.167","0.0012","16.9132","0.0012","75.115","0.002","85.626","0.002","75.727","0.003","3364.1","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","1","0.5","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1187","0.0653","","","0.1298","0.1782","","","","","","1.044","","","","has coordinates,has disorder","262442","2021-03-04","02:52:39",""
"4518500","13.8322","0.0004","14.8314","0.0005","17.2503","0.0006","86.082","0.001","70.408","0.001","80.111","0.001","3284.27","0.19","308","2","308","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1305","0.0646","","","0.1702","0.2197","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518528","8.0424","0.00005","13.88872","0.00007","25.03583","0.00014","90","","90","","90","","2796.47","0.03","100.01","0.1","100.01","0.1","","","","","","","Lindera aggregata","3","P 21 21 21","P 2ac 2ab","19","","Linderaggrenolide A","","- C31 H38 O8 -","- C31 H38 O8 -","- C124 H152 O32 -","4","1","","Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan","Linderaggrenolides A–N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata","ACS Omega","2021","6","8","5898","5909","10.1021/acsomega.0c06349","","x-ray","1.54184","CuKα","","0.0311","0.0307","","","0.0787","0.079","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518529","10.0138","0.0008","12.6312","0.0009","14.498","0.0014","101.619","0.007","100.574","0.007","101.945","0.006","1708.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 Fe2 O8 P S2 -","- C33 Fe2 O8 P S2 -","- C66 Fe4 O16 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.104","0.066","","","0.1809","0.214","","","","","","1.033","","","","has coordinates","262413","2021-03-03","21:09:09",""
"4518530","11.3522","0.001","12.0516","0.0015","13.4728","0.0011","67.057","0.009","65.881","0.008","64.689","0.01","1468.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H18.5 Fe2 N O5 P S2 -","- C28.5 H18.5 Fe2 N O5 P S2 -","- C57 H37 Fe4 N2 O10 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.1098","0.0645","","","0.1339","0.1589","","","","","","1.04","","","","has coordinates,has disorder","262414","2021-03-03","21:09:32",""
"4518531","10.1335","0.0003","29.5446","0.0006","16.6587","0.0004","90","","106.065","0.003","90","","4792.7","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl4 Co F N3 -","- C54 H52 Cl4 Co F N3 -","- C216 H208 Cl16 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0997","0.1054","","","","","","1.0217","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518532","21.7565","0.0016","14.1649","0.0009","16.2888","0.001","90","","111.466","0.008","90","","4671.7","0.6","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl2 Co F N3 -","- C50 H44 Cl2 Co F N3 -","- C200 H176 Cl8 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.1094","0.0613","","","0.1525","0.1724","","","","","","0.991","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518534","38.486","0.006","38.486","0.006","11.122","0.003","90","","90","","120","","14267","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H62 O61 Sm8 -","- C138 H62.0004 O61.0002 Sm7.9998 -","- C414 H186.001 O183.001 Sm23.9994 -","3","0.166667","","Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia","Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.","ACS omega","2021","6","10","6810","6816","10.1021/acsomega.0c05867","","","0.71073","MoKα","","0.0693","0.0661","","","0.1555","0.1574","","","","","","1.127","","","","has coordinates,has disorder","263586","2021-04-04","09:59:08",""
"4518540","12.7695","0.0003","11.3269","0.0002","23.2057","0.0006","90","","104.041","0.003","90","","3256.16","0.13","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba9 Cr4 S19 -","- Ba9 Cr4 S19 -","- Ba36 Cr16 S76 -","4","0.5","","Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units.","ACS omega","2021","6","10","6842","6847","10.1021/acsomega.0c06017","","x-ray","0.71073","MoKα","","0.0362","0.0257","","","0.0411","0.0431","","","","","","1.035","","","","has coordinates","263585","2021-04-04","09:58:54",""
"4518551","7.3043","0.0005","11.8154","0.0008","12.0064","0.0006","67.444","0.006","87.953","0.005","88.503","0.005","956.23","0.11","293","","293","","","","","","","","","4","P 1","P 1","1","-Epicatechin","(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","","- C19 H21 N2 O10.5 -","- C19 H21 N2 O10.5 -","- C38 H42 N4 O21 -","2","2","","Budziak-Wieczorek, Iwona; Maciołek, Urszula","Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies","ACS Omega","2021","6","12","8199","8209","10.1021/acsomega.0c06239","","","1.54184","CuKα","","0.067","0.0593","","","0.1554","0.1779","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518569","32.0854","0.0018","16.6338","0.0007","18.7396","0.0011","90","","106.521","0.002","90","","9588.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dimethylpyrazole-1-carbonyl)hydrazine + ethanol-toluene solvents","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C288 H384 N144 O48 -","24","3","","Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V.","New Reaction Products of Acetylacetone with Semicarbazide Derivatives","ACS Omega","2021","6","12","8637","8645","10.1021/acsomega.1c00518","","","0.71073","MoKα","","0.1097","0.0701","","","0.2211","0.2908","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518574","7.5864","0.0004","12.9878","0.0007","21.6163","0.0012","90","","90","","90","","2129.9","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N4 O Ru S -","- C18 H24 Cl2 N4 O Ru S -","- C72 H96 Cl8 N16 O4 Ru4 S4 -","4","1","","Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh","Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity","ACS Omega","2021","6","12","8226","8238","10.1021/acsomega.0c06265","","","0.71073","MoKα","","0.0485","0.0452","","","0.1148","0.1175","","","","","","1.035","","","","has coordinates","263588","2021-04-04","09:59:35",""
"4518681","6.1774","0.0018","22.134","0.007","11.445","0.004","90","","99.446","0.004","90","","1543.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N Nd O8 -","- C12 H14 N Nd O8 -","- C48 H56 N4 Nd4 O32 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0266","0.025","","","0.0654","0.0666","","","","","","0.603","","","","has coordinates","264798","2021-05-03","19:56:11",""
"4518682","5.9855","0.0007","22.116","0.003","6.1152","0.0007","90","","110.656","0.002","90","","757.46","0.16","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Gd N O8 -","- C12 H14 Gd N O8 -","- C24 H28 Gd2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0691","0.0506","","","0.1167","0.135","","","","","","1.01","","","","has coordinates","264799","2021-05-03","19:56:36",""
"4518683","6.1775","0.0004","22.1665","0.0013","11.4573","0.0008","90","","99.435","0.001","90","","1547.67","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Sm -","- C12 H14 N O8 Sm -","- C48 H56 N4 O32 Sm4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0403","0.0386","","","0.1201","0.1209","","","","","","1.113","","","","has coordinates","264800","2021-05-03","19:56:59",""
"4518684","6.2123","0.0008","22.161","0.003","11.4967","0.0015","90","","99.387","0.002","90","","1561.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Pr -","- C12 H14 N O8 Pr -","- C48 H56 N4 O32 Pr4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.046","0.0445","","","0.1201","0.1216","","","","","","0.741","","","","has coordinates","264801","2021-05-03","19:57:23",""
"4518685","5.9823","0.0008","22.145","0.003","6.1201","0.0008","90","","110.649","0.001","90","","758.69","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Eu N O8 -","- C12 H14 Eu N O8 -","- C24 H28 Eu2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0454","0.0379","","","0.0955","0.1075","","","","","","1.024","","","","has coordinates","264802","2021-05-03","19:57:47",""
"4518699","7.7081","0.0004","15.6681","0.0007","7.7483","0.0004","90","","113.824","0.002","90","","856.04","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0374","0.0264","","","0.0538","0.0567","","","","","","1.08","","","","has coordinates","265749","2021-06-04","00:58:13",""
"4518700","7.8597","0.0005","15.9234","0.001","8.0981","0.0005","90","","114.849","0.002","90","","919.67","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0249","0.0208","","","0.0462","0.0477","","","","","","1.078","","","","has coordinates","265749","2021-06-04","00:58:14",""
"4518701","21.7641","0.0013","17.4903","0.001","9.3685","0.0005","90","","90","","90","","3566.2","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H48 Cu4 K4 N12 O32 -","- C56 H44 Cu4 K4 N12 O32 -","- C112 H88 Cu8 K8 N24 O64 -","2","0.25","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.1638","0.1104","","","0.2224","0.2423","","","","","","1.173","","","","has coordinates,has disorder","265749","2021-06-04","00:58:14",""
"4518727","13.3663","0.0002","10.80081","0.00018","17.0804","0.0003","90","","102.718","0.0017","90","","2405.35","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis","ACS Omega","2021","6","21","13895","13903","10.1021/acsomega.1c01581","","","1.54184","CuKα","","0.0532","0.0451","","","0.1161","0.1246","","","","","","1.039","","","","has coordinates","265750","2021-06-04","00:58:22",""
"4518733","24.8417","0.0006","14.2633","0.0004","17.1697","0.0004","90","","128.915","0.001","90","","4733.6","0.2","100.02","","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu N2 O4 -","- C28 H24 Cu N2 O4 -","- C224 H192 Cu8 N16 O32 -","8","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.0291","0.0251","","","0.0698","0.0723","","","","","","1.066","","","","has coordinates","265751","2021-06-04","00:58:32",""
"4518734","12.028","0.0009","14.7995","0.0012","13.5238","0.001","90","","110.518","0.004","90","","2254.6","0.3","100.33","","100.33","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 O4 -","- C26 H18 Cl2 Cu N2 O4 -","- C104 H72 Cl8 Cu4 N8 O16 -","4","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.112","0.1023","","","0.3183","0.3223","","","","","","1.182","","","","has coordinates","265751","2021-06-04","00:58:33",""
"4518771","26.8708","0.0018","7.3323","0.0007","20.6528","0.0014","90","","95.548","0.006","90","","4050.1","0.5","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C152 H200 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0744","0.0537","","","0.1391","0.1534","","","","","","1.02","","","","has coordinates","265731","2021-06-03","19:48:47",""
"4518772","8.2535","0.0002","14.1548","0.0004","18.1606","0.0007","100.206","0.003","99.075","0.003","102.165","0.002","1998.79","0.11","150","2","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C76 H100 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0703","0.0495","","","0.124","0.1369","","","","","","1.046","","","","has coordinates","265732","2021-06-03","19:49:10",""
"4518773","7.7392","0.0004","15.8949","0.0016","17.396","0.002","110.066","0.011","90.729","0.007","90.19","0.007","2009.8","0.4","150","2","149.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18.6 H23.8 N5 O6 -","- C18.6 H23.8 N5 O6 -","- C74.4 H95.2 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.1407","0.0621","","","0.1311","0.1536","","","","","","0.786","","","","has coordinates","265733","2021-06-03","19:49:32",""
"4518774","7.7446","0.0001","15.5385","0.0002","36.6455","0.0007","90","","91.337","0.002","90","","4408.7","0.12","150","2","150.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H29 N5 O6 -","- C21 H29 N5 O6 -","- C168 H232 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0509","0.047","","","0.1337","0.1367","","","","","","1.076","","","","has coordinates,has disorder","265734","2021-06-03","19:49:56",""
"4518775","5.9795","0.0002","10.4226","0.0005","8.2748","0.0003","90","","95.08","0.004","90","","513.68","0.04","150","2","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0764","0.0773","","","","","","1.052","","","","has coordinates","265735","2021-06-03","19:50:17",""
"4518776","14.0556","0.0003","8.4265","0.0002","23.4225","0.0006","90","","90","","90","","2774.15","0.11","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl N O3 -","- C13 H22 Cl N O3 -","- C104 H176 Cl8 N8 O24 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0465","0.0449","","","0.117","0.1185","","","","","","1.065","","","","has coordinates","265736","2021-06-03","19:50:41",""
"4518794","7.8674","0.0012","10.8182","0.0015","16.305","0.003","94.407","0.007","91.928","0.007","97.087","0.007","1371.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C64 H48 N16 O8 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","0.71075","MoKα","","","0.083","","","","0.288","","","","","","1.038","","","","has coordinates","266964","2021-07-04","01:37:55",""
"4518795","16.516","0.0013","14.1547","0.0011","7.1025","0.0007","90","","91.122","0.006","90","","1660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH60_14_09_17","","","- C20 H10 Cl N5 -","- C20 H10 Cl N5 -","- C80 H40 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.1315","0.0627","","","0.1646","0.1904","","","","","","1.129","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518796","7.4315","0.0003","15.4721","0.0007","13.5859","0.0006","90","","91.551","0.002","90","","1561.55","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hamada_GH68C_11_10_17","","","- C20 H12 N6 -","- C20 H12 N6 -","- C80 H48 N24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0506","0.0441","","","0.1112","0.1177","","","","","","1.164","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518797","16.8422","0.0008","14.1742","0.0008","7.0948","0.0004","90","","90.995","0.004","90","","1693.45","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH64C_27_09_17","","","- C20 H10 Br N5 -","- C20 H10 Br N5 -","- C80 H40 Br4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0727","0.0551","","","0.1585","0.1819","","","","","","1.053","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518798","18.444","0.002","12.6807","0.0012","6.8046","0.0007","90","","90","","90","","1591.5","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0756","0.0687","","","0.1728","0.1781","","","","","","1.088","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518799","16.3529","0.0014","14.2319","0.0013","7.2576","0.0008","90","","97.256","0.008","90","","1675.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH61_17_09_17","","","- C21 H13 N5 O -","- C21 H13 N5 O -","- C84 H52 N20 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.159","0.0712","","","0.1798","0.2235","","","","","","1.106","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518800","7.0765","0.0005","14.1844","0.0009","15.9271","0.001","76.326","0.004","77.458","0.005","88.903","0.005","1515.44","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Hamada_GH59_13_09_17","","","- C20 H11 N5 -","- C20 H11 N5 -","- C80 H44 N20 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.079","0.0497","","","0.1505","0.1997","","","","","","0.738","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4518801","9.0705","0.0005","10.4979","0.0006","12.268","0.0007","94.399","0.003","106.772","0.003","96.64","0.003","1103.51","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37 N3 O Si2 Sr -","- C14 H37 N3 O Si2 Sr -","- C28 H74 N6 O2 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0723","0.0553","","","0.1362","0.1445","","","","","","0.966","","","","has coordinates","266965","2021-07-04","01:38:59",""
"4518802","10.027","0.002","10.505","0.002","12.868","0.003","86.037","0.012","72.8","0.01","81.722","0.011","1280.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H43 N3 O2 Si2 Sr -","- C17 H43 N3 O2 Si2 Sr -","- C34 H86 N6 O4 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0767","0.0553","","","0.1473","0.1654","","","","","","1.105","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518803","12.2155","0.0009","18.9312","0.0014","20.4702","0.0016","90","","90","","90","","4733.8","0.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 N3 O Si2 Sr -","- C15 H39 N3 O Si2 Sr -","- C120 H312 N24 O8 Si16 Sr8 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0627","0.0346","","","0.0783","0.0913","","","","","","1.045","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518804","18.04","0.0014","11.5817","0.0009","35.591","0.003","90","","103.789","0.004","90","","7221.9","1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H61 N4 O4 Sr1.5 -","- C29 H61 N4 O4 Sr1.5 -","- C232 H488 N32 O32 Sr12 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1126","0.0527","","","0.1219","0.144","","","","","","1.026","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518805","17.582","0.0007","14.2227","0.0005","23.1741","0.0009","90","","97.147","0.002","90","","5750","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 F18 N6 O9 Sr3 -","- C39 H60 F18 N6 O9 Sr3 -","- C156 H240 F72 N24 O36 Sr12 -","4","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0877","0.0566","","","0.1454","0.1665","","","","","","1.035","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518806","12.058","0.003","12.438","0.003","21.422","0.006","93.087","0.016","101.598","0.014","110.133","0.013","2928.3","1.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 F18 N6 O9 Sr3 -","- C42 H66 F18 N6 O9 Sr3 -","- C84 H132 F36 N12 O18 Sr6 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1047","0.0628","","","0.1545","0.175","","","","","","1.013","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518818","16.8193","0.001","17.3271","0.001","21.1897","0.0015","107.161","0.008","99.537","0.007","100.103","0.007","5651.6","0.7","160","","160","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","1","0.5","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54187","CuKα","","0.1491","0.1049","","","0.281","0.3259","","","","","","1.037","","","","has coordinates,has disorder","266966","2021-07-04","01:39:57",""
"4518819","17.9936","0.0004","37.0613","0.0007","20.437","0.0014","90","","113.409","0.008","90","","12507","1.2","163","","163","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H131 B3 F18 Fe6 N13 O14 -","- C116 H131 B3 F18 Fe6 N13 O14 -","- C464 H524 B12 F72 Fe24 N52 O56 -","4","1","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54178","CuKα","","0.1894","0.1012","","","0.2518","0.3043","","","","","","0.97","","","","has coordinates,has disorder","266966","2021-07-04","01:40:10",""
"4519003","6.4476","0.0002","9.4727","0.0003","12.1525","0.0003","96.18","0.002","92.803","0.002","108.433","0.003","697.34","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0421","0.0385","","","0.1051","0.1054","","","","","","1.0423","","","","has coordinates","268428","2021-09-03","20:23:24",""
"4519004","8.1526","0.0002","9.0963","0.0002","10.4069","0.0002","106.308","0.002","104.374","0.002","103.637","0.002","677.68","0.03","293","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C32 H24 N4 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0424","0.0408","","","0.1094","0.1105","","","","","","1.0462","","","","has coordinates","268429","2021-09-03","20:23:47",""
"4519005","10.246","0.0005","12.0419","0.0007","15.9309","0.0008","92.106","0.001","102.831","0.001","112.696","0.001","1751.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Pm-BBP","","","- C48 H30 N4 O2 -","- C48 H30 N4 O2 -","- C96 H60 N8 O4 -","2","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0945","0.0591","","","0.1362","0.1553","","","","","","1.013","","","","has coordinates","268430","2021-09-03","20:24:07",""
"4519006","21.622","0.001","14.9773","0.001","16.9507","0.0009","90","","107.267","0.002","90","","5241.9","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Py-MBP","","","- C36 H25 N2 O2.5 -","- C36 H25 N2 O2.5 -","- C288 H200 N16 O20 -","8","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1004","0.0517","","","0.1044","0.115","","","","","","1.02","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4519007","14.4202","0.0006","9.3653","0.0004","37.5025","0.0017","90","","90.967","0.002","90","","5064","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","TFA salt of Py-BBP","","","- C58 H36 F12 N2 O10 -","- C58 H36 F12 N2 O10 -","- C232 H144 F48 N8 O40 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1403","0.0678","","","0.1347","0.1661","","","","","","1.05","","","","has coordinates","268432","2021-09-03","20:24:54",""
"4519008","8.6204","0.0005","9.516","0.0005","14.2523","0.0009","108.353","0.002","100.322","0.002","94.923","0.002","1078.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Py-BBP","","","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","1","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0713","0.0447","","","0.0895","0.1023","","","","","","1.028","","","","has coordinates","268433","2021-09-03","20:25:09",""
"4519009","16.6568","0.0009","27.3432","0.0014","16.0488","0.0008","90","","110.19","0.001","90","","6860.3","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pm-MBP","","- C72 H50 Cl12 N8 O5 -","- C72 H50 Cl12 N8 O5 -","- C288 H200 Cl48 N32 O20 -","4","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1919","0.1084","","","0.2921","0.3305","","","","","","1.073","","","","has coordinates,has disorder","268434","2021-09-03","20:25:30",""
"4519010","6.9892","0.0012","9.8482","0.0016","17.931","0.003","90","","90.995","0.002","90","","1234","0.4","273","2","273","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C44 H36 F12 Fe4 N2 O8 S4 -","2","0.5","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0665","0.0598","","","0.1497","0.1553","","","","","","1.109","","","","has coordinates,has disorder","268435","2021-09-03","20:25:53",""
"4519011","16.5057","0.0018","14.3305","0.0016","28.243","0.003","90","","90.968","0.002","90","","6679.5","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C192 H160 F96 Fe16 N16 O64 S32 -","16","8","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0409","0.0363","","","0.0995","0.1034","","","","","","1.05","","","","has coordinates,has disorder","268436","2021-09-03","20:26:17",""
"4519012","14.385","0.003","20.809","0.005","23.264","0.005","90","","90","","90","","6964","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C256 H304 F48 Fe16 N8 O32 S16 -","8","2","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0573","0.0503","","","0.1251","0.1308","","","","","","1.052","","","","has coordinates","268437","2021-09-03","20:26:42",""
"4519013","10.5371","0.0005","23.5057","0.0012","14.5393","0.0007","90","","90","","90","","3601.1","0.3","273","2","273","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C128 H152 F24 Fe8 N4 O16 S8 -","4","0.25","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0702","0.0634","","","0.1945","0.2055","","","","","","1.057","","","","has coordinates","268438","2021-09-03","20:27:02",""
"4519014","22.883","0.005","9.712","0.002","32.042","0.007","90","","96.052","0.002","90","","7081","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C264 H216 F72 Fe24 N12 O48 S24 -","12","3","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.1215","0.0885","","","0.1997","0.2225","","","","","","1.007","","","","has coordinates,has disorder","268439","2021-09-03","20:27:27",""
"4519015","11.9414","0.0004","15.0754","0.0003","12.8497","0.0005","90","","116.707","0.005","90","","2066.44","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O9 Ru -","- C18 H16 N4 O9 Ru -","- C72 H64 N16 O36 Ru4 -","4","1","","Zheng, Zhiwei; Arai, Tsuyoshi; Takao, Koichiro","Complexation-Distribution Separated Solvent Extraction Process Designed for Rapid and Efficient Recovery of Inert Platinum Group Metals.","ACS omega","2021","6","33","21809","21818","10.1021/acsomega.1c03565","","","0.71073","MoKα","","0.0601","0.0387","","","0.1017","0.1148","","","","","","0.957","","","","has coordinates","268440","2021-09-03","20:27:53",""
"4519016","12.384","0.006","19.821","0.009","19.834","0.009","103.858","0.013","90.682","0.014","102.42","0.013","4606","4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 F42 N4 O12 Sm2 -","- C74 H70 F42 N4 O12 Sm2 -","- C148 H140 F84 N8 O24 Sm4 -","2","1","","Ganaie, Aabid Bashir; Iftikhar, Khalid","Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites.","ACS omega","2021","6","33","21207","21226","10.1021/acsomega.0c05976","","","","","","0.154","","","","","","","","","","","","","","","has coordinates","296836","2024-12-11","09:52:07",""
"4519071","18.3668","0.0011","18.3668","0.0011","49.803","0.003","90","","90","","120","","14549.7","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C31 H23 Cu2 N3 O13 P2 -","- C31 H23 Cu2 N3 O13 P2 -","- C372 H276 Cu24 N36 O156 P24 -","12","1","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.1819","0.1062","","","0.2921","0.3301","","","","","","0.974","","","","has coordinates","269493","2021-10-03","20:32:06",""
"4519072","16.652","0.0012","33.684","0.002","16.5376","0.0012","90","","90.498","0.001","90","","9275.7","1.1","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cu3 N7 O24 P3 -","- C62 H40 Cu3 N7 O24 P3 -","- C248 H160 Cu12 N28 O96 P12 -","4","0.5","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.0586","0.0467","","","0.14","0.1469","","","","","","1.012","","","","has coordinates","269494","2021-10-03","20:32:33",""
"4519073","10.5327","0.0013","13.9466","0.0018","15.712","0.002","63.727","0.002","74.453","0.002","78.923","0.002","1986.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 F6 Fe N7 O Sb -","- C40 H50 F6 Fe N7 O Sb -","- C80 H100 F12 Fe2 N14 O2 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0771","0.0489","","","0.1284","0.1473","","","","","","1.008","","","","has coordinates,has disorder","269495","2021-10-03","20:32:56",""
"4519074","9.9783","0.0012","10.928","0.0013","11.3674","0.0014","75.369","0.0018","88.574","0.0019","66.4191","0.0018","1095.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","1","0.5","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0294","0.0257","","","0.0673","0.0713","","","","","","1.012","","","","has coordinates,has disorder","269496","2021-10-03","20:33:14",""
"4519075","11.502","0.004","13.713","0.004","13.952","0.004","66.47","0.007","82.509","0.008","78.86","0.007","1976.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F6 Fe N6 Sb -","- C40 H50 F6 Fe N6 Sb -","- C80 H100 F12 Fe2 N12 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.1506","0.0732","","","0.1527","0.1872","","","","","","1.012","","","","has coordinates,has disorder","269497","2021-10-03","20:33:34",""
"4519076","16.2677","0.0002","16.0705","0.0002","11.287","0.0002","90","","90","","90","","2950.76","0.07","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H48 N4 O6 Ta -","- C22 H48 N4 O6 Ta -","- C88 H192 N16 O24 Ta4 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0172","0.0148","","","0.0377","0.0387","","","","","","1.0435","","","","has coordinates","269498","2021-10-03","20:34:07",""
"4519077","11.4733","0.0003","16.5773","0.0004","17.1424","0.0004","90","","95.6888","0.0017","90","","3244.36","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 N4 O6 Ta -","- C25 H50 N4 O6 Ta -","- C100 H200 N16 O24 Ta4 -","4","1","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0829","0.0636","","","0.157","0.1715","","","","","","1.1031","","","","has coordinates,has disorder","269499","2021-10-03","20:34:44",""
"4519078","24.089","0.0012","13.5356","0.0007","18.7495","0.0009","90","","105.603","0.002","90","","5888.2","0.5","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ta(NtBu)(mdpa)3","","","- C42 H84 N6 O14 Ta2 -","- C42 H84 N6 O14 Ta2 -","- C168 H336 N24 O56 Ta8 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","","0.71073","MoKa","","0.0252","0.0228","","","0.0564","0.0572","","","","","","1.093","","","","has coordinates","269500","2021-10-03","20:35:09",""
"4519079","5.9104","0.0013","11.2158","0.0016","31.305","0.008","90","","90.21","0.02","90","","2075.2","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one)","","- C22 H24 O2 S3 -","- C22 H24 O2 S3 -","- C88 H96 O8 S12 -","4","1","","Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin","Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses","ACS Omega","2021","6","38","24973","24980","10.1021/acsomega.1c04010","","","0.71073","MoKα","","0.1885","0.0798","","","0.0762","0.1009","","","","","","0.975","","","","has coordinates","269501","2021-10-03","20:35:38",""
"4519102","11.0125","0.0016","6.523","0.0011","14.3222","0.0012","90","","90","","90","","1028.8","0.2","290.69","0.16","290.69","0.16","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1376","0.0639","","","0.1057","0.1307","","","","","","1.011","","","","has coordinates","270242","2021-11-03","21:12:50",""
"4519103","19.939","0.005","7.058","0.003","8.04","0.003","90","","90","","90","","1131.5","0.7","291.6","0.3","291.6","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1899","0.1168","","","0.2487","0.294","","","","","","1.095","","","","has coordinates","270243","2021-11-03","21:13:08",""
"4519104","7.7137","0.0005","9.9031","0.0011","10.9047","0.0011","92.5","0.008","94.608","0.007","103.797","0.007","804.66","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1416","0.0808","","","0.1835","0.2458","","","","","","1.087","","","","has coordinates,has disorder","270244","2021-11-03","21:13:28",""
"4519105","15.779","0.002","8.8435","0.001","13.4059","0.0017","90","","90","","90","","1870.7","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H30 Ca Cl2 N2 O8 -","- C11 H30 Ca Cl2 N2 O8 -","- C44 H120 Ca4 Cl8 N8 O32 -","4","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1065","0.0658","","","0.1581","0.203","","","","","","1.089","","","","has coordinates","270245","2021-11-03","21:13:50",""
"4519106","29.327","0.006","5.869","0.0009","12.6542","0.0017","90","","108.828","0.014","90","","2061.5","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","0.5","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.0891","0.0742","","","0.1973","0.214","","","","","","1.042","","","","has coordinates","270246","2021-11-03","21:14:13",""
"4519107","20.3394","0.0009","7.8242","0.0003","9.5561","0.0004","90","","100.644","0.002","90","","1494.59","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribasic silver periodate","","- Ag2 H24 I4 K6 O32 -","- Ag2 H24 I4 K6 O32 -","- Ag4 H48 I8 K12 O64 -","2","0.25","","Spina, Carla J.; Notarandrea-Alfonzo, Johanny E; Guerra, Elizabeth D.; Goodall, Carlie; Bohle, D. Scott; Precht, Rod","Synthesis and Structural and Spectroscopic Studies of a pH-Neutral Argentic Chelate Complex: Tribasic Silver (III) Bisperiodate.","ACS omega","2021","6","41","27017","27025","10.1021/acsomega.1c03523","","","0.71073","MoKα","","0.0264","0.0221","","","0.0495","0.051","","","","","","1.079","","","","has coordinates","270247","2021-11-03","21:14:36",""
"4519108","21.358","0.003","7.2946","0.0011","22.017","0.003","90","","118.225","0.002","90","","3022.3","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee","Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines.","ACS omega","2021","6","41","27062","27069","10.1021/acsomega.1c03629","","","0.71073","MoKα","","0.0651","0.044","","","0.1106","0.1222","","","","","","1.034","","","","has coordinates","270248","2021-11-03","21:15:00",""
"4519109","8.4267","0.0006","14.1473","0.0009","21.5478","0.0013","89.327","0.003","87.798","0.004","75.631","0.004","2486.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.62 H7.25 Cl1.25 O11 Os3 S -","- C16.625 H7.25 Cl1.25 O11 Os3 S -","- C66.5 H29 Cl5 O44 Os12 S4 -","4","2","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0911","0.0636","","","0.1488","0.1674","","","","","","1.059","","","","has coordinates","270249","2021-11-03","21:15:27",""
"4519110","9.0414","0.0004","20.8788","0.0008","22.4877","0.001","65.347","0.002","86.861","0.003","81.045","0.003","3810.9","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","lwk476","","","- C57.8 H26.2 B3 O33 Os9 S3 -","- C57.8 H26.2 B3 O33 Os9 S3 -","- C115.6 H52.4 B6 O66 Os18 S6 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0879","0.063","","","0.1537","0.1724","","","","","","0.99","","","","has coordinates,has disorder","270250","2021-11-03","21:15:53",""
"4519111","8.4854","0.0005","12.0178","0.0006","12.884","0.0007","81.639","0.003","77.714","0.003","76.102","0.003","1240.01","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cl2 O12 Os3 S -","- C18 H8 Cl2 O12 Os3 S -","- C36 H16 Cl4 O24 Os6 S2 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0442","0.0392","","","0.1021","0.1054","","","","","","1.081","","","","has coordinates","270251","2021-11-03","21:16:14",""
"4519112","10.601","0.003","7.695","0.002","20.43","0.006","90","","94.097","0.003","90","","1662.3","0.8","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","","Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya","Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives.","ACS omega","2021","6","42","28441","28454","10.1021/acsomega.1c05283","","","0.71075","MoKα","","0.0384","0.0356","","","0.0928","0.0958","","","","","","1.049","","","","has coordinates","270252","2021-11-03","21:16:37",""
"4519113","15.2336","0.0008","16.3399","0.0007","13.8528","0.0007","90","","90","","90","","3448.2","0.3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mn N2 O2 S4 -","- C10 H22 Mn N2 O2 S4 -","- C80 H176 Mn8 N16 O16 S32 -","8","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0958","0.0699","","","0.1928","0.2233","","","","","","1.052","","","","has coordinates","270253","2021-11-03","21:16:59",""
"4519114","15.6601","0.0003","8.15454","0.00013","23.5223","0.0005","90","","108.507","0.002","90","","2848.48","0.1","240","0.1","240","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H42 Mn N2 O2 S4 -","- C20 H42 Mn N2 O2 S4 -","- C80 H168 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0709","0.0679","","","0.1796","0.1825","","","","","","1.099","","","","has coordinates,has disorder","270254","2021-11-03","21:17:25",""
"4519115","12.5433","0.0003","21.2751","0.0005","9.3308","0.0002","90","","102.885","0.002","90","","2427.32","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Mn N2 O2 S4 -","- C16 H34 Mn N2 O2 S4 -","- C64 H136 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.048","0.0372","","","0.0947","0.1006","","","","","","1.055","","","","has coordinates,has disorder","270255","2021-11-03","21:17:47",""
"4519116","20.8959","0.0013","8.0893","0.0004","15.3732","0.0009","90","","132.491","0.007","90","","1916.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Mn N2 O2 S4 -","- C12 H26 Mn N2 O2 S4 -","- C48 H104 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0301","0.0261","","","0.0612","0.0626","","","","","","1.053","","","","has coordinates","270256","2021-11-03","21:18:09",""
"4519117","7.5898","0.0004","11.8599","0.0005","16.0804","0.0007","70.704","0.004","78.932","0.004","72.591","0.004","1296.59","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Mn N2 O2 S4 -","- C18 H38 Mn N2 O2 S4 -","- C36 H76 Mn2 N4 O4 S8 -","2","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0333","0.0308","","","0.0778","0.079","","","","","","1.057","","","","has coordinates","270257","2021-11-03","21:18:30",""
"4519118","11.8338","0.0005","11.9042","0.0004","15.5003","0.0006","90","","106.751","0.002","90","","2090.9","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Mn N2 O2 S4 -","- C14 H30 Mn N2 O2 S4 -","- C56 H120 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0356","0.0282","","","0.0634","0.066","","","","","","1.022","","","","has coordinates","270258","2021-11-03","21:18:52",""
"4519119","19.517","0.004","14.714","0.008","9.4101","0.0019","90","","103.29","0.02","90","","2630","1.6","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","1","","Mondal, Surajit; Dey, Swapan","Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd<sup>2+</sup> Ions: A Complete Photophysical Analysis and Bio-Imaging Study.","ACS omega","2021","6","42","27936","27945","10.1021/acsomega.1c03793","","x-ray","0.71073","MoKα","","0.1829","0.061","","","0.1034","0.1429","","","","","","0.944","","","","has coordinates","270259","2021-11-03","21:19:37",""
"4519120","6.6328","0.0005","10.074","0.0008","5.9283","0.0005","90","","122.388","0.002","90","","334.5","0.05","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- F6 H4 Ir Na2 O2 -","- F6 Ir Na2 O2 -","- F12 Ir2 Na4 O4 -","2","0.25","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.0357","0.0357","","","","","","1.144","","","","has coordinates","270260","2021-11-03","21:20:11",""
"4519121","7.5963","0.0003","7.5963","0.0003","9.8056","0.0004","90","","90","","120","","490.01","0.03","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- F6 H4 Ir Na3 O2 -","- F6 Ir Na3 O2 -","- F18 Ir3 Na9 O6 -","3","0.166667","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0126","0.0126","","","0.0316","0.0316","","","","","","1.165","","","","has coordinates","270261","2021-11-03","21:20:39",""
"4519122","12.2464","0.0009","12.8292","0.001","15.963","0.0012","70.103","0.001","86.552","0.001","65.453","0.001","2135.4","0.3","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 Cl N O5 P2 Pt S -","- C48 H42 Cl N O5 P2 Pt S -","- C96 H84 Cl2 N2 O10 P4 Pt2 S2 -","2","1","","Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.","Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.","ACS omega","2021","6","42","28316","28325","10.1021/acsomega.1c04509","","","0.71073","MoKα","","0.0337","0.0262","","","0.0547","0.0577","","","","","","1.049","","","","has coordinates,has disorder","270262","2021-11-03","21:21:04",""
"4519182","8.219","0.0011","10.4446","0.0011","35.069","0.004","90","","90","","90","","3010.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 2-(3-benzoylthioureido)benzoate","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1138","0.0545","","","0.1101","0.1358","","","","","","0.991","","","","has coordinates,has disorder","271048","2021-12-03","21:37:05",""
"4519183","5.9027","0.0009","10.2604","0.0016","14.288","0.003","108.124","0.01","97.581","0.01","97.514","0.007","801.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((3-benzoylthioureido)methyl)cyclohexanecarboxylic acid","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C32 H40 N4 O6 S2 -","2","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1111","0.0573","","","0.1485","0.1765","","","","","","1.029","","","","has coordinates,has disorder","271049","2021-12-03","21:37:29",""
"4519184","9.4948","0.0013","10.1971","0.001","15.507","0.0019","85.995","0.005","84.791","0.012","89.282","0.01","1491.5","0.3","102","","102","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F10 N O4 P S2 -","- C26 H24 F10 N O4 P S2 -","- C52 H48 F20 N2 O8 P2 S4 -","2","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0782","0.0454","","","0.0906","0.0981","","","","","","1.01","","","","has coordinates,has disorder","271050","2021-12-03","21:37:53",""
"4519185","16.2282","0.0005","19.4802","0.0005","8.9123","0.0003","90","","90","","90","","2817.43","0.15","170","","170","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 F6 N O4 P S2 -","- C24 H24 F6 N O4 P S2 -","- C96 H96 F24 N4 O16 P4 S8 -","4","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0986","0.0544","","","0.1266","0.1537","","","","","","1.003","","","","has coordinates","271051","2021-12-03","21:38:16",""
"4519186","14.7187","0.0006","17.5538","0.0007","18.1439","0.0007","90","","93.788","0.002","90","","4677.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N O4 P S2 -","- C22 H24 F2 N O4 P S2 -","- C176 H192 F16 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0599","0.0425","","","0.0875","0.0947","","","","","","1.059","","","","has coordinates","271052","2021-12-03","21:38:43",""
"4519187","17.6631","0.0004","15.9667","0.0004","19.1524","0.0005","90","","90","","90","","5401.4","0.2","150","2","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H24 F6 N O4 P S2 -","- C25 H24 F6 N O4 P S2 -","- C200 H192 F48 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","1.54178","CuKα","","0.0428","0.0387","","","0.1033","0.1071","","","","","","1.042","","","","has coordinates,has disorder","271053","2021-12-03","21:39:07",""
"4519188","25.893","0.017","12.764","0.009","18.52","0.012","90","","132.228","0.017","90","","4532","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Fe2 N2 O10 -","- C16 H26 Fe2 N2 O10 -","- C128 H208 Fe16 N16 O80 -","8","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1355","0.076","","","0.1839","0.245","","","","","","1.075","","","","has coordinates","271054","2021-12-03","21:39:29",""
"4519189","9.0333","0.0013","10.5505","0.0015","12.4384","0.0018","70.784","0.005","88.387","0.006","81.848","0.006","1107.9","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Fe2 N2 O11 -","- C16 H28 Fe2 N2 O11 -","- C32 H56 Fe4 N4 O22 -","2","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1799","0.1064","","","0.1941","0.2303","","","","","","1.083","","","","has coordinates","271055","2021-12-03","21:39:52",""
"4519252","10.344","0.0009","10.419","0.0011","10.58","0.0011","92.229","0.007","102.919","0.006","103.078","0.006","1077.74","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 F6 N2 O6 -","- C20 H14 F6 N2 O6 -","- C40 H28 F12 N4 O12 -","2","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.54178","CuKα","","0.0798","0.0661","","","0.2027","0.2128","","","","","","1.019","","","","has coordinates,has disorder","271747","2022-01-03","21:44:24",""
"4519253","13.2786","0.0015","3.7845","0.0005","14.135","0.0017","90","","104.613","0.007","90","","687.35","0.15","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C30 H30 N6 O8 -","2","0.5","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","","1.54178","CuKα","","0.0735","0.0654","","","0.1851","0.1995","","","","","","1.093","","","","has coordinates,has disorder","271748","2022-01-03","21:44:46",""
"4519254","8.5863","0.0003","11.2015","0.0004","20.1697","0.0007","90","","99.146","0.002","90","","1915.25","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F6 N4 O6 -","- C18 H12 F6 N4 O6 -","- C72 H48 F24 N16 O24 -","4","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.34139","GaKα","","0.0885","0.0664","","","0.1721","0.1901","","","","","","1.076","","","","has coordinates,has disorder","271749","2022-01-03","21:45:08",""
"4519255","23.34","0.02","9.228","0.006","16.238","0.011","90","","92.475","0.019","90","","3494","4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O -","- C24 H22 O -","- C192 H176 O8 -","8","2","","Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan","Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes","ACS Omega","2021","6","51","35852","35865","10.1021/acsomega.1c06166","","","0.71073","MoKα","","0.0935","0.0779","","","0.203","0.2132","","","","","","1.098","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519256","27.6855","0.0008","9.629","0.0003","9.1455","0.0003","90","","92.959","0.001","90","","2434.79","0.13","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CPC-Sn","","- C21 H38 Cl3 N Sn -","- C21 H38 Cl3 N Sn -","- C84 H152 Cl12 N4 Sn4 -","4","1","","Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor","Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography","ACS Omega","2021","6","51","35433","35441","10.1021/acsomega.1c04034","","x-ray","1.54178","CuKα","","0.0321","0.0287","","","0.0637","0.0658","","","","","","1.085","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4519257","17.1405","0.0019","19.507","0.002","23.73","0.003","103.028","0.003","100.372","0.003","113.516","0.003","6756.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C40 H60 Ir4 Na7 O178 Sb4 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1295","0.0752","","","0.2071","0.266","","","","","","1.066","","","","has coordinates","271752","2022-01-03","21:46:25",""
"4519258","17.1496","0.0017","19.521","0.002","23.72","0.003","103.05","0.003","99.932","0.003","113.932","0.003","6752.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C40 H60 Bi4 Ir4 Na10 O174 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1089","0.0615","","","0.1559","0.1879","","","","","","1.034","","","","has coordinates","271753","2022-01-03","21:46:57",""
"4519259","13.6825","0.0007","13.7623","0.0007","18.3248","0.001","72.603","0.002","83.896","0.002","89.231","0.002","3273.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0498","0.0377","","","0.1042","0.11","","","","","","1.048","","","","has coordinates","271754","2022-01-03","21:47:17",""
"4519260","13.6643","0.0011","13.761","0.0011","18.2754","0.0014","72.177","0.002","84.281","0.002","88.693","0.002","3255.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0533","0.0375","","","0.0986","0.1061","","","","","","1.026","","","","has coordinates","271755","2022-01-03","21:47:33",""
"4519319","6.994","0.005","6.994","0.005","9.897","0.004","90","","90","","90","","484.1","0.5","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C2 Ca O5 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","0.5","","König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle","ACS Earth and Space Chemistry","2022","6","1","73","80","10.1021/acsearthspacechem.1c00284","","x-ray","0.2905","synchrotron","","0.1355","0.0667","","","0.0646","0.0873","","","","1.51","1.51","1.3","","","","has coordinates","272490","2022-02-03","21:35:45",""
"4519447","5.1227","","5.1227","","17.2957","","90","","90","","120","","393.067","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Radium Magnesium Carbonate","","- C2 Mg O6 Ra -","- C2 Mg O6 Ra -","- C6 Mg3 O18 Ra3 -","3","0.0833333","","Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio","New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations","ACS Earth and Space Chemistry","2022","6","10","2360","2367","10.1021/acsearthspacechem.2c00100","","","","","","","","","","","","","","","","","","","","","has coordinates","282351","2023-04-04","13:22:14",""
"5000112","7.148","0.003","17.59","0.008","5.202","0.002","90","","90","","90","","654.06","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl N O2 -","- C3 H8 Cl N O2 -","- C12 H32 Cl4 N4 O8 -","4","1","","di Blasio, B.; Pavone, V.; Pedone, C.","","Crystal Structure Communications","1977","6","","745","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000175","25.74","0.01","9.804","0.001","12.076","0.005","90","","118.21","0.03","90","","2685.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N5 O -","- C10 H19 N5 O -","- C80 H152 N40 O8 -","8","1","","Graham, A. J.; Akrigg, D.; Sheldrick, B.","","Crystal Structure Communications","1977","6","","281","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000249","8.156","0.001","9.904","0.001","26.557","0.003","90","","90","","90","","2145.2","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Coval, Stephen J.; Patton, Robert W.; Petrin, Joanne M.; James, Linda; Rothofsky, Marnie L.; Lin, Stanley L.; Patel, Mahesh; Reed, John K.; McPhail, Andrew T.; Robert Bishop, W.","A cembranolide diterpene farnesyl protein transferase inhibitor from the marine soft coral Lobophytum cristagalli","Bioorganic & Medicinal Chemistry Letters","1996","6","7","909","912","10.1016/0960-894X(96)00142-4","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5900034","6.119","","6.604","","12.051","","90","","106.2","","90","","467.64","","","","","","","","","","","","","3","P 1 21/c 1","","14","","Oxalic acid dihydrate","","- C2 H6 O6 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Ahmed, F. R.; Cruickshank, D. W. J.","A refinement of the crystal structure analyses of oxalic acid dihydrate","Acta Crystallographica","1953","6","5","385","392","10.1107/S0365110X53001083","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000086","10.3367","","10.3367","","10.3367","","90","","90","","90","","1104.45","","","","","","","","","","","","","4","P 21 3","","","","","","- Ce4 N6 O5 Si4 -","","","","","","Irran, E.; Kollisch, K.; Leoni, S.; Nesper, R.; Henry, P. F.; Weller, M. T.; Schnick, W.","Ce-4[Si4O4N6]O - a hyperbolically layered oxonitridosilicate oxide with an ordered distribution of oxygen and nitrogen","Chemistry - a European Journal","2000","6","","2714","2720","10.1002/1521-3765(20000804)6:15<2714::AID-CHEM2714>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000280","14.837","","3.1667","","10.49","","90","","134.919","","90","","349","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- K2 Mg O16 Sn7 -","","","","","","Uheda, K.; Horiuchi, A.; Takizawa, H.; Endo, T.","Synthesis and crystal structure of novel hollandite compounds A(x)Mg(x)/2Sn(8-x/2)O(16) (A = K, Rb, and Cs)","Journal of Porous Materials","1999","6","","161","166","10.1023/A:1009639607457","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000281","14.89","","3.1706","","10.514","","90","","134.989","","90","","351.05","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- Mg O16 Rb2 Sn7 -","","","","","","Uheda, K.; Horiuchi, A.; Takizawa, H.; Endo, T.","Synthesis and crystal structure of novel hollandite compounds A(x)Mg(x)/2Sn(8-x/2)O(16) (A = K, Rb, and Cs)","Journal of Porous Materials","1999","6","","161","166","10.1023/A:1009639607457","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000282","15.015","","3.1656","","10.621","","90","","135.061","","90","","356.59","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- Cs1.26 Mg0.63 O16 Sn7.37 -","","","","","","Uheda, K.; Horiuchi, A.; Takizawa, H.; Endo, T.","Synthesis and crystal structure of novel hollandite compounds A(x)Mg(x)/2Sn(8-x/2)O(16) (A = K, Rb, and Cs)","Journal of Porous Materials","1999","6","","161","166","10.1023/A:1009639607457","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000425","3.2064","","3.2064","","7.8478","","90","","90","","90","","80.68","","","","","","","","","","","","","2","I 4/m m m","","","","","","- Mo Si2 -","","","","","","Harada, Y.; Morinaga, M.; Saso, D.; Takata, M.; Sakata, M.","Refinement in crystal structure of MoSi2","Intermetallics","1998","6","","523","527","10.1016/S0966-9795(97)00102-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000525","13.794","","23.9","","8.4168","","90","","90","","90","","2774.82","","","","","","","","","","","","","3","P c c 2","","","","","","- Al O4 P -","","","","","","Mora, A. J.; Fitch, A. N.; Cole, M.; Goyal, R.; Jones, R. H.; Jobic, H.; Carr, S. W.","The structure of the calcined aluminophosphate AlPO(4)-5 determined by high-resolution X-ray and neutron powder diffraction","Journal of Materials Chemistry","1996","6","","1831","1835","10.1039/jm9960601831","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000662","8.8212","","9.2173","","5.4772","","102.622","","97.748","","102.459","","416.53","","","","","","","","","","","","","3","P -1","","","","","","- O10 P2 U2 -","","","","","","Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","U(UO2)((PO4)2, a new mixed-valence uranium orthophosphate - ab-initio structure determination from powder diffraction data and optical and X-RAY photoelectro spectra","Chemistry of Materials","1994","6","","1049","1058","10.1021/cm00043a029","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000663","19.549","","19.549","","19.549","","90","","90","","90","","7470.91","","","","","","","","","","","","","5","P43-n","","","","","","- C16 H48 Ge4 N4 S10 -","","","","","","Pivan, J. Y.; Achak, O.; Louer, M.; Louer, D.","The novel thiogermanate [(CH3)4N]4GE4S10 with a high cubic cell-volume - ab-initio structure determination from conventional X-ray-powder diffraction","Chemistry of Materials","1994","6","","827","830","10.1021/cm00042a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7115348","37.446","0.002","10.0704","0.0007","13.1981","0.001","90","","101.015","0.006","90","","4885.3","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C240 H200 N8 O40 -","8","1","","Jardim, Guilherme A. M.; Guimarães, Tiago T.; Pinto, Maria do Carmo F. R.; Cavalcanti, Bruno C.; de Farias, Kaio M.; Pessoa, Claudia; Gatto, Claudia C.; Nair, Divya K.; Namboothiri, Irishi N. N.; da Silva Júnior, Eufrânio N.","Naphthoquinone-based chalcone hybrids and derivatives: synthesis and potent activity against cancer cell lines","Med. Chem. Commun.","2015","6","1","120","","10.1039/C4MD00371C","","x-ray","0.71073","MoKα","","0.194","0.0551","","","0.1062","0.1576","","","","","","0.927","","","","has coordinates","301857","2025-08-21","22:47:23",""
"7116086","8.429","0.005","15.689","0.009","13.238","0.008","90","","101.668","0.013","90","","1714.5","1.8","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N9 -","- C15 H21 N9 -","- C60 H84 N36 -","4","1","","Hoffknecht, Barbara C.; Albada, H. Bauke; Sturm, Marina; Prochnow, Pascal; Bandow, Julia E.; Metzler-Nolte, Nils","Synthesis and antibacterial activity of trivalent ultrashort Arg-Trp-based antimicrobial peptides (AMPs)","Med. Chem. Commun.","2015","6","2","372","","10.1039/C4MD00327F","","","0.71073","MoKα","","0.188","0.0986","","","0.2218","0.2671","","","","","","1.14","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116342","11.726","0.003","11.759","0.003","12.907","0.003","67.346","0.005","89.007","0.009","82.672","0.009","1628","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 N5 O4 S -","- C37 H37 N5 O4 S -","- C74 H74 N10 O8 S2 -","2","1","","Hao, Li-Ping; Xue, Wei-Zhe; Han, Xiao-Feng; He, Xing; Zhang, Jun; Zhou, Zhi-Ming","Design, synthesis and biological activity of 4′-[(benzimidazol-1-yl)methyl]biphenyl-2-sulphonamides as dual angiotensin II and endothelin A receptor antagonists","Med. Chem. Commun.","2015","6","4","715","","10.1039/C4MD00499J","","","0.71073","MoKα","","0.0669","0.0589","","","0.1241","0.1294","","","","","","1","","","","has coordinates,has disorder","301857","2025-08-21","22:47:25",""
"7116538","10.3823","0.0008","10.3886","0.0008","29.879","0.002","90","","90","","90","","3222.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B F2 I2 N5 -","- C32 H30 B F2 I2 N5 -","- C128 H120 B4 F8 I8 N20 -","4","1","","Bhattacharyya, Arnab; Dixit, Akanksha; Mitra, Koushambi; Banerjee, Samya; Karande, Anjali A.; Chakravarty, Akhil R.","BODIPY appended copper(ii) complexes of curcumin showing mitochondria targeted remarkable photocytotoxicity in visible light","Med. Chem. Commun.","2015","6","5","846","","10.1039/C4MD00425F","","","0.71073","MoKα","","0.0783","0.0458","","","0.1077","0.119","","","","","","0.938","","","","has coordinates","301857","2025-08-21","22:47:26",""
"7116721","11.987","0.003","12.551","0.003","14.454","0.004","90","","90","","90","","2174.6","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0498","0.045","","","0.1114","0.1142","","","","","","1.123","","","","has coordinates","301857","2025-08-21","22:47:26",""
"7116722","12.4798","0.0016","12.7207","0.0017","14.3452","0.0019","90","","90","","90","","2277.3","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O7 -","- C24 H34 O7 -","- C96 H136 O28 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0357","0.0339","","","0.0931","0.0949","","","","","","1.053","","","","has coordinates","301857","2025-08-21","22:47:26",""
"7117165","11.5632","0.0004","12.4279","0.0004","19.2238","0.0009","90","","90","","90","","2762.58","0.18","100.01","0.1","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H36 Au Cl N8 O4 -","- C20 H36 Au Cl N8 O4 -","- C80 H144 Au4 Cl4 N32 O16 -","4","1","","Serebryanskaya, T. V.; Zolotarev, A. A.; Ott, I.","A novel aminotriazole-based NHC complex for the design of gold(i) anti-cancer agents: synthesis and biological evaluation","Med. Chem. Commun.","2015","6","6","1186","","10.1039/C5MD00185D","","","1.54184","CuKα","","0.0855","0.0804","","","0.2039","0.2075","","","","","","1.084","","","","has coordinates","143717","2020-10-21","18:00:00",""
"7117187","5.438","0.0007","10.4231","0.0015","22.933","0.003","90","","90","","90","","1299.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,6aS)-5-((S)-4-amino-4-carboxybutanoyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylic acid","","- C11 H16 N3 O7 -","- C11 H17 N3 O7 -","- C44 H68 N12 O28 -","4","1","","Tamborini, Lucia; Mastronardi, Federica; Dall'Oglio, Federica; De Micheli, Carlo; Nielsen, Birgitte; Lo Presti, Leonardo; Conti, Paola; Pinto, Andrea","Synthesis of unusual isoxazoline containingβandγ-dipeptides as potential glutamate receptor ligands","Med. Chem. Commun.","2015","6","7","1260","","10.1039/C5MD00159E","","","0.71073","MoKα","","0.1337","0.0496","","","0.0769","0.099","","","","","","1.005","","","","has coordinates","143716","2020-10-21","18:00:00",""
"7117323","13.077","0.004","12.197","0.004","16.687","0.004","90","","114.69","0.018","90","","2418.3","1.3","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.1117","0.0698","","","0.1729","0.2595","","","","","","1.128","","","","has coordinates","301857","2025-08-21","22:47:28",""
"7117324","10.747","0.003","10.565","0.004","23.94","0.006","90","","111.837","0.011","90","","2523.2","1.4","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.098","0.0599","","","0.1473","0.2093","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117325","7.799","0.003","13.077","0.005","14.674","0.006","102.019","0.006","102.584","0.007","105.196","0.006","1352.4","0.9","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C30 H30 Br Cl N2 O3 -","- C30 H30 Br Cl N2 O3 -","- C60 H60 Br2 Cl2 N4 O6 -","2","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.1044","0.0695","","","0.1708","0.2572","","","","","","1.103","","","","has coordinates","301857","2025-08-21","22:47:28",""
"7117326","10.198","0.002","12.405","0.002","12.423","0.002","79.72","0.02","70.82","0.02","72.77","0.02","1412","0.5","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C31 H33 Cl N2 O4 -","- C31 H33 Cl N2 O4 -","- C62 H66 Cl2 N4 O8 -","2","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.0562","0.0383","","","0.0889","0.1131","","","","","","1.083","","","","has coordinates","301857","2025-08-21","22:47:28",""
"7117550","24.2051","0.0003","8.9799","0.0002","17.2946","0.0003","90","","101.412","0.001","90","","3684.82","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 N2 O3 P S2 -","- C15 H25 N2 O3 P S2 -","- C120 H200 N16 O24 P8 S16 -","8","1","","Alexander, Benjamin E.; Coles, Simon J.; Fox, Bridget C.; Khan, Tahmina F.; Maliszewski, Joseph; Perry, Alexis; Pitak, Mateusz B.; Whiteman, Matthew; Wood, Mark E.","Investigating the generation of hydrogen sulfide from the phosphonamidodithioate slow-release donor GYY4137","Med. Chem. Commun.","2015","6","9","1649","","10.1039/C5MD00170F","","","0.71073","MoKα","","0.0386","0.0329","","","0.0761","0.0804","","","","","","1.065","","","","has coordinates","301857","2025-08-21","22:47:29",""
"7117770","13.5275","0.001","7.5746","0.0005","18.3908","0.0011","90","","111.098","0.002","90","","1758.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.","1-[(2E)-3-Phenylprop-2-enoyl]-1H-benzimidazoles as anticancer agents: synthesis, crystal structure analysis and binding studies of the most potent anticancer molecule with serum albumin","Med. Chem. Commun.","2015","6","11","1942","","10.1039/C5MD00293A","","","0.71073","MoKα","","0.0591","0.0395","","","0.1016","0.1159","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117864","7.8954","0.0006","24.3573","0.0018","12.7445","0.0009","90","","94.249","0.003","90","","2444.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N4 O5 -","- C23 H22 F N4 O5 -","- C92 H88 F4 N16 O20 -","4","1","","Sha, Shao; Han, Hong-Wei; Gao, Fei; Liu, Tian-Bao; Li, Zhen; Xu, Chi; Zhong, Wei-Qing; Zhu, Hai-Liang","Discovery of fluoroquinolone derivatives as potent, selective inhibitors of PI3Kγ","Med. Chem. Commun.","2015","6","11","2029","","10.1039/C5MD00364D","","","0.71073","MoKα","","0.1921","0.1481","","","0.4093","0.4323","","","","","","1.679","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7118033","13.8619","0.0003","10.1495","0.0002","17.3464","0.0004","90","","104.941","0.0013","90","","2357.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23.8 F3 N5 O3.4 -","- C25 H23.8 F3 N5 O3.4 -","- C100 H95.2 F12 N20 O13.6 -","4","1","","Bernard-Gauthier, Vadim; Bailey, Justin J.; Aliaga, Arturo; Kostikov, Alexey; Rosa-Neto, Pedro; Wuest, Melinda; Brodeur, Garrett M.; Bedell, Barry J.; Wuest, Frank; Schirrmacher, Ralf","Development of subnanomolar radiofluorinated (2-pyrrolidin-1-yl)imidazo[1,2-b]pyridazine pan-Trk inhibitors as candidate PET imaging probes","Med. Chem. Commun.","2015","6","12","2184","","10.1039/C5MD00388A","","","1.54178","CuKα","","0.0987","0.0726","","","0.2051","0.2321","","","","","","1.054","","","","has coordinates,has disorder","171289","2020-10-21","18:00:00",""
"7118058","5.06412","0.00019","18.1609","0.0012","11.4569","0.0004","90","","97.646","0.004","90","","1044.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 N2 O4 Zn -","- C20 H18 Br2 N2 O4 Zn -","- C40 H36 Br4 N4 O8 Zn2 -","2","0.5","","Zhang, Hai-Rong; Liu, Yan-Cheng; Meng, Ting; Qin, Qi-Pin; Tang, Shang-Feng; Chen, Zhen-Feng; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Cytotoxicity, DNA binding and cell apoptosis induction of a zinc(ii) complex of HBrQ","Med. Chem. Commun.","2015","6","12","2224","","10.1039/C5MD00406C","","","0.7107","MoKα","","0.0887","0.0585","","","0.1323","0.1466","","","","","","1.084","","","","has coordinates","301857","2025-08-21","22:47:30",""
"7150796","5.07959","0.00013","16.8946","0.0004","27.9131","0.0007","78.308","0.0014","89.999","0.0014","81.384","0.0014","2318.12","0.1","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","2","","Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities","Organic & Biomolecular Chemistry","2008","6","2","296","307","10.1039/b710935k","","","1.54187","CuKα","","","0.0355","","","","0.0986","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150797","33.4101","0.0008","5.07911","0.00013","27.9188","0.0007","90","","101.832","0.0014","90","","4637","0.2","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C200 H224 N16 O48 -","8","1","","Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities","Organic & Biomolecular Chemistry","2008","6","2","296","307","10.1039/b710935k","","","1.54187","CuKα","","","0.0448","","","","0.17","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150798","10.2817","0.0001","10.6027","0.0001","11.7395","0.0002","64.164","0.001","86.195","0.001","73.578","0.001","1102.46","0.03","","","293","2","","","","","","","Homologous Wittig-type reaction of alpha-phosphonoalkanoate anion with epoxide","4","P -1","-P 1","2","","Dicyclohexylammoinum (1S*,2R*)-1-Benzyl-2-methyl- cyclopropanecarboxylate","","- C24 H37 N O2 -","- C24 H37 N O2 -","- C48 H74 N2 O4 -","2","1","","Krawczyk, Henryk; Wąsek, Katarzyna; Kędzia, Jacek; Wojciechowski, Jakub; Wolf, Wojciech M.","A general stereoselective method for the synthesis of cyclopropanecarboxylates. A new version of the homologous Horner‒Wadsworth‒Emmons reaction","Organic & Biomolecular Chemistry","2008","6","2","308","318","10.1039/b712145h","","","","","","0.0499","0.048","","","0.1374","0.1401","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150799","8.068","0.0002","10.874","0.0002","19.198","0.0005","105.27","0.001","98.082","0.001","98.075","0.001","1580.65","0.06","150","2","150","2","","","","","","","Synthesized","4","P -1","-P 1","2","Nitro-Bn-iPr-nPr-Ester","","","- C35 H35 N3 O9 -","- C35 H35 N3 O9 -","- C70 H70 N6 O18 -","2","1","","Plante, Jeffrey; Campbell, Fred; Malkova, Barbora; Kilner, Colin; Warriner, Stuart L.; Wilson, Andrew J.","Synthesis of functionalised aromatic oligamide rods","Organic & Biomolecular Chemistry","2008","6","1","138","146","10.1039/b712606a","","x-ray","0.71073","MoKα","","0.0866","0.049","","","0.125","0.1638","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150800","11.961","0.005","19.647","0.005","9.048","0.005","90","","94.251","0.005","90","","2120.4","1.6","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C92 H100 N12 O12 -","4","1","","Korotkikh, Nikolai I.; Cowley, Alan H.; Moore, Jennifer A.; Glinyanaya, Nataliya V.; Panov, Ilia S.; Rayenko, Gennady F.; Pekhtereva, Tatyana M.; Shvaika, Oles P.","Reaction of 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-5-ylidenes with a malonic ester","Organic & Biomolecular Chemistry","2008","6","1","195","199","10.1039/b712885a","","","0.71073","MoKα","","0.2404","0.0646","","","0.1139","0.1718","","","","","","0.967","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150801","17.3668","0.0007","11.4423","0.0003","23.2936","0.0009","90","","108.973","0.0017","90","","4377.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 O6 -","- C54 H56 O6 -","- C216 H224 O24 -","4","1","","Barton, Olaf G.; Neumann, B.; Stammler, H.-G.; Mattay, Jochen","Intramolecular direct arylation in an A,C-functionalized calix[4]arene","Organic & Biomolecular Chemistry","2008","6","1","104","111","10.1039/b713357j","","","0.71073","MoKα","","0.0971","0.0563","","","0.1232","0.1447","","","","","","1.01","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150802","11.5936","0.0002","11.6506","0.0003","17.2247","0.0003","73.0552","0.0011","75.3562","0.0013","77.6072","0.0012","2128.17","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H56 O6 -","- C54 H56 O6 -","- C108 H112 O12 -","2","1","","Barton, Olaf G.; Neumann, B.; Stammler, H.-G.; Mattay, Jochen","Intramolecular direct arylation in an A,C-functionalized calix[4]arene","Organic & Biomolecular Chemistry","2008","6","1","104","111","10.1039/b713357j","","","0.71073","MoKα","","0.1005","0.0526","","","0.1122","0.1271","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150803","8.7674","0.0009","9.3303","0.0009","31.529","0.003","90","","90","","90","","2579.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dicobalt hexacarbonyl 5-((1-hydroxycyclohexyl)ethynyl)-2'- deoxyuridine","Dicobalt hexacarbonyl 5-[(1-hydroxycyclohexyl)ethynyl]-2'-deoxyuridine","","- C23 H22 Co2 N2 O12 -","- C23 H22 Co2 N2 O12 -","- C92 H88 Co8 N8 O48 -","4","1","","Sergeant, Craig D.; Ott, Ingo; Sniady, Adam; Meneni, Srinivasarao; Gust, Ronald; Rheingold, Arnold L.; Dembinski, Roman","Metallo-nucleosides: synthesis and biological evaluation of hexacarbonyl dicobalt 5-alkynyl-2′-deoxyuridines","Organic & Biomolecular Chemistry","2008","6","1","73","80","10.1039/b713371e","","","0.71073","MoKα","","0.0431","0.0362","","","0.076","0.0786","","","","","","1.026","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150804","9.5122","0.0005","13.5695","0.0007","9.9716","0.0005","90","","106.4","0.002","90","","1234.73","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0454","0.0382","","","0.1076","0.1132","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150805","8.176","0.0005","23.3585","0.0015","9.0849","0.0005","90","","95.397","0.002","90","","1727.33","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C84 H88 N16 O4 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0519","0.0425","","","0.11","0.1163","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150806","8.9123","0.0006","10.1067","0.0007","19.3558","0.0014","90","","90.98","0.002","90","","1743.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0751","0.0415","","","0.0823","0.1009","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150807","5.2709","0.0012","16.736","0.004","12.148","0.003","90","","97.432","0.004","90","","1062.6","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H28 N4 O9 S -","- C16 H28 N4 O9 S -","- C32 H56 N8 O18 S2 -","2","1","","Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul","Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol","Organic & Biomolecular Chemistry","2008","6","1","81","91","10.1039/b713888a","","","0.71073","MoKα","","0.0564","0.0488","","","0.132","0.138","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150808","5.224","0.002","9.313","0.004","12.558","0.006","101.76","0.03","91.68","0.03","105","0.03","575.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O8 S2 -","- C18 H30 N4 O8 S2 -","- C18 H30 N4 O8 S2 -","1","0.5","","Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul","Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol","Organic & Biomolecular Chemistry","2008","6","1","81","91","10.1039/b713888a","","","0.75","synchrotron","","0.1272","0.1169","","","0.2928","0.3156","","","","","","3.024","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150809","12.1762","0.0002","17.4387","0.0002","20.106","0.0001","80.239","0.001","73.766","0.001","73.137","0.001","3904.56","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","in paper 2c","","","- C35 H25 N O -","- C35 H25 N O -","- C210 H150 N6 O6 -","6","3","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization–Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0792","0.049","","","0.1072","0.1238","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150810","8.519","0.0002","12.585","0.0003","10.241","0.0001","73.057","0.0011","86.768","0.0012","98.877","0.0009","1031.73","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","in paper 5e","","","- C29 H24 O -","- C29 H24 O -","- C58 H48 O2 -","2","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization–Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.084","0.0484","","","0.1122","0.1307","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150811","15.348","0.002","8.806","0.001","22.612","0.004","90","","109.831","0.003","90","","2874.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in paper 2a","","","- C37 H31 N O4 -","- C37 H31 N O4 -","- C148 H124 N4 O16 -","4","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0685","0.048","","","0.1073","0.1164","","","","","","1.043","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150812","15.277","0.003","37.64","0.008","7.251","0.002","90","","90","","90","","4169.5","1.7","200","2","200","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","in paper 11f","","","- C29 H24 O2 -","- C29 H24 O2 -","- C232 H192 O16 -","8","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization–Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0848","0.0612","","","0.1327","0.1415","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150813","9.82","0.03","9.82","0.03","16.09","0.03","90","","101.08","0.16","90","","1523","7","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","'N-((1S, 3S)-2,2-dichloro-1,3-dimethylcyclopropanecarbonyl)- (1S)-1-phenylethylam","","","- C14 H17 Cl2 N O -","- C14 H17 Cl2 N O -","- C56 H68 Cl8 N4 O4 -","4","2","","Yasukochi, Hiroaki; Atago, Takayuki; Tanaka, Akihiro; Nakatsuji, Hidefumi; Yoshida, Eri; Kakehi, Akikazu; Nishii, Yoshinori; Tanabe, Yoo","Practical, general, and systematic method for optical resolution of gem-dihalo- and monohalocyclopropanecarboxylic acids utilizing chiral 1,1′-binaphtholmonomethyl ethers: Application to the synthesis of three chiral pesticides","Organic & Biomolecular Chemistry","2008","6","3","540","547","10.1039/b714614k","","","0.71069","MoKα","","","0.0601","","","","0.2149","","","","","","0.955","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150814","14.5931","0.0006","21.5413","0.0008","8.0149","0.0003","90","","90","","90","","2519.52","0.17","0","2","0","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H30 N2 O3 S2 -","- C28 H30 N2 O3 S2 -","- C112 H120 N8 O12 S8 -","4","1","","Cheruku, Pradeep; Paptchikhine, Alexander; Ali, Muhammad; Neudörfl, Jörg-M.; Andersson, Pher G.","Development of new thiazole-based iridium catalysts and their applications in the asymmetric hydrogenation of trisubstituted olefins","Organic & Biomolecular Chemistry","2008","6","2","366","373","10.1039/b714744a","","","0.71073","MoKα","","0.0748","0.0465","","","0.0861","0.0939","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150815","8.43","0.001","16.304","0.001","20.801","0.001","90","","90","","90","","2858.9","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H46 O5 Si -","- C28 H46 O5 Si -","- C112 H184 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0655","0.0417","","","0.098","0.1255","","","","","","1.135","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150816","10.819","0.0004","5.371","0.0001","15.64","0.0005","90","","102.809","0.0016","90","","886.21","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0708","0.0603","","","0.1606","0.1765","","","","","","1.098","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150817","7.8054","0.0005","10.1991","0.0009","14.3886","0.0006","90","","90","","90","","1145.45","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0506","0.0436","","","0.1078","0.1104","","","","","","1.143","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150818","8.04","0.003","16.929","0.003","19.604","0.003","90","","90","","90","","2668.3","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 Si -","- C26 H44 O5 Si -","- C104 H176 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0741","0.046","","","0.1233","0.1699","","","","","","1.246","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150819","7.72","0.004","6.415","0.003","12.126","0.005","90","","96.616","0.011","90","","596.5","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6891","Synchrotron","","0.0603","0.0455","","","0.1179","0.12","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150820","14.3428","0.0007","14.3428","0.0007","8.9246","0.0004","90","","90","","120","","1589.96","0.13","150","2","150","2","","","","","","","","3","P 63","P 6c","173","","","","- C11 H16 O4 -","- C11 H16 O4 -","- C66 H96 O24 -","6","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0345","0.0325","","","0.0869","0.0875","","","","","","1.191","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150821","8.279","0.003","8.724","0.003","9.245","0.004","97.164","0.008","94.153","0.008","116.289","0.008","587.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Mg O10 -","- C22 H30 Mg O10 -","- C22 H30 Mg O10 -","1","0.5","","Bernat, Virginie; André, Chantal; André-Barrès, Christiane","Weak chemiluminescence emission during base induced rearrangement of G-factors","Organic & Biomolecular Chemistry","2008","6","3","454","457","10.1039/b715491g","","","0.71073","MoKα","","0.1287","0.06","","","0.1115","0.1347","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150822","11.4202","0.0007","13.2038","0.0008","13.6607","0.0008","106.538","0.001","90.402","0.001","115.04","0.001","1769.71","0.19","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C96 H112 -","4","2","","Pollard, Michael M.; Meetsma, Auke; Feringa, Ben L.","A redesign of light-driven rotary molecular motors","Organic & Biomolecular Chemistry","2008","6","3","507","512","10.1039/b715652a","","","0.71073","MoKα","","0.0612","0.0496","","","0.1176","0.124","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150823","38.531","0.009","5.981","0.001","16.016","0.004","90","","93.416","0.004","90","","3684.4","1.4","100","1","100","1","","","","","","","see text","2","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 -","- C24 H28 -","- C192 H224 -","8","1","","Pollard, Michael M.; Meetsma, Auke; Feringa, Ben L.","A redesign of light-driven rotary molecular motors","Organic & Biomolecular Chemistry","2008","6","3","507","512","10.1039/b715652a","","","0.71073","MoKα","","0.0566","0.0451","","","0.1137","0.1211","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150824","7.9098","0.0008","16.815","0.0018","8.1247","0.0008","90","","91.953","0.007","90","","1079.98","0.19","150","","150","","","","","","","","Oscar Prieto reaction OP411","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C44 H56 N4 O10 S2 -","2","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.083","0.0569","","0.1155","0.1052","0.1155","","","","","","0.8677","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150825","5.9601","0.0001","9.7146","0.0002","16.6249","0.0003","100.634","0.001","100.386","0.001","99.836","0.001","909.57","0.03","150","","150","","","","","","","","Oscar Prieto OP-406 major diast","5","P -1","-P 1","2","","","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.046","0.0368","","0.1019","0.0991","0.1019","","","","","","0.9635","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150826","22.1667","0.0013","25.5085","0.0013","7.5733","0.0004","90","","90","","90","","4282.2","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C176 H224 N16 O40 S8 -","8","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.0744","0.0464","","0.0867","0.0745","0.0867","","","","","","0.9294","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150827","11.949","0.002","9.313","0.001","15.289","0.003","90","","101.84","0.02","90","","1665.2","0.5","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2- trifluoro-acetylamino)-2,7,14,19-tetraoxa- tricyclo(18.3.1.08,13)tetracos-24-yl ester","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2-trifluoro-acetylamino)- 2,7,14,19-tetraoxa-tricyclo[18.3.1.08,13]tetracos-24-yl ester","","- C28 H40 F6 N2 O10 -","- C28 H40 F6 N2 O10 -","- C56 H80 F12 N4 O20 -","2","1","","Oelze, Benjamin; Albert, Dieter; Kirschning, Andreas","Synthetic and structural studies on macrocyclic amino cyclitols – conformational chameleons","Organic & Biomolecular Chemistry","2008","6","13","2412","2425","10.1039/b716347a","","","0.71073","MoKα","","0.1769","0.0447","","","0.0593","0.073","","","","","","0.588","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150828","11.4747","0.0013","6.7238","0.0007","15.8519","0.0019","90","","97.2644","0.0018","90","","1213.2","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 N4 O13 Os -","- C20 H22 N4 O13 Os -","- C40 H44 N8 O26 Os2 -","2","1","","Umemoto, Tadashi; Okamoto, Akimitsu","Synthesis and characterization of the 5-methyl-2′-deoxycytidine glycol‒dioxoosmium‒bipyridine ternary complex in DNA","Organic & Biomolecular Chemistry","2008","6","2","269","271","10.1039/b716400a","","","0.71073","MoKα","","0.0212","0.0176","","","0.045","0.0456","","","","","","1.013","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150829","6.7091","0.0002","8.077","0.0002","13.7233","0.0004","103.96","0.0017","93.8881","0.0018","109.004","0.0018","673.62","0.03","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C30 H26 Br2 O8 -","2","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels–Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0345","0.0272","","0.0356","0.0321","0.0321","","","","","","1.0615","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150830","44.1595","0.0017","6.5892","0.0002","30.3735","0.0011","90","","127.205","0.0011","90","","7039.2","0.4","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O4 Si -","- C18 H22 O4 Si -","- C288 H352 O64 Si16 -","16","2","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels–Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0761","0.0394","","0.0487","0.041","0.041","","","","","","1.1512","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150831","9.308","0.0002","10.106","0.0002","14.4185","0.0003","90","","95.7272","0.0012","90","","1349.53","0.05","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C60 H52 Br4 O16 -","4","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels–Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0266","0.0208","","0.0264","0.0233","0.0233","","","","","","1.1202","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150832","9.3794","0.0002","9.9026","0.0002","10.4159","0.0002","86.4869","0.0012","66.0202","0.0013","79.5571","0.0015","869.21","0.03","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O4 Si -","- C18 H22 O4 Si -","- C36 H44 O8 Si2 -","2","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels–Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0462","0.0353","","0.0392","0.0371","0.0371","","","","","","1.0878","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150833","11.7777","0.0005","5.4798","0.0001","20.1905","0.0006","90","","90","","90","","1303.08","0.07","200","","200","","","","","","","","local","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels–Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.03","0.026","","0.0333","0.0312","0.0312","","","","","","1.1445","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150834","8.3666","0.0002","15.4945","0.0003","16.3029","0.0004","90","","90","","90","","2113.45","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 Cu F6 N3 O4 -","- C17 H27 Cu F6 N3 O4 -","- C68 H108 Cu4 F24 N12 O16 -","4","1","","Stones, Graham; Tripoli, Régis; McDavid, Colin L.; Roux-Duplâtre, Kewin; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","Investigation of macrocyclisation routes to 1,4,7-triazacyclononanes: efficient syntheses from 1,2-ditosylamides","Organic & Biomolecular Chemistry","2008","6","2","374","384","10.1039/b716938h","","","0.71073","MoKα","","0.0701","0.0405","","","0.063","0.0719","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150835","8.5196","0.0002","11.9778","0.0003","11.9934","0.0003","90","","90.014","0.0015","90","","1223.88","0.05","150","","150","","","","","","","","synthesis as described in manuscriptCCDC","4","P 1 21/n 1","-P 2yn","14","2-tert-butylsulfinyl-3-methoxyphenylmethanol","2-tert-butylsulfinyl-3-methoxyphenylmethanol","","- C12 H18 O3 S -","- C12 H18 O3 S -","- C48 H72 O12 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0417","0.0308","","0.0439","0.0368","0.0368","","","","","","1.0472","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150836","8.8092","0.0005","11.8522","0.0007","11.5256","0.0007","90","","91.543","0.002","90","","1202.93","0.12","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C48 H64 O12 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0859","0.0419","","0.0673","0.0478","0.0478","","","","","","1.0871","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150837","8.445","0.0003","12.0343","0.0004","11.7417","0.0004","90","","91.0936","0.0016","90","","1193.09","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0446","0.0326","","0.0494","0.0442","0.0442","","","","","","0.9915","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150838","5.9329","0.0008","14.5318","0.0019","18.898","0.003","90","","90","","90","","1629.3","0.4","566","2","566","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tricyclic compounds","","","- C14 H15.3 N5 O6.15 -","- C14 H15 N5 O6.15 -","- C56 H60 N20 O24.6 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.1687","0.0607","","","0.1058","0.1471","","","","","","0.977","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150839","5.6672","0.0005","9.8214","0.0009","21.2188","0.0019","90","","90","","90","","1181.03","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetracyclic compounds","","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C40 H56 N16 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0478","0.0406","","","0.09","0.0935","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150840","5.495","0.001","10.054","0.002","21.33","0.004","90","","90","","90","","1178.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0686","0.0283","","","0.0306","0.0357","","","","","","0.541","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150841","12.595","0.003","6.1165","0.0012","18.862","0.004","90","","106.42","0.03","90","","1393.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H45 N O4 -","- C30 H45 N O4 -","- C60 H90 N2 O8 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.1077","0.0672","","","0.1642","0.1885","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150842","10.981","0.002","6.1913","0.0012","17.85","0.004","90","","90.37","0.03","90","","1213.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C56 H78 N2 O6 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.0701","0.0536","","","0.1332","0.1531","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150843","6.3023","0.0008","19.07","0.002","35.095","0.004","90","","90","","90","","4217.9","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N O5 -","- C48 H67 N O5 -","- C192 H268 N4 O20 -","4","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71073","MoKα","","0.1378","0.0927","","","0.1999","0.2269","","","","","","1.148","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150844","8.2246","0.0002","8.6176","0.0002","11.5999","0.0003","69.521","0.001","88.202","0.001","85.002","0.001","767.27","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N4 O7 P -","- C13 H13 N4 O7 P -","- C26 H26 N8 O14 P2 -","2","1","","Griffiths, D. Vaughan; Al-Jeboori, Mohamad J.; Cheong, Yuen-Ki; Duncanson, Philip; Harris, Jayne E.; Salt, Michael C.; Taylor, Helen V.","Electron-rich heteroaroylphosphonates and their reaction with trimethyl phosphite","Organic & Biomolecular Chemistry","2008","6","3","577","585","10.1039/b717130g","","","0.71073","MoKα","","0.0379","0.0345","","","0.1165","0.1213","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150845","4.9892","0.0004","19.2928","0.0014","14.7103","0.0011","90","","99.045","0.001","90","","1398.34","0.18","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0979","0.0532","","","0.0865","0.0979","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150846","14.6537","0.0011","14.1922","0.0011","14.9966","0.0012","90","","108.831","0.001","90","","2951.9","0.4","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N3 O S -","- C7 H11 N3 O S -","- C84 H132 N36 O12 S12 -","12","3","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1425","0.1047","","","0.1972","0.2133","","","","","","1.245","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150847","10.5904","0.0006","26.0342","0.0014","9.6563","0.0005","90","","99.047","0.001","90","","2629.2","0.2","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","2","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1764","0.0883","","","0.1344","0.1644","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150848","7.369","0.0004","15.9322","0.0008","10.1036","0.0005","90","","98.626","0.001","90","","1172.79","0.1","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O S -","- C9 H15 N3 O S -","- C36 H60 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.039","0.0371","","","0.1003","0.1019","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150849","8.4053","0.0005","14.8272","0.0009","18.2296","0.0011","90","","90","","90","","2271.9","0.2","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N6 O2 S3 -","- C17 H28 N6 O2 S3 -","- C68 H112 N24 O8 S12 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0332","0.0309","","","0.0689","0.0697","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150850","9.4637","0.0005","9.9527","0.0006","13.2117","0.0008","81.31","0.001","79.178","0.001","68.971","0.001","1136.1","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0502","0.0445","","","0.1267","0.1317","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150851","12.321","0.002","18.376","0.003","9.3465","0.0016","90","","116.339","0.003","90","","1896.5","0.5","295","1","295","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C80 H84 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1637","0.0815","","","0.0973","0.1213","","","","","","0.94","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150852","11.799","0.002","14.9","0.003","21.767","0.004","90","","98.298","0.003","90","","3786.7","1.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-tert-butyl 2,6-di((E)-4-isopropylbenzylidene)-4-cyano-4- phenyl-1,7-heptanedioate","Di-tert-butyl 2,6-di[(E)-4-isopropylbenzylidene]- 4-cyano-4-phenyl-1,7-heptanedioate","","- C42 H51 N O4 -","- C42 H51 N O4 -","- C168 H204 N4 O16 -","4","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis–Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.097","0.058","","","0.1491","0.1687","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150853","9.0369","0.0018","25.751","0.005","9.274","0.0018","90","","96.108","0.003","90","","2145.9","0.7","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5'-Di((E)-benzylidene)-(1,2,3,4-tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)","2,5'-Di[(E)-benzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]","","- C28 H21 N O3 -","- C28 H21 N O3 -","- C112 H84 N4 O12 -","4","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis–Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0528","0.0427","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150854","9.0278","0.0007","10.5146","0.0009","13.4184","0.0011","79.22","0.001","75.225","0.001","72.025","0.001","1163.34","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","2,5'-Di((E)-2-chlorobenzylidene)-(1,2,3,4- tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)","2,5'-Di[(E)-2-chlorobenzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]","","- C28 H19 Cl2 N O3 -","- C28 H19 Cl2 N O3 -","- C56 H38 Cl4 N2 O6 -","2","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis–Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0557","0.0412","","","0.1006","0.1064","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150855","10.0689","0.0007","10.7855","0.0008","12.4469","0.0009","101.142","0.001","108.914","0.001","105.628","0.001","1171.6","0.15","298","","298","","","","","","","","","4","P -1","-P 1","2","3,3-Spiro-bis((5-(E)-4-ethylbenzylidene)piperidine-2,6-dione)","3,3-Spiro-bis[{5-(E)-4-ethylbenzylidene}piperidine-2,6-dione]","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C54 H52 N4 O8 -","2","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis–Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0803","0.0617","","","0.1824","0.1963","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150856","14.2014","0.0019","15.4184","0.0019","15.7438","0.0017","73.389","0.009","81.409","0.01","66.041","0.009","3016.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H72 Cl6 N6 O6 -","- C63 H72 Cl6 N6 O6 -","- C126 H144 Cl12 N12 O12 -","2","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.1506","0.105","","","0.2809","0.3167","","","","","","1.063","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150857","21.973","0.0016","14.2644","0.0006","16.7013","0.0012","90","","96.085","0.006","90","","5205.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H66 Cl N7 O6 -","- C55 H66 Cl N7 O6 -","- C220 H264 Cl4 N28 O24 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.0833","0.0464","","","0.0944","0.1056","","","","","","0.958","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150858","13.819","0.0008","17.9176","0.001","21.6376","0.001","90","","90","","90","","5357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H66 N6 O9 S2 -","- C55 H66 N6 O9 S2 -","- C220 H264 N24 O36 S8 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.0388","0.0344","","","0.084","0.0859","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150859","12.027","0.002","10.945","0.002","24.151","0.008","90","","105.89","0.03","90","","3057.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O4 -","- C37 H32 N2 O4 -","- C148 H128 N8 O16 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Prakash, B. Veda","Double cascade reactions based on the Barbas dienamine platform: highly stereoselective synthesis of functionalized cyclohexanes for cardiovascular agents","Organic & Biomolecular Chemistry","2008","6","4","719","726","10.1039/b718122a","","","0.71073","MoKα","","0.0897","0.0729","","","0.1515","0.1602","","","","","","1.154","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150860","8.336","0.005","11.777","0.009","12.965","0.011","84.71","0.03","83.95","0.03","87.53","0.03","1259.6","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 B F2 N2 O2 -","- C13 H13 B F2 N2 O2 -","- C52 H52 B4 F8 N8 O8 -","4","2","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1329","0.0447","","","0.1431","0.193","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150861","9.272","0.011","11.368","0.017","16.05","0.03","98.48","0.05","104.48","0.06","109.8","0.03","1490","4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N2 O2 -","- C15 H17 B F2 N2 O2 -","- C60 H68 B4 F8 N8 O8 -","4","2","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1228","0.0744","","","0.1738","0.2386","","","","","","0.995","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150862","8.526","0.006","12.16","0.006","8.797","0.005","90","","93.64","0.03","90","","910.2","0.9","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H25 B F2 N2 O2 -","- C19 H25 B F2 N2 O2 -","- C38 H50 B2 F4 N4 O4 -","2","1","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.0482","0.0376","","","0.0781","0.0895","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150863","27.621","0.008","13.498","0.003","22.643","0.006","90","","128.066","0.01","90","","6646","3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 B Cl F2 N3 O2 -","- C31 H53 B Cl F2 N3 O2 -","- C248 H424 B8 Cl8 F16 N24 O16 -","8","1","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1324","0.1199","","","0.3261","0.3307","","","","","","1.083","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150864","10.584","0.003","10.448","0.003","14.677","0.004","90","","90.31","0.011","90","","1623","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N3 O5 -","- C17 H12 F3 N3 O5 -","- C68 H48 F12 N12 O20 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Harrison, John S.; Malone, John. F.; McRoberts, W. Colin; Hamilton, John T. G.; Harper, David B.","Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates","Organic & Biomolecular Chemistry","2008","6","7","1251","1259","10.1039/b718375e","","","0.71073","MoKα","","0.0851","0.0719","","","0.2173","0.233","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150865","14.4683","0.0009","17.0943","0.0011","4.92","0.0002","90","","90","","90","","1216.84","0.12","113","2","108","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 B Br O2 -","- C14 H10 B Br O2 -","- C56 H40 B4 Br4 O8 -","4","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0323","0.024","","","0.048","0.049","","","","","","0.955","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150866","31.502","0.003","7.6126","0.0006","12.1156","0.0007","90","","110.098","0.012","90","","2728.5","0.4","293","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 B O2 -","- C16 H15 B O2 -","- C128 H120 B8 O16 -","8","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.077","0.053","","","0.1391","0.1597","","","","","","1.012","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150867","4.957","0.0008","7.056","0.001","10.7572","0.0017","95.766","0.012","92.219","0.013","96.613","0.013","371.37","0.1","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 B Br O2 -","- C6 H6 B Br O2 -","- C12 H12 B2 Br2 O4 -","2","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.027","0.0241","","","0.0589","0.0595","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150868","8.2637","0.0009","9.2893","0.0008","14.5479","0.0019","98.514","0.009","104.995","0.01","99.904","0.009","1040.7","0.2","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 B O2 -","- C12 H11 B O2 -","- C48 H44 B4 O8 -","4","2","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.1072","0.0615","","","0.1427","0.159","","","","","","0.863","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150869","31.624","0.004","15.1613","0.0014","9.1559","0.0014","90","","90","","90","","4389.9","1","108","2","108","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C11 H17 B O2 -","- C11 H17 B O2 -","- C176 H272 B16 O32 -","16","","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0502","0.0406","","","0.0989","0.1014","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150870","7.5917","0.0005","17.728","0.0011","14.962","0.001","90","","98.148","0.006","90","","1993.3","0.2","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis2,6pyr-cyclen","","","- C23 H64 Cl7 N9 O6 -","- C23 H62 Cl7 N9 O6 -","- C46 H124 Cl14 N18 O12 -","2","1","","Delépine, Anne-Sophie; Tripier, Raphaël; Handel, Henri","Cyclen-based bismacrocycles for biological anion recognition. A potentiometric and NMR study of AMP, ADP and ATP nucleotide complexation","Organic & Biomolecular Chemistry","2008","6","10","1743","1750","10.1039/b719514a","","x-ray","0.71073","MoKα","","0.0639","0.0482","","","0.1238","0.1323","","","","","","1.015","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150871","19.246","0.006","5.8447","0.0016","14.509","0.005","90","","129.844","0.004","90","","1253.1","0.7","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Zhou; Mao, Jincheng; Zhang, Yawen","Highly enantioselective alkynylation of aldehydes catalyzed by a new oxazolidine–titanium complex","Organic & Biomolecular Chemistry","2008","6","7","1288","1292","10.1039/b719624e","","","0.7107","MoKα","","0.033","0.0315","","","0.0792","0.0802","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150872","14.505","0.001","10.7366","0.0007","10.6755","0.001","90","","100.855","0.007","90","","1632.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Vara, Yosu; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L.; Arriortua, María I.; Cossío, Fernando P.","Regiochemistry of the microwave-assisted reaction between aromatic amines and α-bromoketones to yield substituted 1H-indoles","Organic & Biomolecular Chemistry","2008","6","10","1763","1772","10.1039/b719641e","","","0.71073","MoKα","","0.1049","0.0584","","","0.1164","0.1363","","","","","","1.134","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150873","11.3216","0.0001","13.2699","0.0001","13.7391","0.0002","90","","90","","90","","2064.11","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.0721","0.048","","","0.1187","0.1295","","","","","","0.98","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150874","8.0817","0.001","14.5195","0.0018","17.141","0.002","90","","90","","90","","2011.4","0.4","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.037","0.033","","","0.0809","0.0832","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150875","5.35","","8.79","","10.58","","111.47","","94.77","","94.31","","458.412","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N2 O5 -","- C9 H6 N2 O5 -","- C18 H12 N4 O10 -","2","1","","Mahiout, Zahia; Lomberget, Thierry; Goncalves, Sylvie; Barret, Roland","Solvent-dependent oxidations of 5- and 6-azaindoles to trioxopyrrolopyridines and functionalised azaindoles","Organic & Biomolecular Chemistry","2008","6","8","1364","1376","10.1039/b719776d","","x-ray","0.71073","MoKα","","0.1193","0.0467","","0.115","0.0567","0.0567","","","","","","1.0578","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150876","8.5186","0.0006","14.4133","0.0011","19.634","0.0015","90","","90","","90","","2410.7","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H28 O8 -","- C26 H28 O8 -","- C104 H112 O32 -","4","1","","Guan, Zheng-Hui; Ren, Zhi-Hui; Zhao, Lian-Biao; Liang, Yong-Min","Palladium-catalyzed synthesis of indene derivatives via propargylic carbonates with in situ generated organozinc compounds","Organic & Biomolecular Chemistry","2008","6","6","1040","1045","10.1039/b719957k","","","0.71073","MoKα","","0.0676","0.0449","","","0.1131","0.1276","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150877","5.334","0.004","9.149","0.007","13.947","0.013","74.6","0.03","80.12","0.03","82.77","0.02","644.1","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework","Organic & Biomolecular Chemistry","2008","6","11","1926","1933","10.1039/b719960k","","","0.71075","MoKα","","0.0772","0.039","","","0.0692","0.0734","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150878","21.127","0.005","21.127","0.005","7.5223","0.0015","90","","90","","120","","2907.7","1.1","200","","200","","","","","","","","","4","P 63","P 6c","173","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C108 H168 N12 O18 -","6","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework","Organic & Biomolecular Chemistry","2008","6","11","1926","1933","10.1039/b719960k","","","0.71075","MoKα","","0.0538","0.0408","","","0.0928","0.0982","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150879","6.6262","0.0018","16.496","0.005","21.207","0.005","90","","90","","90","","2318","1.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Duguet, Nicolas; Campbell, Craig D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","N-Heterocyclic carbene catalysed β-lactam synthesis","Organic & Biomolecular Chemistry","2008","6","6","1108","1113","10.1039/b800857b","","","0.71073","MoKα","","0.0837","0.0687","","","0.162","0.1741","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150880","9.5372","0.0005","11.0197","0.0006","16.2672","0.0009","90","","92.323","0.002","90","","1708.23","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H54 O7 Si -","- C33 H54 O7 Si -","- C66 H108 O14 Si2 -","2","1","","Pattenden, Gerald; Ashweek, Neil J.; Baker-Glenn, Charles A. G.; Kempson, James; Walker, Gary M.; Yee, James G. K.","Total synthesis of (−)-ulapualide A, a novel tris-oxazole macrolide from marine nudibranchs, based on some biosynthesis speculation","Organic & Biomolecular Chemistry","2008","6","8","1478","1497","10.1039/b801036f","","","0.71073","MoKα","","0.0323","0.0312","","","0.0865","0.0878","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150881","10.1826","0.0008","9.5473","0.0007","10.2926","0.0011","90","","103.133","0.003","90","","974.44","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O4 -","- C17 H27 N3 O4 -","- C34 H54 N6 O8 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0984","0.0642","","","0.1654","0.1908","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150882","10.185","0.0012","9.447","0.0007","10.571","0.002","90","","103.216","0.004","90","","990.2","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N4 O3 -","- C17 H32 N4 O3 -","- C34 H64 N8 O6 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0747","0.045","","","0.1102","0.125","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150883","9.4284","0.0002","15.824","0.0003","21.002","0.0005","90","","98.536","0.002","90","","3098.68","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 N3 O3 -","- C13 H25 N3 O3 -","- C104 H200 N24 O24 -","8","2","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.71073","MoKα","","0.1189","0.0517","","","0.128","0.1544","","","","","","0.95","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150884","20.565","0.005","5.223","0.001","17.23","0.004","90","","105.921","0.008","90","","1779.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O3 -","- C16 H25 N3 O3 -","- C64 H100 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.7107","MoKα","","0.1033","0.0856","","","0.2327","0.2465","","","","","","1.087","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150885","12.169","0.006","9.397","0.003","16.467","0.002","90","","103.86","0.03","90","","1828.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 N3 O3 -","- C14 H29 N3 O3 -","- C56 H116 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","1.54184","CuKα","","0.0828","0.0656","","","0.1825","0.2002","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150886","9.3903","0.0007","16.0688","0.001","19.4462","0.0018","90","","90","","90","","2934.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N4 O6 -","- C26 H40 N4 O6 -","- C104 H160 N16 O24 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.71073","MoKα","","0.0992","0.0441","","","0.0809","0.0993","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150887","5.241","0.001","17.883","0.003","19.356","0.002","90","","90","","90","","1814.1","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O3 -","- C17 H27 N3 O3 -","- C68 H108 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","1.5406","","","0.0535","0.0503","","","0.1307","0.1377","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150888","4.675","0.002","9.497","0.002","10.809","0.003","76.78","0.02","81.59","0.03","77.55","0.02","453.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","1","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","1.5406","","","0.0714","0.0461","","","0.1039","0.1316","","","","","","1.144","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150889","10.712","0.006","11.368","0.004","15.945","0.004","90","","103.78","0.03","90","","1885.8","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 S2 -","- C18 H25 N O2 S2 -","- C72 H100 N4 O8 S8 -","4","1","","Bradshaw, Benjamin; Evans, Paul; Fletcher, Jane; Lee, Alan T. L.; Mwashimba, Paul G.; Oehlrich, Daniel; Thomas, Eric J.; Davies, Robin H.; Allen, Benjamin C. P.; Broadley, Kenneth J.; Hamrouni, Amar; Escargueil, Christine","Synthesis of 5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-ones: selective antagonists of muscarinic (M3) receptors","Organic & Biomolecular Chemistry","2008","6","12","2138","2157","10.1039/b801206g","","","1.5418","CuKα","","0.0677","0.0546","","","0.152","0.1688","","","","","","1.147","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150890","7.783","0.002","9.85","0.004","12.119","0.002","110.81","0.02","103.93","0.04","97.43","0.02","818.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","Bradshaw, Benjamin; Evans, Paul; Fletcher, Jane; Lee, Alan T. L.; Mwashimba, Paul G.; Oehlrich, Daniel; Thomas, Eric J.; Davies, Robin H.; Allen, Benjamin C. P.; Broadley, Kenneth J.; Hamrouni, Amar; Escargueil, Christine","Synthesis of 5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-ones: selective antagonists of muscarinic (M3) receptors","Organic & Biomolecular Chemistry","2008","6","12","2138","2157","10.1039/b801206g","","x-ray","0.71073","MoKα","","0.1167","0.0562","","","0.1095","0.1409","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150891","24.883","0.002","15.352","0.002","17.848","0.002","90","","133.61","0.003","90","","4936.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Br N O5 S -","- C26 H26 Br N O5 S -","- C208 H208 Br8 N8 O40 S8 -","8","1","","Evans, Paul; Lee, Alan T. L.; Thomas, Eric J.","Synthesis of a 6-aryloxymethyl-5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-one: a muscarinic (M3) antagonist","Organic & Biomolecular Chemistry","2008","6","12","2158","2167","10.1039/b801208c","","","0.71073","MoKα","","0.0566","0.0432","","","0.112","0.1203","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150892","10.0553","0.0019","13.715","0.002","15.384","0.003","64.024","0.007","80.245","0.012","70.714","0.01","1799.5","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H49 Cl N6 O2 -","- C40 H49 Cl N6 O2 -","- C80 H98 Cl2 N12 O4 -","2","1","","Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping","Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions","Organic & Biomolecular Chemistry","2008","6","10","1751","1755","10.1039/b801447g","","","0.7107","MoKα","","0.0756","0.0609","","","0.16","0.1702","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150893","12.077","0.002","13.878","0.003","14.279","0.003","108.73","0.03","107.18","0.03","95.52","0.03","2116.5","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 Cl3 N6 O4.5 -","- C43 H54 Cl3 N6 O4.5 -","- C86 H108 Cl6 N12 O9 -","2","1","","Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping","Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions","Organic & Biomolecular Chemistry","2008","6","10","1751","1755","10.1039/b801447g","","","0.71073","MoKα","","0.0658","0.0537","","","0.1127","0.1181","","","","","","1.144","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150894","13.1713","0.0003","7.0422","0.0001","14.1832","0.0003","90","","112.234","0.003","90","","1217.74","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O12 -","- C27 H20 N2 O12 -","- C54 H40 N4 O24 -","2","1","","Raffaelli, Barbara; Pohjoispää, Monika; Hase, Tapio; Cardin, Christine J.; Gan, Yu; Wähälä, Kristiina","Stereochemistry and rearrangement reactions of hydroxylignanolactones","Organic & Biomolecular Chemistry","2008","6","14","2619","2627","10.1039/b801593g","","","1.54184","Cukα","","0.0303","0.0292","","","0.0758","0.079","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150895","6.429","0.001","13.631","0.002","50.896","0.006","90","","90","","90","","4460.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(9alpha,13beta)-delta17,20-Protolanostane Alcohol","","","- C51 H84 O3 -","- C51 H80 O3 -","- C204 H320 O12 -","4","1","","Winne, Johan M.; De Clercq, Pierre J.; Milanesio, Marco; Pattison, Philip; Viterbo, Davide","Nonenzymic polycyclisation of analogues of oxidosqualene with a preformed C-ring","Organic & Biomolecular Chemistry","2008","6","11","1918","1925","10.1039/b801670d","","","0.7114","MoKα","","0.2217","0.2009","","","0.5235","0.5641","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150896","9.624","0.0011","7.9566","0.0009","9.8099","0.0011","90","","118.093","0.001","90","","662.68","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C26 H28 N4 O10 -","2","1","","Angelici, Gaetano; Contaldi, Simone; Lynn Green, Sarah; Tomasini, Claudia","Synthesis of imidazolidin-2-one-4-carboxylate and of (tetrahydro)pyrimidin-2-one-5-carboxylate via an efficient modification of the Hofmann rearrangement","Organic & Biomolecular Chemistry","2008","6","10","1849","1852","10.1039/b801909f","","","0.71073","MoKα","","0.0391","0.032","","","0.0799","0.0837","","","","","","1.234","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150897","6.8203","0.0008","5.5939","0.0007","20.585","0.003","90","","97.914","0.003","90","","777.88","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O9 -","- C14 H22 O9 -","- C28 H44 O18 -","2","1","","Nieto, Natalia; Munslow, Ian J.; Barr, Jonathan; Benet-Buchholz, J.; Vidal-Ferran, Anton","Dioxirane mediated asymmetric epoxidations: stereochemical studies via isotopic labeling","Organic & Biomolecular Chemistry","2008","6","13","2276","2281","10.1039/b801922c","","","0.71073","MoKα","","0.0939","0.05","","","0.1052","0.1244","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150898","6.566","0.0005","7.3847","0.0006","24.1727","0.0019","90","","90","","90","","1172.08","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0579","0.0308","","","0.0636","0.0717","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150899","11.0409","0.0011","6.1566","0.0006","12.5748","0.0013","90","","90.669","0.002","90","","854.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C32 H36 N4 O14 -","2","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0919","0.041","","","0.0864","0.1024","","","","","","0.913","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150900","10.2053","0.0004","10.5866","0.0005","16.192","0.0008","72.052","0.002","80.971","0.002","62.274","0.004","1472.97","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl N O Si2 -","- C30 H36 Cl N O Si2 -","- C60 H72 Cl2 N2 O2 Si4 -","2","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu–H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.0407","0.0384","","","0.1114","0.1136","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150901","14.6545","0.0004","21.6938","0.0006","19.1708","0.0005","90","","101.885","0.001","90","","5964","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N O2 Si2 -","- C31 H39 N O2 Si2 -","- C248 H312 N8 O16 Si16 -","8","2","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu–H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.0762","0.0554","","","0.1256","0.1384","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150902","10.2158","0.0003","10.5173","0.0003","16.3911","0.0005","72.213","0.002","81.203","0.002","61.845","0.003","1478.42","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 N O Si2 -","- C31 H39 N O Si2 -","- C62 H78 N2 O2 Si4 -","2","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu–H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.047","0.0426","","","0.1132","0.1172","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150903","5.99","0.0003","15.612","0.0008","19.9389","0.001","90","","90","","90","","1864.6","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O Si -","- C18 H20 Cl N O Si -","- C72 H80 Cl4 N4 O4 Si4 -","4","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu–H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.046","0.0408","","","0.0956","0.0998","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150904","8.013","0.002","13.312","0.003","13.652","0.002","105.984","0.007","106.137","0.012","107.137","0.009","1231.4","0.5","9","","9","","","","","","","","","4","P -1","-P 1","2","substituted aziridine","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","2","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.56","synchrotron","","0.0427","0.0271","","","","0.0241","","","","","","1.854","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150905","8.0274","0.0016","13.333","0.003","13.674","0.003","105.97","0.03","106.05","0.03","107.14","0.03","1238.5","0.7","27","2","27","2","","","","","","","","4","P -1","-P 1","2","acceptor-substituted aziridine","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","2","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.71073","MoKα","","0.052","0.033","","","","0.039","0.045","","","","","1.426","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150906","7.746","0.001","8.08","0.001","11.835","0.001","86.198","0.001","74.105","0.001","60.673","0.001","619.07","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted oxirane","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C24 H22 N2 O14 -","2","1","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.56","synchrotron","","0.058","0.032","","","","0.044","0.048","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150907","7.769","0.002","7.865","0.001","10.811","0.001","87.61","0.02","85.41","0.04","62.43","0.01","583.69","0.19","9","","9","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted olefin","","","- C12 H11 N O6 -","- C12 H11 N O6 -","- C24 H22 N2 O12 -","2","1","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.5166","synchrotron","","0.034","0.027","","","","0.033","0.049","","","","","1.468","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150908","13.6246","0.0003","7.0143","0.0001","7.8922","0.0002","90","","99.789","0.002","90","","743.25","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","6-cyclopropyl-9H-purine","6-cyclopropyl-9H-purine","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","0.5","","Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations","Organic & Biomolecular Chemistry","2008","6","13","2377","2387","10.1039/b802833h","","x-ray","1.54184","CuKα","","0.0446","0.0409","","0.0588","0.0577","0.0577","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150909","22.2791","0.0002","16.203","0.0001","4.98","","90","","90","","90","","1797.72","0.02","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","9-Benzyl-6-(2-(diethylcarbamoyl)cyclopropyl)purine","9-Benzyl-6-[2-(diethylcarbamoyl)cyclopropyl]purine","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C80 H92 N20 O4 -","4","1","","Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations","Organic & Biomolecular Chemistry","2008","6","13","2377","2387","10.1039/b802833h","","x-ray","1.54184","CuKα","","0.0361","0.0296","","0.0402","0.0328","0.0328","","","","","","1.0836","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150910","8.6787","0.0009","13.9781","0.0015","12.3242","0.0013","90","","99.664","0.002","90","","1473.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Fan, Li-Yan; Gao, Fei-Feng; Jiang, Wei-Hua; Deng, Min-Zhi; Qian, Chang-Tao","A simple, efficient Pd-catalyzed synthesis of N-sulfonylimines from organoboronic acids and tosylbenzimidoyl chlorides","Organic & Biomolecular Chemistry","2008","6","12","2133","2137","10.1039/b802867b","","","0.71073","MoKα","","0.0617","0.0498","","","0.1359","0.1425","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150911","3.7926","0.0008","20.217","0.004","12.385","0.003","90","","94.91","0.01","90","","946.1","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-bis(buta-1,3-diynyl)-pyridine","2,5-bis(buta-1,3-diynyl)-pyridine","","- C13 H5 N -","- C13 H5 N -","- C52 H20 N4 -","4","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC–CC–Ar–CC–CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.1796","0.0686","","","0.1609","0.208","","","","","","0.865","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150912","17.555","0.002","9.126","0.001","19.831","0.002","90","","101.46","0.01","90","","3113.7","0.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","6-(4-buta-1,3-diynyl-2,5-dimethoxyphenyl)-2-methylhexa-3,5- diyn-2-ol","6-(4-buta-1,3-diynyl-2,5-dimethoxyphenyl)-2-methylhexa- 3,5-diyn-2-ol","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC–CC–Ar–CC–CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.1036","0.0444","","","0.0795","0.0945","","","","","","0.903","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150913","5.7609","0.0007","9.0756","0.001","12.6163","0.0014","87.79","0.01","77.87","0.01","77.99","0.01","630.77","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6-(6-buta-1,3-diynyl-pyridin-3-yl)-2-methyl-hexa-3,5-diyn-2-ol","6-(6-buta-1,3-diynyl-pyridin-3-yl)-2-methyl-hexa-3,5-diyn-2-ol","","- C16 H11 N O -","- C16 H11 N O -","- C32 H22 N2 O2 -","2","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC–CC–Ar–CC–CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.0632","0.0436","","","0.1068","0.1171","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150914","11.778","0.002","16.333","0.003","21.185","0.005","90","","90","","90","","4075.4","1.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.0506","0.0506","","0.0603","","0.0603","","","1.032","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150915","9.198","0.002","9.198","0.002","40.598","0.008","90","","90","","90","","3434.7","1.3","293","","293","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","1.54178","CuKα","","0.0454","0.0454","","0.0484","","0.0484","","","1.565","","","1.565","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150916","11.014","0.001","13.24","0.002","17.939","0.002","90","","90","","90","","2616","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.048","0.048","","0.0734","","0.0734","","","0.739","","","0.739","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150917","5.96","0.001","12.835","0.002","16.626","0.001","90","","90","","90","","1271.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.049","0.049","","0.062","","0.062","","","1.512","","","1.512","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150918","9.819","0.003","11.498","0.003","11.946","0.003","68.553","0.004","69.635","0.004","69.955","0.004","1140.4","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C64 H48 N4 -","2","1","","Nair, Vijay; Nandialath, Vidya; Abhilash, Keecherikunnel G.; Suresh, Eringathodi","An efficient synthesis of indolo[3,2-a]carbazoles via the novel acid catalyzed reaction of indoles and diaryl-1,2-diones","Organic & Biomolecular Chemistry","2008","6","10","1738","1742","10.1039/b803009j","","","0.71073","MoKα","","0.0761","0.0591","","","0.1389","0.1482","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150919","8.2446","0.001","14.3609","0.0017","15.8071","0.0019","111.22","0.002","95.001","0.002","105.513","0.002","1645.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N2 O -","- C41 H40 Cl2 N2 O -","- C82 H80 Cl4 N4 O2 -","2","1","","Nair, Vijay; Nandialath, Vidya; Abhilash, Keecherikunnel G.; Suresh, Eringathodi","An efficient synthesis of indolo[3,2-a]carbazoles via the novel acid catalyzed reaction of indoles and diaryl-1,2-diones","Organic & Biomolecular Chemistry","2008","6","10","1738","1742","10.1039/b803009j","","","0.71073","MoKα","","0.1344","0.1089","","","0.2814","0.2994","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150920","9.4794","0.0005","12.6941","0.0006","16.9496","0.0009","102.548","0.001","102.983","0.001","90.422","0.001","1936.59","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4-isopropyl-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","11-Hydroxy-4-isopropyl-8,13-diaza-tricyclo[7.3.1.0^2,7^]trideca- 2(7),3,5,10-tetraene-8,10,13-tricarboxylic acid trimethyl ester","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C80 H96 N8 O28 -","4","2","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0806","0.0494","","","0.1163","0.1334","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150921","8.4449","0.0001","9.443","0.0002","13.2714","0.0002","95.001","0.001","100.061","0.001","99.238","0.001","1021.29","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-tert-Butyl-11-hydroxy-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimetyl ester","4-tert-Butyl-11-hydroxy-8,13-diaza-tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5,10- tetraene-8,10,13-tricarboxylic acid trimetyl ester","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C42 H52 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0634","0.0491","","","0.1301","0.1456","","","","","","1.035","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150922","8.2926","0.0002","8.4322","0.0002","13.9059","0.0003","91.236","0.001","98.845","0.001","95.885","0.001","955.05","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","","- C20 H22 N2 O7 -","- C20 H22 N2 O7 -","- C40 H44 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0579","0.0522","","","0.1486","0.1569","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150923","8.1758","0.0016","8.9304","0.0018","13.714","0.003","103.88","0.03","96.73","0.03","105.83","0.03","917.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4,5-dimethyl-8,13-diaza- tricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraene-8,13-tricarboxylic acid trimethyl ester","11-Hydroxy-4,5-dimethyl-8,13-diaza-tricyclo[7.3.1.02,7]trideca-2(7),3,5,10- tetraene-8,13-tricarboxylic acid trimethyl ester","","- C19 H22 N2 O7 -","- C19 H22 N2 O7 -","- C38 H44 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0542","0.0463","","","0.1068","0.1098","","","","","","1.055","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150924","7.4315","0.0016","8.443","0.0018","21.576","0.005","90","","90","","90","","1353.8","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0459","0.0419","","","0.1064","0.1085","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150925","8.7028","0.0011","13.9149","0.0015","30.493","0.003","90","","90","","90","","3692.7","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 F N2 O12.5 -","- C36.5 H43 F N2 O12.5 -","- C146 H172 F4 N8 O50 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0747","0.0621","","","0.127","0.1312","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150926","7.719","0.003","13.922","0.005","24.899","0.012","90","","90","","90","","2675.7","1.9","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br N2 O7 S -","- C25 H33 Br N2 O7 S -","- C100 H132 Br4 N8 O28 S4 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0508","0.0394","","","0.1069","0.1159","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150927","7.5366","0.0002","11.9922","0.0004","21.9804","0.0011","90","","90","","90","","1986.6","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Br N O2 -","- C22 H26 Br N O2 -","- C88 H104 Br4 N4 O8 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0436","0.0329","","","0.075","0.0787","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150928","13.851","0.003","4.8284","0.001","35.183","0.007","90","","90","","90","","2353","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O4 -","- C13 H9 F3 O4 -","- C104 H72 F24 O32 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.1026","0.0711","","","0.1693","0.1907","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150929","13.84","0.003","4.931","0.001","35.86","0.007","90","","90","","90","","2447.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C104 H72 F24 O24 S8 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.063","0.0526","","","0.1134","0.1202","","","","","","1.107","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150930","7.0866","0.0005","9.2066","0.0007","10.2121","0.0009","95.843","0.004","105.477","0.005","98.661","0.005","627.7","0.09","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C28 H28 O6 S2 -","2","1","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.1367","0.0757","","","0.1982","0.2341","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150931","11.6696","0.0003","13.9357","0.0003","17.5533","0.0003","101.922","0.0013","98.0811","0.0013","95.1456","0.001","2744.43","0.11","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","2","","Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.","Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues","Organic & Biomolecular Chemistry","2008","6","15","2755","2764","10.1039/b804106g","","","0.71073","MoKα","","0.0932","0.0551","","","0.1272","0.1498","","","","","","1.051","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150932","12.2155","0.0003","14.8014","0.0004","15.6657","0.0004","90","","90","","90","","2832.46","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","1","","Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.","Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues","Organic & Biomolecular Chemistry","2008","6","15","2755","2764","10.1039/b804106g","","","0.71073","MoKα","","0.0714","0.0456","","","0.1041","0.1193","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150933","5.1502","0.0003","11.2491","0.0009","26.05","0.002","90","","90.408","0.005","90","","1509.17","0.19","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Schmidt, Andreas; Michalik, Dirk; Rotzoll, Sven; Ullah, Ehsan; Fischer, Christine; Reinke, Helmut; Görls, Helmar; Langer, Peter","Synthesis of azoxabicyclo[3.3.1]nonanones based on diastereoselective reactions of 1,1-bis(trimethylsilyloxy)ketene acetals with isoquinolines and quinolines","Organic & Biomolecular Chemistry","2008","6","15","2804","2814","10.1039/b804139c","","","0.71073","MoKα","","0.121","0.0598","","","0.1252","0.1518","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150934","10.8722","0.001","5.6676","0.0005","12.916","0.0012","90","","106.839","0.001","90","","761.75","0.12","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0532","0.0482","","","0.1185","0.1252","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150935","10.9255","0.0006","5.6715","0.0003","12.9037","0.0008","90","","107.143","0.001","90","","764.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0607","0.0565","","","0.1142","0.1156","","","","","","1.175","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150936","8.8918","0.0003","15.1623","0.0007","13.7021","0.0005","90","","97.145","0.003","90","","1832.97","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O2 Si -","- C20 H24 O2 Si -","- C80 H96 O8 Si4 -","4","1","","Robertson, Jeremy; Green, Stuart P.; Hall, Michael J.; Tyrrell, Andrew J.; Unsworth, William P.","Further studies on silatropic carbonyl ene cyclisations: β-crotyl(diphenyl)silyloxy aldehyde substrates; synthesis of 2-deoxy-2-C-phenylhexoses","Organic & Biomolecular Chemistry","2008","6","14","2628","2635","10.1039/b804752a","","","0.71073","MoKα","","","0.0515","","","","0.0584","","","","","","1.0328","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150937","11.989","0.002","10.7196","0.001","13.1319","0.001","90","","98.847","0.009","90","","1667.6","0.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O4 -","- C19 H13 N3 O4 -","- C76 H52 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","","0.71069","MoKα","","0.2292","0.0509","","","0.1232","0.1403","","","","","","0.628","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150938","7.5107","0.0005","10.4161","0.0008","10.9534","0.0007","111.597","0.003","96.849","0.003","103.339","0.003","755.26","0.09","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 O4 -","- C15 H13 Cl N2 O4 -","- C30 H26 Cl2 N4 O8 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0557","0.0493","","","0.1162","0.1196","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150939","9.1376","0.0006","9.8479","0.0006","17.8528","0.0013","90","","98.305","0.004","90","","1589.66","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O3 -","- C19 H13 N3 O3 -","- C76 H52 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0575","0.0443","","","0.11","0.1178","","","","","","1.061","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150940","9.1044","0.0008","9.8097","0.0008","10.3197","0.0009","76.326","0.005","69.235","0.004","87.179","0.004","836.76","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H12 Cl N3 O3 -","- C19 H12 Cl N3 O3 -","- C38 H24 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0496","0.0415","","","0.1141","0.1203","","","","","","1.054","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150941","21.887","0.002","6.6306","0.0008","23.23","0.002","90","","90.527","0.005","90","","3371.1","0.6","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N3 O3 -","- C19 H12 Cl N3 O3 -","- C152 H96 Cl8 N24 O24 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0539","0.0451","","","0.1118","0.1181","","","","","","1.035","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150942","9.0017","0.0012","9.2015","0.0012","11.8723","0.0016","84.823","0.007","69.598","0.007","70.128","0.006","866.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C40 H30 N6 O8 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0632","0.0519","","","0.13","0.1371","","","","","","1.046","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150943","7.4444","0.0005","8.6287","0.0006","12.8065","0.0008","71.202","0.003","87.399","0.003","83.872","0.003","774.25","0.09","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H10 Cl N3 O3 -","- C18 H10 Cl N3 O3 -","- C36 H20 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.041","0.038","","","0.0917","0.0936","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150944","7.2738","0.0008","9.1406","0.0009","12.8097","0.0014","72.904","0.004","87.391","0.004","83.669","0.004","809","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H9 Cl2 N3 O3 -","- C18 H9 Cl2 N3 O3 -","- C36 H18 Cl4 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0333","0.0282","","","0.0691","0.0727","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150945","13.2556","0.0006","6.9193","0.0003","22.4721","0.001","90","","95.608","0.002","90","","2051.26","0.16","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N3 O4 -","- C21 H15 Cl2 N3 O4 -","- C84 H60 Cl8 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.036","0.0349","","","0.0784","0.0791","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150946","11.4743","0.0011","10.6042","0.0012","13.097","0.0014","90","","98.668","0.005","90","","1575.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl N3 O3 -","- C18 H10 Cl N3 O3 -","- C72 H40 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0408","0.0371","","","0.0873","0.0895","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150947","8.5421","0.0006","26.3062","0.0018","8.6602","0.0006","90","","111.132","0.003","90","","1815.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C80 H60 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0496","0.0394","","","0.0916","0.0967","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150948","7.1149","0.0011","18.63","0.003","13.388","0.002","90","","98.387","0.006","90","","1755.6","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl N3 O4 -","- C19 H12 Cl N3 O4 -","- C76 H48 Cl4 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0887","0.0682","","","0.1876","0.2032","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150949","14.127","0.001","11.91","0.002","7.618","0.002","90","","90","","90","","1281.7","0.4","198","2","198","2","","","","","","","synthesis","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Forke, Ronny; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur","Organic & Biomolecular Chemistry","2008","6","14","2481","2483","10.1039/b805451g","","x-ray","0.71073","MoKα","","0.0829","0.0464","","","0.094","0.1111","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150950","12.061","0.001","22.545","0.001","9.161","0.001","90","","107.45","0.01","90","","2376.4","0.4","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O5 S -","- C28 H20 N2 O5 S -","- C112 H80 N8 O20 S4 -","4","1","","Forke, Ronny; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur","Organic & Biomolecular Chemistry","2008","6","14","2481","2483","10.1039/b805451g","","x-ray","0.71073","MoKα","","0.1021","0.0524","","","0.1031","0.1213","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150951","13.312","0.003","8.618","0.0017","19.427","0.004","90","","103.393","0.005","90","","2168.1","0.8","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O3 -","- C28 H21 N O3 -","- C112 H84 N4 O12 -","4","1","","Joannesse, Caroline; Simal, Carmen; Concellón, Carmen; Thomson, Jennifer E.; Campbell, Craig D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Amidine catalysed O- to C-carboxyl transfer of heterocyclic carbonate derivatives","Organic & Biomolecular Chemistry","2008","6","16","2900","2907","10.1039/b805850d","","","0.71073","MoKα","","0.0909","0.0585","","","0.1332","0.1537","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150952","6.6493","0.0013","10.852","0.002","14.037","0.003","87.214","0.003","85.458","0.003","75.19","0.003","975.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C44 H44 N4 O8 S2 -","2","1","","Price Mortimer, Anne J.; Pang, Pui Shan; Aliev, Abil E.; Tocher, Derek A.; Porter, Michael J.","Concise synthesis of bicyclic aminals and their evaluation as precursors to the sarain core","Organic & Biomolecular Chemistry","2008","6","16","2941","2951","10.1039/b806031b","","","0.71073","MoKα","","0.043","0.0392","","","0.1028","0.1059","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150953","16.022","0.005","16.416","0.005","32.819","0.01","90","","101.164","0.005","90","","8469","5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B F2 I2 N2 O2 -","- C19 H23 B F2 I2 N2 O2 -","- C304 H368 B16 F32 I32 N32 O32 -","16","4","","Maeda, Hiromitsu; Haketa, Yohei","Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems","Organic & Biomolecular Chemistry","2008","6","17","3091","3095","10.1039/b806161k","","","0.71073","MoKα","","0.0751","0.0658","","","0.1524","0.1608","","","","","","1.253","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150954","10.962","0.007","11.536","0.006","12.261","0.006","77.123","0.017","75.75","0.02","62.248","0.019","1319.3","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 B F2 N2 O2 -","- C31 H33 B F2 N2 O2 -","- C62 H66 B2 F4 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei","Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems","Organic & Biomolecular Chemistry","2008","6","17","3091","3095","10.1039/b806161k","","","0.71075","MoKα","","0.1034","0.0537","","","0.1485","0.1746","","","","","","0.977","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150955","9.563","0.001","9.483","0.001","18.527","0.003","90","","101.93","0.01","90","","1643.8","0.4","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br3 P S3 -","- C12 H6 Br3 P S3 -","- C48 H24 Br12 P4 S12 -","4","1","","Leriche, Philippe; Aillerie, David; Roquet, Sophie; Allain, Magali; Cravino, Antonio; Frère, Pierre; Roncali, Jean","3D-conjugated systems based on oligothiophenes and phosphorus nodes","Organic & Biomolecular Chemistry","2008","6","17","3202","3207","10.1039/b806169f","","x-ray","0.71073","MoKα","","","0.0404","","","","0.096","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150956","9.8214","0.0009","9.4798","0.0008","18.488","0.002","90","","102.87","0.01","90","","1678.1","0.3","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br3 O P S3 -","- C12 H6 Br3 O P S3 -","- C48 H24 Br12 O4 P4 S12 -","4","1","","Leriche, Philippe; Aillerie, David; Roquet, Sophie; Allain, Magali; Cravino, Antonio; Frère, Pierre; Roncali, Jean","3D-conjugated systems based on oligothiophenes and phosphorus nodes","Organic & Biomolecular Chemistry","2008","6","17","3202","3207","10.1039/b806169f","","","0.71073","MoKα","","","0.0538","","","","0.1546","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150957","7.2451","0.0007","7.3525","0.0007","9.3666","0.0009","90","","93.255","0.002","90","","498.15","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones","Organic & Biomolecular Chemistry","2008","6","14","2488","2492","10.1039/b806243a","","","0.71073","MoKα","","0.0429","0.0394","","","0.0988","0.1017","","","","","","1.105","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150958","8.03","0.002","10.027","0.002","22.837","0.005","90","","90","","90","","1838.8","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 N O2 Si -","- C13 H20 Cl3 N O2 Si -","- C52 H80 Cl12 N4 O8 Si4 -","4","1","","Pattenden, Gerald; Rescourio, Gwenaëlla","A new synthetic approach to (+)-lactacystin based on radical cyclisation of enantiopure α-ethynyl substituted serine derivatives to 4-methylenepyrrolidinones","Organic & Biomolecular Chemistry","2008","6","18","3428","3438","10.1039/b806681g","","","0.71073","MoKα","","0.0703","0.0373","","","0.0447","0.0488","","","","","","0.77","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150959","7.8582","0.0005","10.1699","0.0007","11.6933","0.0008","101.767","0.001","103.314","0.001","98.322","0.001","872.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C40 H46 N2 O6 S2 -","2","1","","Chau, Chi-Min; Liu, Kuan-Miao","Diels–Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.0708","0.0479","","","0.1231","0.1329","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150960","9.6137","0.0006","12.345","0.0008","15.2962","0.0009","90","","106.767","0.001","90","","1738.19","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Chau, Chi-Min; Liu, Kuan-Miao","Diels–Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.087","0.0576","","","0.1323","0.146","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150961","16.537","0.003","12.716","0.002","16.984","0.003","90","","90","","90","","3571.5","1.1","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","2","","Chau, Chi-Min; Liu, Kuan-Miao","Diels–Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.1826","0.1268","","","0.2733","0.3135","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150962","9.8195","0.0001","25.2307","0.0003","11.4069","0.0002","90","","112.646","0.0005","90","","2608.2","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O5 -","- C32 H27 N3 O5 -","- C128 H108 N12 O20 -","4","1","","Groenendaal, Bas; Ruijter, Eelco; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Generation of molecular diversity using a complexity-generating MCR-platform towards triazinane diones","Organic & Biomolecular Chemistry","2008","6","17","3158","3165","10.1039/b807138a","","","0.71073","MoKα","","0.0716","0.0464","","","0.1247","0.1416","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150963","9.0489","0.0003","9.1351","0.0003","14.2792","0.0005","96.789","0.002","103.99","0.002","99.109","0.002","1115.71","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H71 N2 O3 S3 -","- C45 H71 N2 O3 S3 -","- C45 H71 N2 O3 S3 -","1","0.5","","Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole","Organic & Biomolecular Chemistry","2008","6","14","2484","2487","10.1039/b807255h","","","1.54178","CuKα","","0.0861","0.0798","","","0.1757","0.1783","","","","","","1.25","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150964","5.7658","0.0009","12.225","0.0015","13.2296","0.0015","79.379","0.007","81.877","0.009","88.968","0.009","907.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H50 N2 -","- C46 H50 N2 -","- C46 H50 N2 -","1","0.5","","Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole","Organic & Biomolecular Chemistry","2008","6","14","2484","2487","10.1039/b807255h","","","1.54178","CuKα","","0.0824","0.0577","","","0.1384","0.1523","","","","","","1.024","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150965","11","0.006","12.348","0.006","9.398","0.007","90","","103.58","0.02","90","","1240.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle","Organic & Biomolecular Chemistry","2008","6","17","3118","3126","10.1039/b807417h","","","0.71075","MoKα","","0.1291","0.0697","","","0.1113","0.129","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150966","12.94","0.005","9.252","0.005","20.599","0.011","90","","90","","90","","2466","2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle","Organic & Biomolecular Chemistry","2008","6","17","3118","3126","10.1039/b807417h","","","0.71075","MoKα","","0.1008","0.0579","","","0.1136","0.1276","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150967","14.495","0.003","15.945","0.004","17.142","0.004","87.527","0.006","68.186","0.004","81.798","0.006","3640.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N9 O9 S5 -","- C27 H35 N9 O9 S5 -","- C108 H140 N36 O36 S20 -","4","2","","Duke, Rebecca M.; O'Brien, John E.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Colorimetric sensing of anions in aqueous solution using a charge neutral, cleft-like, amidothiourea receptor: tilting the balance between hydrogen bonding and deprotonation in anion recognition","Organic & Biomolecular Chemistry","2008","6","22","4089","4092","10.1039/b807579d","","","0.7107","MoKα","","0.067","0.0623","","","0.1495","0.1534","","","","","","1.063","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150968","7.9717","0.0001","20.6854","0.0003","11.1804","0.0002","90","","101.143","0.0007","90","","1808.87","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O3 S -","- C25 H16 O3 S -","- C100 H64 O12 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","x-ray","0.71073","MoKα","","0.0483","0.0396","","","0.1011","0.1084","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150969","19.3719","0.0008","11.51","0.0005","16.4409","0.0006","90","","99.926","0.002","90","","3611","0.3","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C200 H128 O16 S8 -","8","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0936","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150970","11.1939","0.0005","14.0344","0.0004","11.7187","0.0005","90","","101.498","0.002","90","","1804.06","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C100 H64 O8 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.1094","0.0671","","","0.1124","0.1255","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150971","11.3454","0.0002","13.4896","0.0002","11.5736","0.0003","90","","96.365","0.001","90","","1760.36","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C100 H64 O8 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.0389","0.0364","","","0.0926","0.0943","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150972","10.805","0.004","12.994","0.005","7.924","0.003","90","","110.696","0.006","90","","1040.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-nitro-benzyl)-cyclopentane-1, 3-dione (7i)","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Ramachary, Dhevalapally B.; Kishor, Mamillapalli","Direct amino acid-catalyzed cascade biomimetic reductive alkylations: application to the asymmetric synthesis of Hajos–Parrish ketone analogues","Organic & Biomolecular Chemistry","2008","6","22","4176","4187","10.1039/B807999d","","","0.71073","MoKα","","0.0696","0.0422","","","0.1027","0.1157","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150973","9.319","0.003","6.15","0.0017","15.347","0.004","90","","90.088","0.005","90","","879.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0663","0.0518","","","0.1093","0.1198","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150974","10.9057","0.0009","6.1084","0.0005","14.6448","0.0012","90","","102.431","0.001","90","","952.71","0.14","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0559","0.0453","","","0.1058","0.1123","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150975","18.2494","0.0014","6.5375","0.0005","17.7953","0.0013","90","","99.532","0.001","90","","2093.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C104 H108 N4 O8 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.094","0.0674","","","0.1367","0.1486","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150976","7.76","0.001","10.508","0.001","15.461","0.001","90","","90","","90","","1260.7","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene","","- C14 H19 Br -","- C14 H19 Br -","- C56 H76 Br4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0201","0.017","","","0.0402","0.0413","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150977","6.0434","0.0007","13.3512","0.0015","22.597","0.002","90","","90","","90","","1823.3","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-trimethylsilylethynyl-1,1,4,4-tetramethyl-1,2,3,4- tetrahydronaphthalene","","- C19 H28 Si -","- C19 H28 Si -","- C76 H112 Si4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0431","0.0349","","","0.0772","0.0813","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150978","8.3245","0.0007","14.6772","0.0012","10.6166","0.0009","90","","102.35","0.01","90","","1267.12","0.19","120","2","120","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","6-Ethynyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene","","- C16 H20 -","- C16 H20 -","- C64 H80 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0621","0.0497","","","0.1214","0.1287","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150979","8.3105","0.001","10.699","0.0013","15.0376","0.0019","90","","99.67","0.01","90","","1318.1","0.3","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-iodo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene","","- C14 H19 I -","- C14 H19 I -","- C56 H76 I4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0255","0.0209","","","0.0496","0.0511","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150980","8.0253","0.0004","8.1167","0.0003","15.0326","0.0007","90","0.01","84.5","0.01","79.19","0.01","957.24","0.08","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2- ylethynyl)benzoic acid methyl ester","","- C24 H26 O2 -","- C24 H26 O2 -","- C48 H52 O4 -","2","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","1.54178","CuKα","","0.0481","0.0458","","","0.1266","0.1287","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150981","14.2333","0.0016","5.9012","0.0006","23.004","0.002","90","","90.534","0.003","90","","1932.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2- ylethynyl)benzoic acid methyl ester","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0651","0.0436","","","0.099","0.1077","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150982","8.5833","0.0017","10.109","0.002","10.778","0.002","106.89","0.03","92.62","0.03","108.79","0.03","837.1","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C36 H28 F6 N2 O8 S2 -","2","1","","Niu, Hao-Tao; Su, Dongdong; Jiang, Xueliang; Yang, Wenzhi; Yin, Zhenming; He, Jiaqi; Cheng, Jin-Pei","A simple yet highly selective colorimetric sensor for cyanide anion in an aqueous environment","Organic & Biomolecular Chemistry","2008","6","17","3038","3040","10.1039/b808589g","","","0.71073","MoKα","","0.045","0.0359","","","0.1042","0.1081","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150983","8.5309","0.0004","11.6667","0.0006","20.2195","0.0011","90","","100.9","0.004","90","","1976.09","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C84 H100 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.036","0.0326","","","0.0809","0.0835","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150984","9.7846","0.0005","20.8046","0.0011","9.7963","0.0005","90","","109.656","0.004","90","","1877.98","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl N O5 S -","- C16 H21 Cl N O5 S -","- C64 H84 Cl4 N4 O20 S4 -","4","1","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.0611","0.0575","","","0.1897","0.1955","","","","","","1.032","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150985","10.6519","0.0002","11.7291","0.0002","14.7538","0.0003","74.598","0.001","82.568","0.001","64.379","0.001","1602.14","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","2","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.0721","0.0531","","","0.1411","0.1589","","","","","","1.039","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150986","9.6771","0.0012","8.3153","0.0012","12.6634","0.0017","90","","103.075","0.007","90","","992.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","0.71069","MoKα","","0.0469","0.043","","","0.0917","0.095","","","","","","1.149","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150987","7.7495","0.0007","10.1805","0.0009","13.3793","0.0012","93.494","0.002","91.931","0.002","109.458","0.002","991.77","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Jiang, Xuefeng; Kong, Wangqing; Chen, Jie; Ma, Shengming","Intermolecular sequential [4 + 2]-cycloaddition–aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3606","3610","10.1039/b808767a","","","0.71073","MoKα","","0.0693","0.0525","","","0.1429","0.1539","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150988","11.33","0.01","22","0.019","9.42","0.008","90","","98.108","0.015","90","","2325","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 O5 P -","- C27 H23 O5 P -","- C108 H92 O20 P4 -","4","1","","Jiang, Xuefeng; Kong, Wangqing; Chen, Jie; Ma, Shengming","Intermolecular sequential [4 + 2]-cycloaddition–aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3606","3610","10.1039/b808767a","","","0.71073","MoKα","","0.0804","0.056","","","0.1453","0.158","","","","","","0.948","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150989","25.808","0.002","19.667","0.002","25.792","0.002","90","","93.206","0.007","90","","13071","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 N8 O13 -","- C72 H80 N8 O13 -","- C576 H640 N64 O104 -","8","2","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.2012","0.0476","","","0.0663","0.0915","","","","","","0.562","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150990","14.9282","0.0013","18.9297","0.0017","19.2836","0.0016","61.351","0.006","86.758","0.007","71.553","0.007","4506.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H106 N10 O8 -","- C89 H106 N10 O8 -","- C178 H212 N20 O16 -","2","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.1361","0.0992","","","0.286","0.3104","","","","","","1.187","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150991","29.728","0.0013","16.135","0.0005","20.0431","0.0009","90","","107.696","0.003","90","","9159","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C95 H130 N8 O13 -","- C95 H130 N8 O13 -","- C380 H520 N32 O52 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.1171","0.0873","","","0.2404","0.2593","","","","","","1.015","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150992","24.5125","0.0002","9.8211","0.0001","30.9595","0.0004","90","","106.71","0.0005","90","","7138.47","0.13","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 Cl6.67 N0.67 O4.67 -","- C17.5 H18 Cl6.66667 N0.666667 O4.66667 -","- C210 H216 Cl80 N8 O56 -","12","1.5","","Aciro, Caroline; Claridge, Timothy D. W.; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Ammonium-directed dihydroxylation of 3-aminocyclohex-1-enes: development of a metal-free dihydroxylation protocol","Organic & Biomolecular Chemistry","2008","6","20","3751","3761","10.1039/b808811j","","","0.71073","MoKα","","0.1129","0.0918","","0.1107","0.0951","0.0951","","","","","","1.0849","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150993","10.8392","0.0001","28.0222","0.0003","12.2118","0.0001","90","","110.557","0.0005","90","","3473","0.06","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C160 H200 N8 O16 -","8","2","","Aciro, Caroline; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Ammonium-directed dihydroxylation: metal-free synthesis of the diastereoisomers of 3-aminocyclohexane-1,2-diol","Organic & Biomolecular Chemistry","2008","6","20","3762","3770","10.1039/b808812h","","","0.71073","MoKα","","0.085","0.0453","","0.0861","0.0459","0.0426","","","","","","1.1211","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150994","7.6397","0.0009","10.614","0.001","10.778","0.001","83.827","0.008","80.863","0.009","79.643","0.009","846","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O5 S -","- C16 H19 N O5 S -","- C32 H38 N2 O10 S2 -","2","1","","Horino, Yoshikazu; Takata, Yasushi; Hashimoto, Ken; Kuroda, Shigeyasu; Kimura, Masanari; Tamaru, Yoshinao","Gold-catalyzed intermolecular addition of alcohols toward the allenic bond of 4-vinylidene-2-oxazolidinones","Organic & Biomolecular Chemistry","2008","6","22","4105","4107","10.1039/b808921c","","","0.7107","MoKα","","","0.0502","","","","0.1437","","","","","","1.894","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150995","13.838","0.011","6.873","0.006","22.068","0.019","90","","96.71","0.015","90","","2084","3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[3'-azido-4'-phenylazetidine-2'-one-1'-yl]ethane","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C80 H72 N32 O8 -","4","1","","Vatmurge, Namdev S.; Hazra, Braja G.; Pore, Vandana S.; Shirazi, Fazal; Deshpande, Mukund V.; Kadreppa, Sreenath; Chattopadhyay, Samit; Gonnade, Rajesh G.","Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-β-lactam","Organic & Biomolecular Chemistry","2008","6","20","3823","3830","10.1039/B809221d","","","0.71073","MoKα","","0.0699","0.0541","","","0.1327","0.1433","","","","","","1.068","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150996","13.196","0.008","5.751","0.004","13.632","0.008","90","","109.453","0.009","90","","975.5","1.1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3'-azido-4'-phenylazetidine-2'-one-1'-yl]-2- [3""-azido-4""-phenylazetidine-2""-one-1""-yl]ethane","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C40 H36 N16 O4 -","2","0.5","","Vatmurge, Namdev S.; Hazra, Braja G.; Pore, Vandana S.; Shirazi, Fazal; Deshpande, Mukund V.; Kadreppa, Sreenath; Chattopadhyay, Samit; Gonnade, Rajesh G.","Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-β-lactam","Organic & Biomolecular Chemistry","2008","6","20","3823","3830","10.1039/B809221d","","","0.71073","MoKα","","0.0399","0.0359","","","0.0896","0.093","","","","","","1.07","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150997","6.088","0.0012","14.543","0.003","9.779","0.002","90","","90.63","0.03","90","","865.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C40 H42 Cl2 N4 O2 -","2","1","","Kang, Tai-Ran; Xie, Jian-Wu; Du, Wei; Feng, Xin; Chen, Ying-Chun","Stereoselective desymmetrisation of prochiral α,α-dicyanoalkenes via domino Michael–Michael addition reactions","Organic & Biomolecular Chemistry","2008","6","15","2673","2675","10.1039/b809308c","","","0.71073","MoKα","","0.0332","0.0294","","","0.0737","0.0753","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150998","8.3859","0.0013","10.982","0.0014","11.3351","0.0016","109.105","0.011","95.714","0.012","93.578","0.012","976.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","1-((1-Methoxycyclohexyl)peroxy)cyclododecyl hydroperoxide","1-[(1-Methoxycyclohexyl)peroxy]cyclododecyl hydroperoxide","","- C19 H36 O5 -","- C19 H36 O5 -","- C38 H72 O10 -","2","1","","Terent'ev, Alexander O.; Platonov, Maxim M.; Krylov, Igor B.; Chernyshev, Vladimir V.; Nikishin, Gennady I.","Synthesis of 1-hydroperoxy-1′-alkoxyperoxides by the iodine-catalyzed reactions of geminal bishydroperoxides with acetals or enol ethers","Organic & Biomolecular Chemistry","2008","6","23","4435","4441","10.1039/b809661a","","x-ray","1.54184","CuKα","","0.1259","0.0518","","","0.1215","0.1959","","","","","","0.936","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150999","16.4885","0.0003","26.3581","0.0006","23.3178","0.0005","90","","109.279","0.001","90","","9565.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H129 Cl2 N9 O19 Zn -","- C88 H127 Cl2 N9 O19 Zn -","- C352 H508 Cl8 N36 O76 Zn4 -","4","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.0874","0.0608","","","0.1782","0.1922","","","","","","1.109","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7151000","16.0388","0.0006","16.3548","0.0007","20.0055","0.0009","75.968","0.002","78.527","0.002","88.231","0.002","4988.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Cl2 N10 O16 Zn -","- C82 H102 Cl2 N10 O16 Zn -","- C164 H204 Cl4 N20 O32 Zn2 -","2","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.1435","0.0741","","","0.1927","0.2158","","","","","","0.869","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151001","19.874","0.003","25.382","0.004","23.188","0.003","90","","114.988","0.006","90","","10602","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H96 Cl2 N10 O14 Zn -","- C79 H96 Cl2 N10 O14 Zn -","- C316 H384 Cl8 N40 O56 Zn4 -","4","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.191","0.1406","","","0.3437","0.3715","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151002","15.488","0.003","8.544","0.0017","10.372","0.002","90","","108.95","0.03","90","","1298.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl O5 S -","- C11 H11 Cl O5 S -","- C44 H44 Cl4 O20 S4 -","4","1","","Rahn, Thomas; Dang, T. H. Tam; Spannenberg, Anke; Fischer, Christine; Langer, Peter","Regioselective synthesis of functionalized 3,5-diketoesters and 2,4-diketosulfones by uncatalyzed condensation of 1-methoxy-1,3-bis(trimethylsilyloxy)-1,3-butadienes with α,β-unsaturated acid chlorides and sulfonyl chlorides","Organic & Biomolecular Chemistry","2008","6","18","3366","3370","10.1039/b810151e","","","0.71073","MoKα","","0.087","0.0442","","","0.0979","0.1065","","","","","","0.852","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151003","13.076","0.004","4.98","0.002","21.362","0.011","90","","103.18","0.03","90","","1354.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0752","0.0741","","","0.2037","0.2061","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151004","15.561","0.006","6.152","0.002","11.984","0.006","90","","122.08","0.03","90","","972.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0324","0.0321","","","0.0844","0.0848","","","","","","1.141","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151005","13.2254","0.0013","11.3377","0.0012","14.1441","0.0015","90","","117.874","0.002","90","","1874.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N5 O2 -","- C21 H15 N5 O2 -","- C84 H60 N20 O8 -","4","1","","Guan, Xiao-Yang; Shi, Min","A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3616","3620","10.1039/b810299f","","","0.71073","MoKα","","0.0884","0.0561","","","0.1011","0.1131","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151006","23.2536","0.001","23.2536","0.001","17.77","0.0011","90","","90","","120","","8321.4","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H16 N5 O2.33 -","- C21 H16 N5 O2.33333 -","- C378 H288 N90 O42 -","18","1","","Guan, Xiao-Yang; Shi, Min","A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3616","3620","10.1039/b810299f","","","0.71073","MoKα","","0.0744","0.0514","","","0.133","0.1418","","","","","","1.02","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151007","10.4911","0.0005","12.2289","0.0006","16.1319","0.0007","90","","90","","90","","2069.64","0.17","110","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Farran, Daniel; Parrot, Isabelle; Toupet, Loïc; Martinez, Jean; Dewynter, Georges","Transannular rearrangement of activated 2,5-diketopiperazines: a key route to original scaffolds","Organic & Biomolecular Chemistry","2008","6","21","3989","3996","10.1039/b810352f","","","0.71069","MoKα","","0.0351","0.0267","","","0.0697","0.0728","","","","","","0.724","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151008","17.454","0.003","9.6156","0.0013","16.561","0.002","90","","109.463","0.004","90","","2620.6","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O S2 Si -","- C25 H30 N4 O S2 Si -","- C100 H120 N16 O4 S8 Si4 -","4","1","","Kirkman, Joseph K.; Lindell, Stephen D.; Maechling, Simon; Slawin, Alexandra M. Z.; Moody, Christopher J.","Synthesis of 3-(carboxyarylalkyl)imidazo[2,1-f][1,2,4]triazines as potential inhibitors of AMP deaminase","Organic & Biomolecular Chemistry","2008","6","23","4452","4459","10.1039/b810850a","","","0.71073","MoKα","","0.0313","0.0292","","","0.074","0.0757","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151009","8.342","0.001","5.8896","0.0007","26.712","0.003","90","","90.634","0.002","90","","1312.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Linder, Jörg; Blake, Alexander J.; Moody, Christopher J.","Total synthesis of siphonazole and its O-methyl derivative, structurally unusual bis-oxazole natural products","Organic & Biomolecular Chemistry","2008","6","21","3908","3916","10.1039/b810855b","","","0.71073","MoKα","","0.0492","0.0429","","","0.117","0.122","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151010","14.3877","0.0007","16.3592","0.0007","21.4727","0.001","90","","90","","90","","5054.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H61 F6 N3 O P2 Pd -","- C55 H61 F6 N3 O P2 Pd -","- C220 H244 F24 N12 O4 P8 Pd4 -","4","1","","Maxwell, Aoife C.; Franc, Celine; Pouchain, Laurent; Müller-Bunz, Helge; Guiry, Patrick J.","Electronically varied quinazolinaps for asymmetric catalysis","Organic & Biomolecular Chemistry","2008","6","20","3848","3853","10.1039/b810936b","","","0.71073","MoKα","","0.0367","0.0333","","","0.0761","0.0777","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151011","5.835","0.003","8.91","0.004","12.876","0.005","69.902","0.006","78.323","0.007","80.933","0.007","612.8","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br N O3 -","- C15 H6 Br N O3 -","- C30 H12 Br2 N2 O6 -","2","1","","Jones, Paul B.; Brinson, Robert G.; Sarma, Saurav J.; Elkazaz, Salwa","Observation of heavy atom effects in the development of water soluble caged 4-hydroxy-trans-2-nonenal","Organic & Biomolecular Chemistry","2008","6","22","4204","4211","10.1039/B810954k","","","0.71073","MoKα","","0.0602","0.0428","","","0.0924","0.0999","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151012","9.8353","0.0007","17.4256","0.0013","31.038","0.002","90","","90","","90","","5319.5","0.6","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C208 H272 N16 O48 S16 -","16","4","","Coote, Susannah C.; O'Brien, Peter; Whitwood, Adrian C.","Stereoselective aziridination of cyclic allylic alcohols using chloramine-T","Organic & Biomolecular Chemistry","2008","6","23","4299","4314","10.1039/b811137e","","","0.71073","MoKα","","0.0645","0.06","","","0.1625","0.1647","","","","","","1.141","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151013","12.94","0.003","12.042","0.002","11.54","0.002","90","","93.062","0.004","90","","1795.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","1","","Coote, Susannah C.; O'Brien, Peter; Whitwood, Adrian C.","Stereoselective aziridination of cyclic allylic alcohols using chloramine-T","Organic & Biomolecular Chemistry","2008","6","23","4299","4314","10.1039/b811137e","","","0.71073","MoKα","","0.0576","0.044","","","0.116","0.1258","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151014","9.2925","0.0001","12.9908","0.0002","28.111","0.0004","90","","90","","90","","3393.48","0.08","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O4 -","- C36 H51 N O4 -","- C144 H204 N4 O16 -","4","1","","Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi","New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet–Hauser rearrangements","Organic & Biomolecular Chemistry","2008","6","20","3673","3680","10.1039/b811162f","","","0.7107","MoKα","","","0.0572","","","","0.1235","","","","","","1.225","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151015","7.2351","0.0007","25.532","0.002","12.0626","0.0012","90","","104.539","0.002","90","","2156.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O8 -","- C23 H23 N O8 -","- C92 H92 N4 O32 -","4","1","","Clark, J. Stephen; Northall, John M.; Marlin, Frédéric; Nay, Bastien; Wilson, Claire; Blake, Alexander J.; Waring, Michael J.","Synthetic studies on the cornexistins: synthesis of (±)-5-epi-hydroxycornexistin","Organic & Biomolecular Chemistry","2008","6","21","4012","4025","10.1039/b811245b","","","0.71073","MoKα","","0.0525","0.0406","","","0.113","0.1205","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151016","10.3476","0.0007","12.7195","0.0009","11.1244","0.0008","90","","114.035","0.002","90","","1337.21","0.16","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Clark, J. Stephen; Northall, John M.; Marlin, Frédéric; Nay, Bastien; Wilson, Claire; Blake, Alexander J.; Waring, Michael J.","Synthetic studies on the cornexistins: synthesis of (±)-5-epi-hydroxycornexistin","Organic & Biomolecular Chemistry","2008","6","21","4012","4025","10.1039/b811245b","","","0.71073","MoKα","","0.0497","0.0435","","","0.118","0.122","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151017","8.1515","0.0008","10.0702","0.001","10.3368","0.001","71.999","0.002","80.438","0.002","71.163","0.002","761.69","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C44 H36 O6 -","2","1","","Moulton, Benjamin E.; Dong, Hao; O'Brien, Ciara T.; Duckett, Simon B.; Lin, Zhenyang; Fairlamb, Ian J. S.","A natural light induced regioselective 6π-electrocyclisation–oxidative aromatisation reaction: experimental and theoretical insights","Organic & Biomolecular Chemistry","2008","6","24","4523","4532","10.1039/b811284c","","","0.71073","MoKα","","0.0624","0.0457","","","0.1169","0.1269","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151018","8.0227","0.0003","8.8488","0.0004","31.8469","0.0013","90","","90","","90","","2260.85","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N O8 P -","- C22 H32 N O8 P -","- C88 H128 N4 O32 P4 -","4","1","","Liu, Xue-Wei; Le, Thanh Nguyen; Lu, Yunpeng; Xiao, Yongjun; Ma, Jimei; Li, Xingwei","An efficient synthesis of chiral phosphinyl oxide pyrrolidines and their application to asymmetric direct aldol reactions","Organic & Biomolecular Chemistry","2008","6","21","3997","4003","10.1039/b811581h","","","0.71073","MoKα","","0.0477","0.0442","","","0.1291","0.1384","","","","","","1.127","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151019","7.8768","0.0002","11.7807","0.0003","14.3679","0.0003","90","","94.8778","0.0011","90","","1328.43","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.0715","0.0511","","0.1347","0.127","0.1347","","","","","","0.9993","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151020","6.9787","0.0002","14.2583","0.0004","9.8765","0.0003","90","","107.733","0.0014","90","","936.06","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.0548","0.0389","","0.0935","0.0879","0.0935","","","","","","1","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151021","6.5272","0.001","12.559","0.002","10.5571","0.0019","90","","93.26","0.006","90","","864","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.064","0.049","","0.1239","0.1133","0.1234","","","","","","1","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151022","10.974","0.005","14.927","0.006","9.978","0.004","90","","95.267","0.006","90","","1627.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Ye, Shengqing; Ding, Qiuping; Wang, Zhiyong; Zhou, Haibo; Wu, Jie","Tandem addition-cyclization reactions of 2-alkynylbenzenamines with isocyanates catalyzed by PdCl2","Organic & Biomolecular Chemistry","2008","6","23","4406","4412","10.1039/B812015c","","","0.71073","MoKα","","0.083","0.0505","","","0.1155","0.1226","","","","","","0.805","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151023","13.123","0.0009","7.1019","0.0005","14.4491","0.001","90","","90.077","0.004","90","","1346.63","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","13-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)-5,12,13- triazaindeno[1,2-b]anthracene","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.1021","0.0441","","","0.0808","0.0966","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151024","6.48","0.0001","10.5889","0.0002","41.9162","0.0009","90","","90","","90","","2876.12","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-6-(2',3',4',6'-tetra-O-acetyl-β-D-manno- pyranosyl)indolo[2,3-b]quinoxaline","","- C30 H31 N3 O9 -","- C30 H31 N3 O9 -","- C120 H124 N12 O36 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.0551","0.0484","","","0.1196","0.1243","","","","","","1.105","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151025","6.3601","0.0002","11.2214","0.0005","35.0578","0.0015","90","","90","","90","","2502.05","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)indolo[2,3-b]quinoxaline","","- C26 H25 N3 O7 -","- C26 H25 N3 O7 -","- C104 H100 N12 O28 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.051","0.0359","","","0.0832","0.0904","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151026","5.7683","0.0002","9.0468","0.0003","43.5087","0.0017","90","","90","","90","","2270.49","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Paixão, Márcio W.; Nielsen, Martin; Jacobsen, Christian Borch; Jørgensen, Karl Anker","Organocatalytic asymmetric ring-opening of aziridines","Organic & Biomolecular Chemistry","2008","6","19","3467","3470","10.1039/B812369a","","x-ray","0.71073","MoKα","","0.0604","0.0514","","","0.1252","0.1296","","","","","","1.068","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151027","6.589","0.003","7.55","0.003","9.691","0.004","97.609","0.006","103.781","0.006","106","0.006","439.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C24 H20 O4 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones","Organic & Biomolecular Chemistry","2008","6","22","4188","4197","10.1039/b812551a","","","0.71073","MoKα","","0.0476","0.0399","","","0.1052","0.1102","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151028","12.869","0.002","7.4613","0.0014","23.807","0.004","90","","90","","90","","2285.9","0.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones","Organic & Biomolecular Chemistry","2008","6","22","4188","4197","10.1039/b812551a","","","0.71073","MoKα","","0.0821","0.0639","","","0.141","0.1522","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151029","10.828","0.004","11.7","0.004","15.348","0.005","75.228","0.007","74.785","0.008","73.428","0.007","1763.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H40 Ge O2 -","- C45 H40 Ge O2 -","- C90 H80 Ge2 O4 -","2","1","","El Kettani, Sakina Ech-Cherif; Lazraq, Mohamed; Ouhsaine, Fatima; Gornitzka, Heinz; Ranaivonjatovo, Henri; Escudié, Jean","An unexpected epoxidation of benzil derivatives in their reaction with a germene","Organic & Biomolecular Chemistry","2008","6","21","4064","4066","10.1039/b812694c","","","0.71073","MoKα","","0.117","0.0558","","","0.093","0.1095","","","","","","0.903","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151030","7.042","0.003","18.432","0.002","15.5238","0.0013","90","","90","","90","","2015","0.9","193","2","193","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Cyclopropane-1,2-dicarboxylic acid diethyl ester","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Riss, Patrick Johannes; Rösch, Frank","A convenient chemo-enzymatic synthesis and 18F-labelling of both enantiomers of trans-1-toluenesulfonyloxymethyl-2-fluoromethyl-cyclopropane","Organic & Biomolecular Chemistry","2008","6","24","4567","4574","10.1039/b812777h","","","1.54178","CuKα","","0.0665","0.0641","","","0.1708","0.1755","","","","","","1.048","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151031","11.0147","0.0003","10.932","0.0003","14.7938","0.0004","90","","97.4949","0.0015","90","","1766.14","0.08","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O6 S -","- C37 H41 N O6 S -","- C74 H82 N2 O12 S2 -","2","1","","Shibata, Takanori; Otomo, Mayumi; Tahara, Yu-ki; Endo, Kohei","Highly diastereo- and enantioselective construction of both central and axial chiralities by Rh-catalyzed [2 + 2 + 2] cycloaddition","Organic & Biomolecular Chemistry","2008","6","23","4296","4298","10.1039/b814014f","","","1.54187","CuKα","","","0.0432","","","","0.1059","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151032","11.8532","0.0003","7.1565","0.0002","16.0428","0.0004","90","","102.421","0.001","90","","1329.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.","Directed epoxidation of cyclohexa-1,4-dienes–stereoselective formation of up to six contiguous stereogenic centres","Organic & Biomolecular Chemistry","2008","6","23","4426","4434","10.1039/b814131m","","","0.71073","MoKα","","0.1026","0.0752","","","0.1923","0.213","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151033","6.308","0.0002","13.542","0.0005","17.59","0.0007","73.293","0.002","81.756","0.002","79.108","0.002","1406.88","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","2","","Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.","Directed epoxidation of cyclohexa-1,4-dienes–stereoselective formation of up to six contiguous stereogenic centres","Organic & Biomolecular Chemistry","2008","6","23","4426","4434","10.1039/b814131m","","","0.71073","MoKα","","0.1888","0.1401","","","0.3427","0.3752","","","","","","1.26","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151034","8.8975","0.0005","12.1847","0.0007","24.8677","0.0013","90","","90","","90","","2696","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O -","- C18 H18 O -","- C144 H144 O8 -","8","1","","Iqbal, Mazhar; Duffy, Patricia; Evans, Paul; Cloughley, George; Allan, Bernard; Lledó, Agustí; Verdaguer, Xavier; Riera, Antoni","The conjugate addition–Peterson olefination reaction for the preparation of cross-conjugated cyclopentenone, PPAR-γ ligands","Organic & Biomolecular Chemistry","2008","6","24","4649","4661","10.1039/b814619e","","","0.71073","MoKα","","0.0535","0.0477","","","0.1286","0.1339","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151035","6.008","0.0011","17.848","0.002","30.989","0.004","90","","90","","90","","3323","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N O8 S -","- C36 H47 N O8 S -","- C144 H188 N4 O32 S4 -","4","1","","Chen, Qiao-Hong; Ganesh, Thota; Brodie, Peggy; Slebodnick, Carla; Jiang, Yi; Banerjee, Abhijit; Bane, Susan; Snyder, James P.; Kingston, David G. I.","Design, synthesis and biological evaluation of bridged epothilone D analogues","Organic & Biomolecular Chemistry","2008","6","24","4542","4552","10.1039/b814823f","","x-ray","1.54178","CuKα","","0.1304","0.0602","","","0.1229","0.1492","","","","","","0.804","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151036","34.899","0.007","9.3865","0.0019","7.5","0.0015","90","","90","","90","","2456.8","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C108 H184 O8 -","4","1","","Martin, René; Däbritz, Frank; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis of the hormonally active (25S)-Δ7-dafachronic acid, (25S)-Δ4-dafachronic acid, (25S)-dafachronic acid, and (25S)-cholestenoic acid","Organic & Biomolecular Chemistry","2008","6","23","4293","4295","10.1039/b815064h","","","0.71073","MoKα","","0.0706","0.0468","","","0.1065","0.1172","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151037","5.9247","0.0002","7.2417","0.0003","17.4475","0.0009","90","","90","","90","","748.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-2,5-dideoxy-2,5-imino-d-glucitol","","- C6 H13 N O4 -","- C6 H13 N O4 -","- C24 H52 N4 O16 -","4","1","","Donohoe, Timothy J.; Cheeseman, Matthew D.; O'Riordan, Timothy J. C.; Kershaw, Jessica A.","Synthesis of (+)-DGDP and (−)-7-epialexine","Organic & Biomolecular Chemistry","2008","6","21","3896","3898","10.1039/b815332a","","","0.71073","MoKα","","0.0548","0.0382","","0.0978","0.0911","0.0978","","","","","","0.9153","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7204761","19.764","0.009","8.877","0.004","15.763","0.007","90","","117.617","0.007","90","","2450.5","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Wang, Zhong-Xia; Qin, Hua-Li","Solventless syntheses of pyrazole derivativesElectronic supplementary information (ESI) available: analytical and spectroscopic data. See http://www.rsc.org/suppdata/gc/b3/b312833d/","Green Chemistry","2004","6","2","90","","10.1039/b312833d","","","0.71073","MoKα","","0.0844","0.0518","","","0.1276","0.1482","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204766","7.198","0.005","12.957","0.005","18.653","0.007","90","","111.69","0.03","90","","1616.5","1.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.058","","","","0.059","","","","","","1.49","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204767","10.596","0.005","9.766","0.004","35.351","0.011","90","","94.96","0.02","90","","3644","3","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","1.54184","CuKα","","","0.098","","","","0.159","","","","","","2.26","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204768","6.89","0.003","13.261","0.002","18.879","0.007","90","","102.58","0.02","90","","1683.5","1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.08","","","","0.116","","","","","","1.82","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204777","8.7846","0.0001","12.3272","0.0002","13.4594","0.0002","70.08","0.001","76.153","0.001","83.096","0.001","1329.29","0.03","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)","","- C35 H26 F2 O3 -","- C35 H26 F2 O3 -","- C70 H52 F4 O6 -","2","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0674","0.0481","","","0.1281","0.1395","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204778","9.0486","0.0001","19.3364","0.0002","14.4056","0.0002","90","","95.365","0.001","90","","2509.47","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)","","- C31 H20 Cl2 F2 O2 -","- C31 H20 Cl2 F2 O2 -","- C124 H80 Cl8 F8 O8 -","4","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0741","0.0429","","","0.0967","0.1086","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204779","12.8638","0.0002","15.8214","0.0002","16.1334","0.0002","88.14","0.001","88.037","0.001","84.747","0.001","3266.4","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C180 H108 F12 O12 -","6","3","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0922","0.069","","","0.1949","0.2069","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204786","9.486","0.005","11.381","0.005","23.904","0.005","94.779","0.005","101.094","0.005","91.342","0.005","2521.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Ag3 Cr3 N9 O27 -","- C42 H27 Ag3 Cr3 N9 O27 -","- C84 H54 Ag6 Cr6 N18 O54 -","2","1","","Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve","Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine)","CrystEngComm","2004","6","4","11","18","10.1039/b314686c","","","0.71069","MoKα","","0.0672","0.046","","","0.1147","0.1267","","","","","","1.102","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204790","9.4389","0.0011","18.206","0.002","19.514","0.002","90","","94.385","0.002","90","","3343.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Bi F15 N2 O S3 -","- C32 H16 Bi F15 N2 O S3 -","- C128 H64 Bi4 F60 N8 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0536","0.0293","","","0.0533","0.0584","","","","","","0.945","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204791","8.968","0.002","16.616","0.004","24.746","0.007","90","","97.14","0.02","90","","3658.9","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Bi F15 N3 O S3 -","- C33 H19 Bi F15 N3 O S3 -","- C132 H76 Bi4 F60 N12 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.1091","0.0462","","","0.073","0.0873","","","","","","0.937","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204792","9.0368","0.0012","13.0086","0.0016","18.53","0.002","76.225","0.011","82.026","0.013","72.273","0.013","2010","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Bi F15 N2 O2 S3 -","- C38 H26 Bi F15 N2 O2 S3 -","- C76 H52 Bi2 F30 N4 O4 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.048","0.0328","","","0.0795","0.0869","","","","","","1.091","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204793","7.5887","0.0018","14.181","0.006","17.931","0.005","73.275","0.013","78.66","0.02","75.19","0.02","1770.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0894","0.057","","","0.1313","0.1461","","","","","","1.002","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204794","9.034","0.004","11.372","0.007","17.894","0.006","75.17","0.03","84.39","0.03","86.23","0.04","1767","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0649","0.0374","","","0.0677","0.0742","","","","","","0.933","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204795","7.0051","0.0005","8.6187","0.0007","18.5866","0.0015","101.186","0.002","97.114","0.002","101.401","0.002","1063.66","0.14","203","2","203","2","","","","","","","","4","P -1","-P 1","2","2-(4-(dimethylamino)phenylazo)benzoic acid, 3,5- dinitrobenzoic acid","2-[4-(dimethylamino)phenylazo]benzoic acid, 3,5-dinitrobenzoic acid","","- C22 H19 N5 O8 -","- C22 H19 N5 O8 -","- C44 H38 N10 O16 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0835","0.0471","","","0.1117","0.1278","","","","","","0.891","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204796","5.9827","0.0004","9.1713","0.0008","12.1893","0.0008","84.149","0.005","77.407","0.006","74.927","0.005","629.54","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","3-nitrobenzoic acid, isonicotinamide","3-nitrobenzoic acid, isonicotinamide","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1089","0.0464","","","0.091","0.1036","","","","","","0.787","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204797","22.725","0.013","5.231","0.003","20.785","0.012","90","","95.402","0.011","90","","2460","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","isonicotinamide, 4-fluorobenzoic acid","isonicotinamide, 4-fluorobenzoic acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1392","0.0604","","","0.1269","0.1624","","","","","","0.868","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204798","8.0266","0.0014","8.5974","0.0016","12.514","0.002","84.563","0.003","89.934","0.004","75.345","0.003","831.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C32 H32 N8 O14 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1191","0.0519","","","0.1092","0.1297","","","","","","0.81","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204799","7.1538","0.0013","7.9978","0.0015","14.315","0.003","91.111","0.003","91.483","0.004","111.582","0.003","761","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C32 H32 N4 O12 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0808","0.0412","","","0.0999","0.115","","","","","","0.859","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204800","7.6155","0.0007","7.698","0.0009","21.587","0.002","95.59","0.008","94.719","0.007","90.268","0.008","1255.1","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","pyrazinecarboxamide, 4-nitrobenzamide","pyrazinecarboxamide, 4-nitrobenzamide","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","2","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.2052","0.0569","","","0.1127","0.1514","","","","","","0.777","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204801","27.15","0.02","14.785","0.012","31.326","0.017","90","","91.02","0.05","90","","12573","15","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 O4 -","- C78 H80 O4 -","- C624 H640 O32 -","8","1","","Makha, Mohamed; Raston, Colin L.; Skelton, Brian W.; White, Allan H.","A more benign approach to the synthesis of calixarenes","Green Chemistry","2004","6","3","158","","10.1039/b315204a","","","0.71073","MoKα","","0.144","0.072","","0.098","","0.144","","","1.34","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204809","10.375","0.002","12.404","0.003","22.1","0.004","90","","90.46","0.03","90","","2844","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0755","0.0492","","","0.1189","0.1333","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204820","7.3564","0.0002","6.2253","0.0002","18.6804","0.0006","90","","97.946","0.001","90","","847.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","octafluoronaphthalene : biphenyl, 1:1 complex","","- C22 H10 F8 -","- C22 H10 F8 -","- C44 H20 F16 -","2","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.0539","0.0399","","","0.1046","0.114","","","","","","1.004","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204821","6.446","0.001","7.142","0.001","9.751","0.002","74.46","0.02","71.53","0.02","85.97","0.02","410.17","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","octafluoronaphthalene : biphenylene, 1:1 complex","","- C22 H8 F8 -","- C22 H8 F8 -","- C22 H8 F8 -","1","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.068","0.0488","","","0.1241","0.1394","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204822","15.37","0.002","8.7969","0.0012","20.914","0.003","90","","99.398","0.002","90","","2789.8","0.7","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C52 H54 Cu F12 N4 O P2 S4 -","- C52 H54 Cu F12 N4 O P2 S4 -","- C104 H108 Cu2 F24 N8 O2 P4 S8 -","2","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0708","0.0519","","","0.1737","0.1846","","","","","","1.054","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204823","8.8849","0.0007","10.8557","0.0009","13.312","0.0011","91.398","0.002","103.569","0.002","92.897","0.002","1245.66","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0425","0.0317","","","0.0764","0.0823","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204824","14.3809","0.0006","19.8714","0.0008","18.1471","0.0008","90","","103.481","0.002","90","","5043","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C192 H176 Cu4 F48 N16 P8 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0678","0.0407","","","0.0917","0.1079","","","","","","1.029","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204827","13.5552","0.0019","5.6845","0.0008","15.508","0.002","90","","91.335","0.002","90","","1194.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C48 H48 Cl4 N4 O4 S4 -","4","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0416","0.0325","","","0.0873","0.0939","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204831","17.485","0.003","9.5925","0.0014","19.611","0.003","90","","99.219","0.003","90","","3246.8","0.9","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodium(ii) benzoate-pyrazine including O2","","","- C32 H24 N2 O8.98 Rh2 -","- C32 H24 N2 O8.996 Rh2 -","- C128 H96 N8 O35.984 Rh8 -","4","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo","Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest","CrystEngComm","2004","6","9","39","","10.1039/b316963d","","","0.71073","MoKα","","0.1041","0.0633","","","0.1394","0.1564","","","","","","0.991","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204832","10.891","0.003","13.357","0.003","14.642","0.003","84.15","0.02","74.79","0.02","77.36","0.02","2003.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(phenanthroline)phenylphosphonic acid copper(ii) phenylphosphonate","bis(phenanthroline)phenylphosphonic acid copper(II) phenylphosphonate","","- C36 H42 Cu N4 O13 P2 -","- C36 H35 Cu N4 O13 P2 -","- C72 H70 Cu2 N8 O26 P4 -","2","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0646","0.0581","","","0.1521","0.1594","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204833","33.209","0.006","10.097","0.002","27.247","0.002","90","","119.38","0.01","90","","7961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(phenanthroline)benzylphosphonic acid copper(ii) benzylphosphonate","bis(phenanthroline)benzylphosphonic acid copper(II) benzylphosphonate","","- C38 H34 Cu N4 O11.5 P2 -","- C38 H37 Cu N4 O10 P2 -","- C304 H296 Cu8 N32 O80 P16 -","8","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0982","0.0616","","","0.1684","0.1948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204845","7.5802","0.0006","7.9849","0.0007","12.4508","0.0011","89.026","0.002","83.51","0.002","79.833","0.002","737.02","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridinium) tetrachlorocobaltate(ii)","Bis(pyridinium) tetrachlorocobaltate(II)","","- C10 H12 Cl4 Co N2 -","- C10 H12 Cl4 Co N2 -","- C20 H24 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0522","0.0333","","","0.0686","0.0724","","","","","","0.895","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204847","14.332","0.005","15.179","0.005","16.165","0.005","79.406","0.005","69.285","0.006","74.921","0.006","3159.6","1.8","78","2","78","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 N5 Ni O10 -","- C70 H78 N5 Ni O10 -","- C140 H156 N10 Ni2 O20 -","2","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.1111","0.0694","","","0.188","0.2173","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204848","10.7999","0.0006","11.3654","0.0006","11.8496","0.0006","116.093","0.001","92.31","0.001","106.55","0.001","1228.74","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 B2 Cu F8 N10 O5 -","- C13 H26 B2 Cu F8 N10 O5 -","- C26 H52 B4 Cu2 F16 N20 O10 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.0626","0.0563","","","0.1562","0.1622","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204849","7.182","0.002","12.055","0.003","16.888","0.004","95.19","0.005","99.573","0.004","101.294","0.005","1402.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CuLm).2(BF4).2(Cytosine)","","","- C16 H28 B2 Cu F8 N14 O4 -","- C16 H28 B2 Cu F8 N14 O4 -","- C32 H56 B4 Cu2 F16 N28 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.1275","0.0564","","","0.1008","0.12","","","","","","0.861","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204850","3.9004","0.0008","8.7632","0.0018","16.508","0.003","105.33","0.03","90.09","0.03","100.97","0.03","533.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","dichloroanthracene","dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C28 H16 Cl4 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","1.5418","CuKα","","0.0786","0.0636","","","0.1557","0.1713","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204851","3.8629","0.0009","8.743","0.002","16.515","0.004","105.203","0.004","90.179","0.005","100.495","0.005","528.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","dichloroanthracene:dibromoanthracene","dichloroanthracene:dibromoanthracene","","- C14 H8 Br0.5 Cl1.5 -","- C14 H8 Br0.4972 Cl1.5028 -","- C28 H16 Br0.9944 Cl3.0056 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","0.71073","MoKα","","0.0418","0.0318","","","0.0796","0.0834","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204853","8.6385","0.0002","11.1276","0.0003","12.4701","0.0003","95.955","0.002","97.735","0.002","106.98","0.002","1122.99","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C54 H30 Cl6 O6 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.0778","0.0466","","","0.1307","0.147","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204855","7.5132","0.0003","8.3575","0.0004","13.9439","0.0006","106.836","0.002","95.865","0.002","94.138","0.002","828.87","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Ag N3 O4 -","- C18 H16 Ag N3 O4 -","- C36 H32 Ag2 N6 O8 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.034","0.0307","","","0.0821","0.0838","","","","","","1.104","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204856","9.0541","0.0002","9.3447","0.0003","9.7248","0.0003","81.711","0.001","70.102","0.001","64.45","0.001","698.01","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(3-pyridilmethylidene)cyclohexan","2,6-bis(3-pyridilmethylidene)cyclohexan","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.0582","0.0485","","","0.1322","0.1378","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204860","7.96","0.005","10.122","0.005","12.782","0.005","67.234","0.005","84.407","0.005","80.782","0.005","936.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N4 O8 S -","- C14 H22 Cu N4 O8 S -","- C28 H44 Cu2 N8 O16 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71069","MoKα","","0.0371","0.0314","","0.0915","0.0884","","","","1.042","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204861","23.548","0.011","18.524","0.008","16.469","0.008","90","","102.008","0.017","90","","7027","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cu N8 O11.5 S -","- C28 H28 Cu N8 O11.5 S -","- C224 H224 Cu8 N64 O92 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71073","MoKα","","0.187","0.0884","","0.2967","0.23","","","","1.034","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204864","8.3393","0.0002","9.4759","0.0002","11.9105","0.0003","102.8","0.0009","90.1883","0.001","104.761","0.0011","885.74","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-chloro-1,2,3,5-dithiadiazolyl","","- C Cl N2 S2 -","- C Cl N2 S2 -","- C8 Cl8 N16 S16 -","8","4","","Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M.","Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN","CrystEngComm","2004","6","17","79","","10.1039/b403430a","","","0.71073","MoKα","","0.0278","0.0258","","","0.0669","0.0681","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204865","8.3198","0.0017","15.4","0.003","15.635","0.003","90","","99.4","0.03","90","","1976.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMesH)(Cl).H2O","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.0572","0.0415","","","0.1095","0.1165","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204866","8.3676","0.0017","11.315","0.002","13.246","0.003","70.27","0.03","80.1","0.03","76.55","0.03","1142.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(IMesH)(Cl).Acetone","","","- C24 H31 Cl N2 O -","- C24 H31 Cl N2 O -","- C48 H62 Cl2 N4 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.1181","0.0842","","","0.2048","0.231","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204868","12.646","0.003","7.404","0.001","7.297","0.001","90","","120.18","0.03","90","","590.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Co O6 -","- C3 H2 Co O6 -","- C12 H8 Co4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71069","MoKα","","0.0336","0.0257","","","0.0759","0.0789","","","","","","1.165","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204869","12.5748","0.0005","7.3781","0.0006","7.2274","0.0004","90","","120.391","0.006","90","","578.41","0.07","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ni O6 -","- C3 H2 Ni O6 -","- C12 H8 Ni4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71073","MoKα","","0.071","0.0421","","","0.086","0.0921","","","","","","1.095","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204871","7.552","0.0015","16.296","0.003","16.174","0.003","90","","98.71","0.03","90","","1967.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(4-nitrophenyl)diphenylmethane","bis(4-nitrophenyl)diphenylmethane","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1102","0.0642","","","0.153","0.1817","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204874","9.782","0.001","11.907","0.002","20.242","0.003","90","","98.13","0.01","90","","2334","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrakis-(4-cyanophenyl)methane","tetrakis-(4-cyanophenyl)methane","","- C29 H16 N4 -","- C29 H16 N4 -","- C116 H64 N16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1517","0.0664","","","0.0857","0.1332","","","","","","1.35","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204882","5.9008","0.0005","10.0652","0.0008","11.6577","0.0009","90","","102.919","0.003","90","","674.86","0.09","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","4-ethynyltoluene","4-ethynyltoluene","","- C9 H8 -","- C9 H8 -","- C36 H32 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.073","0.0465","","","0.0827","0.0875","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204883","8.6911","0.0005","13.1827","0.0007","13.275","0.0007","90","","93.128","0.001","90","","1518.68","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.032","0.0251","","","0.0646","0.0669","","","","","","0.995","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204884","12.009","0.0006","8.5819","0.0004","13.9542","0.0009","90","","103.305","0.002","90","","1399.52","0.13","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0985","0.0494","","","0.0939","0.1094","","","","","","0.999","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204885","11.81","0.002","8.2394","0.0012","16.073","0.002","90","","104.282","0.003","90","","1515.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl2 Cu N5 O2 -","- C10 H17 Cl2 Cu N5 O2 -","- C40 H68 Cl8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0575","0.0371","","","0.0837","0.0896","","","","","","0.936","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204886","11.4766","0.0011","8.7847","0.0008","13.5378","0.0012","90","","109.089","0.001","90","","1289.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl2 Cu N5 O -","- C9 H13 Cl2 Cu N5 O -","- C36 H52 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0512","0.0389","","","0.0969","0.1021","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204887","11.9013","0.0007","11.9578","0.0007","13.8143","0.0008","112.245","0.001","112.224","0.001","91.301","0.001","1652.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Ag B F4 N2 O2 -","- C36 H30 Ag B F4 N2 O2 -","- C72 H60 Ag2 B2 F8 N4 O4 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0465","0.0294","","","0.0749","0.0824","","","","","","0.942","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204888","12.4855","0.0007","8.6349","0.0005","15.6533","0.0009","90","","98.286","0.001","90","","1669.98","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ag F6 N2 O2 P -","- C36 H30 Ag F6 N2 O2 P -","- C72 H60 Ag2 F12 N4 O4 P2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0391","0.0305","","","0.0822","0.0904","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7209384","7.552","","4.722","","8.423","","90","","90","","90","","300.369","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au In","","- Au Eu In -","- Au Eu In -","- Au4 Eu4 In4 -","4","0.5","","Poettgen, R.","Metamagnetism in Eu Pd In and Eu Au In","Journal of Materials Chemistry","1996","6","","63","67","10.1039/jm9960600063","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209397","4.195","","4.195","","3.972","","90","","90","","120","","60.535","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","U Au Si","","- Au Si U -","- Au Si U -","- Au Si U -","1","0.0833333","","Troc, R.; Poettgen, R.; Hoffmann, R.D.; Kaczorowski, D.; Tran, V.H.","Crystal structure and physical properties of U Au Si and U Au2","Journal of Materials Chemistry","1996","6","","429","434","10.1039/jm9960600429","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216186","20.2438","0.0003","14.308","0.0002","19.1313","0.0003","90","","105.688","0.001","90","","5334.92","0.14","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 O4 S -","- C32 H24 Cl2 O4 S -","- C256 H192 Cl16 O32 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0385","0.0321","","","0.0802","0.083","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216187","33.3796","0.001","10.1112","0.0002","14.2492","0.0004","90","","91.117","0.001","90","","4808.3","0.2","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Cl2 O2 S -","- C31 H19 Cl2 O2 S -","- C248 H152 Cl16 O16 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0492","0.0357","","","0.0819","0.0866","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216189","6.622","0.0001","7.7322","0.0002","9.8897","0.0004","80.5127","0.001","88.4579","0.0011","70.5583","0.0018","470.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0344","0.0287","","","0.064","0.0653","","","","","","1.038","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216191","13.3175","0.0003","12.4223","0.0004","13.3087","0.0003","90","","118.383","0.0016","90","","1937.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cd2 N17 -","- C12 H10 Cd2 N17 -","- C48 H40 Cd8 N68 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0465","0.0243","","","0.053","0.057","","","","","","0.914","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216192","12.9875","0.0003","12.8242","0.0003","13.6191","0.0003","90","","116.947","0.0016","90","","2022.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd2 N18 -","- C12 H7 Cd2 N18 -","- C48 H28 Cd8 N72 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.061","0.0377","","","0.0794","0.0828","","","","","","1.281","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216193","12.733","0.003","12.911","0.003","13.92","0.003","90","","115.79","0.03","90","","2060.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 N16 -","- C14 H14 Cd2 N16 -","- C56 H56 Cd8 N64 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0685","0.0331","","","0.0605","0.0657","","","","","","0.86","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""
"7222706","6.5463","","6.5463","","6.5463","","90","","90","","90","","280.535","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Eu Pt Ge","","- Eu Ge Pt -","- Eu Ge Pt -","- Eu4 Ge4 Pt4 -","4","0.333333","","Poettgen, R.; Muellmann, R.; Kremer, R.K.; Mosel, B.D.; Schnelle, W.","Magnetic, electrical and 151Eu Moessbauer properties of Eu Pt Ge","Journal of Materials Chemistry","1996","6","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223536","14.6547","0.0005","34.5808","0.0013","35.0669","0.0011","90","","90","","90","","17770.9","1.1","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C84 H89.5 Fe2 N20 O8.75 -","- C84 H89.5 Fe2 N20 O8.75 -","- C672 H716 Fe16 N160 O70 -","8","1","","Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase","Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.","RSC Advances","2015","6","1","575","585","10.1039/C5RA16732A","","x-ray","0.71073","MoKα","","0.1107","0.0875","","","0.242","0.2694","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223607","7.3305","0.0002","10.614","0.0003","11.3269","0.0003","67.359","0.001","80.119","0.001","81.565","0.001","798.16","0.04","290","2","290","2","","","","","","","","4","P -1","-P 1","2","5-carboxyethyl-4-[4ethoxy(oxo)acetyl]-1-phenyl-1H-pyrazol","5-carboxyethyl-4-[4ethoxy(oxo)acetyl]-1-phenyl-1H-pyrazol","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","da Silva, Michael J. V.; Silva, Raí G. M.; Melo, Ulisses Z.; Gonçalves, Davana S.; Back, Davi F.; Moura, Sidnei; Pontes, Rodrigo M.; Basso, Ernani A.; Gauze, Gisele F.; Rosa, Fernanda A.","Theoretical and experimental investigation of the polyeletrophilic β-enamino diketone: straightforward and highly regioselective synthesis of 1,4,5-trisubstituted pyrazoles and pyrazolo[3,4-d]pyridazinones","RSC Adv.","2016","6","1","290","","10.1039/C5RA12968K","","","0.71073","MoKα","","0.0558","0.0462","","","0.128","0.1378","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223620","11.126","0.002","11.135","0.002","11.58","0.002","64.26","0.03","64.9","0.03","89.98","0.03","1140.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N2 O5 S -","- C26 H23 N2 O5 S -","- C52 H46 N4 O10 S2 -","2","1","","Zhou, Qing-Fa; Ge, Fei-Fei; Chen, Qing-Qing; Lu, Tao","Construction of pyrazolo[5,1-a]isoindol-8(3aH)-one derivatives via phosphine-catalyzed cyclization of electron-deficient alkynes and N-amino substituted phthalimide","RSC Adv.","2016","6","2","1395","","10.1039/C5RA17267E","","","0.71073","MoKα","","0.1526","0.0695","","","0.1456","0.1852","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223771","23.671","0.005","8.6038","0.0019","9.53","0.002","90","","99.236","0.002","90","","1915.7","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium amino(ethanesulfonate)anthracene dihydrate","","- C18 H22 K N O5 S -","- C18 H22 K N O5 S -","- C72 H88 K4 N4 O20 S4 -","4","1","","Cardona, Maria A.; Mallia, Carl J.; Baisch, Ulrich; Magri, David C.","Water-soluble amino(ethanesulfonate) and [bis(ethanesulfonate)] anthracenes as fluorescent photoinduced electron transfer (PET) pH indicators and Fe3+chemosensors","RSC Adv.","2016","6","5","3783","","10.1039/C5RA22341E","","x-ray","0.6889","","","0.0655","0.0451","","","0.1091","0.1194","","","","","","1.017","","","","has coordinates","173651","2020-10-21","18:00:00",""
"7223890","10.3979","0.0002","13.6246","0.0003","13.7301","0.0002","90","","130.745","0.001","90","","1473.65","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 N O5 P -","- C11 H23 N O5 P -","- C44 H92 N4 O20 P4 -","4","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Butscher, Teddy; Franconi, Jean-Michel; Kabitaev, Kuanysh; Marque, Sylvain R. A.; Mellet, Philippe; Parzy, Elodie; Santelli, Maurice; Thiaudière, Eric; Viel, Stéphane","β-Phosphorus hyperfine coupling constant in nitroxides: 5. Solvent effect","RSC Adv.","2016","6","7","5653","","10.1039/C5RA23521A","","x-ray","0.71073","MoKα","","0.0764","0.0519","","","0.1431","0.1718","","","","","","1.082","","","","has coordinates","174503","2020-10-21","18:00:00",""
"7223929","8.3338","0.0008","29.562","0.003","9.0991","0.0008","90","","114.598","0.003","90","","2038.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Br4 N2 -","- C44 H54 Br4 N2 -","- C88 H108 Br8 N4 -","2","0.5","","Chen, Shiyan; Ni, Xin-Long","Development of an AIE based fluorescent probe for the detection of nitrate anions in aqueous solution over a wide pH range","RSC Adv.","2016","6","9","6997","","10.1039/C5RA23369K","","","0.71073","MoKα","","0.1215","0.0869","","","0.272","0.3042","","","","","","1.075","","","","has coordinates","174567","2020-10-21","18:00:00",""
"7223944","14.3594","0.0003","22.1059","0.0005","8.8264","0.0002","90","","104.71","0.002","90","","2709.91","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 N4 O2 S3 -","- C26 H28 Cl2 N4 O2 S3 -","- C104 H112 Cl8 N16 O8 S12 -","4","1","","Wiles, Alan A.; Fitzpatrick, Brian; McDonald, Niall A.; Westwater, Mary Margaret; Long, De-Liang; Ebenhoch, Bernd; Rotello, Vincent M.; Samuel, Ifor D. W.; Cooke, Graeme","Synthesis and properties of pteridine-2,4-dione-functionalised oligothiophenes","RSC Adv.","2016","6","10","7999","","10.1039/C5RA22402K","","","0.71073","MoKα","","0.0801","0.0576","","","0.1556","0.1775","","","","","","1.038","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7223945","14.7336","0.0008","18.2084","0.0011","9.4057","0.0006","90","","94.715","0.003","90","","2514.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N4 O2 S3 -","- C25 H25 Br N4 O2 S3 -","- C100 H100 Br4 N16 O8 S12 -","4","1","","Wiles, Alan A.; Fitzpatrick, Brian; McDonald, Niall A.; Westwater, Mary Margaret; Long, De-Liang; Ebenhoch, Bernd; Rotello, Vincent M.; Samuel, Ifor D. W.; Cooke, Graeme","Synthesis and properties of pteridine-2,4-dione-functionalised oligothiophenes","RSC Adv.","2016","6","10","7999","","10.1039/C5RA22402K","","","0.71073","MoKα","","0.054","0.0396","","","0.0974","0.1037","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223946","5.837","0.0004","9.2077","0.0006","25.6068","0.0016","90","","90","","90","","1376.25","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br N O5 -","- C12 H14 Br N O5 -","- C48 H56 Br4 N4 O20 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0428","0.0342","","","0.0814","0.0961","","","","","","1.117","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223947","7.6652","0.0006","7.8614","0.0006","20.6346","0.0015","90","","90","","90","","1243.42","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0755","0.0605","","","0.1176","0.1231","","","","","","1.109","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223948","11.659","0.006","16.166","0.017","29.13","0.03","84.62","0.09","84.17","0.05","70.44","0.07","5136","8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N4 Se2 Sn -","- C20 H32 N4 Se2 Sn -","- C160 H256 N32 Se16 Sn8 -","8","4","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.4531","0.1132","","","0.2392","0.3834","","","","","","0.906","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7223949","14.8","0.004","7.749","0.0007","21.526","0.004","90","","95.42","0.017","90","","2457.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N4 Se2 Sn -","- C20 H32 N4 Se2 Sn -","- C80 H128 N16 Se8 Sn4 -","4","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.0636","0.0342","","","0.0823","0.0922","","","","","","1.044","","","","has coordinates","174676","2020-10-21","18:00:00",""
"7223950","9.192","0.003","12.655","0.003","15.99","0.0018","90","","92.278","0.019","90","","1858.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl N2 Se Sn -","- C14 H25 Cl N2 Se Sn -","- C56 H100 Cl4 N8 Se4 Sn4 -","4","1","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B.","Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films","RSC Adv.","2016","6","10","8367","","10.1039/C5RA20578F","","","0.71069","MoKα","","0.1745","0.0482","","","0.1019","0.1484","","","","","","1.016","","","","has coordinates","174676","2020-10-21","18:00:00",""
"7223991","22.8914","0.0008","5.7531","0.0002","23.238","0.0007","90","","113.464","0.004","90","","2807.3","0.18","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,6-bis(pyridine-4-ylethynyl)pyrazine","","","- C18 H10 N4 -","- C18 H10 N4 -","- C144 H80 N32 -","8","1","","Bhowmick, Sourav; Chakraborty, Sourav; Marri, Subba R.; Behera, J. N.; Das, Neeladri","Pyrazine-based donor tectons: synthesis, self-assembly and characterization","RSC Adv.","2016","6","11","8992","","10.1039/C5RA21484J","","","0.71073","MoKα","","0.0626","0.0431","","","0.1097","0.1214","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224159","13.1741","0.0013","20.85","0.003","19.578","0.002","90","","102.558","0.006","90","","5249","1.1","123","","123","","","","","","","","Angelo Lanzillotto","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 N7 O Zn -","- C68 H47 N7 O Zn -","- C272 H188 N28 O4 Zn4 -","4","1","","Lanzilotto, Angelo; Büldt, Laura A.; Schmidt, Hauke C.; Prescimone, Alessandro; Wenger, Oliver S.; Constable, Edwin C.; Housecroft, Catherine E.","Improved light absorbance does not lead to better DSC performance: studies on a ruthenium porphyrin–terpyridine conjugate","RSC Adv.","2016","6","19","15370","","10.1039/C5RA27397H","","","1.54178","CuKα","","0.1059","0.0894","","0.2583","0.2457","0.2583","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224162","21.5619","0.0007","11.3649","0.0004","18.9777","0.0007","90","","93.367","0.003","90","","4642.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C183 H190 N24 O64 S8 -","- C183 H190 N24 O64 S8 -","- C183 H190 N24 O64 S8 -","1","0.125","","Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.","Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide","RSC Adv.","2016","6","19","16087","","10.1039/C5RA24566D","","","0.71073","MoKα","","0.0609","0.0475","","","0.1305","0.1413","","","","","","1.046","","","","has coordinates,has disorder","176290","2020-10-21","18:00:00",""
"7224163","13.1522","0.0007","23.4963","0.0016","11.0242","0.0005","90","","90","","90","","3406.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H40 N4 O8 S2 -","- C33 H40 N4 O8 S2 -","- C132 H160 N16 O32 S8 -","4","1","","Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.","Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide","RSC Adv.","2016","6","19","16087","","10.1039/C5RA24566D","","","0.71073","MoKα","","0.1489","0.0669","","","0.1583","0.1885","","","","","","0.918","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224164","15.2726","0.0007","11.581","0.0005","9.1189","0.0004","90","","95.023","0.001","90","","1606.68","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base – a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0589","0.0415","","","0.1125","0.1425","","","","","","1.117","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224165","7.6313","0.0007","7.8438","0.0007","17.8835","0.0017","81.836","0.003","88.72","0.003","64.742","0.003","957.45","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O9 -","- C20 H19 N3 O9 -","- C40 H38 N6 O18 -","2","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base – a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0587","0.0392","","","0.1034","0.1232","","","","","","0.908","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224166","8.7707","0.0004","20.4025","0.0009","9.1687","0.0004","90","","100.514","0.001","90","","1613.14","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base – a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0456","0.0399","","","0.1273","0.1413","","","","","","0.929","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224167","6.9555","0.0003","9.2797","0.0004","11.0293","0.0005","97.828","0.002","99.815","0.003","100.154","0.002","680.26","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H2 N3 O5 -","- C14 H13 N3 O5 -","- C28 H26 N6 O10 -","2","1","","Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.","The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study","RSC Adv.","2016","6","19","15868","","10.1039/C5RA14951G","","","0.71073","MoKα","","0.0562","0.045","","","0.1393","0.1497","","","","","","1.15","","","","has coordinates","176291","2020-10-21","18:00:00",""
"7224186","8.3522","0.0017","12.682","0.003","11.339","0.002","90","","94.75","0.03","90","","1196.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 Ge2 N8 O S6 V2 -","- C8 H32 Ge2 N8 O S6 V2 -","- C16 H64 Ge4 N16 O2 S12 V4 -","2","0.5","","Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates","RSC Adv.","2016","6","20","16268","","10.1039/C5RA27088J","","","0.71073","MoKα","","0.0618","0.0523","","","0.1048","0.1167","","","","","","1.088","","","","has coordinates","176324","2020-10-21","18:00:00",""
"7224187","38.284","0.005","38.284","0.005","11.17","0.002","90","","90","","120","","14178","4","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C12 H40 Ge2 N8 O2 S6 V2 -","- C12 H34 Ge2 N8 O2 S6 V2 -","- C216 H612 Ge36 N144 O36 S108 V36 -","18","0.5","","Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates","RSC Adv.","2016","6","20","16268","","10.1039/C5RA27088J","","","0.71073","MoKα","","0.0894","0.0876","","","0.1568","0.1577","","","","","","1.11","","","","has coordinates,has disorder","176324","2020-10-21","18:00:00",""
"7224296","8.993","0.0005","11.414","0.0006","11.9331","0.0006","112.083","0.003","94.293","0.004","107.174","0.004","1060.25","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 B2 Ge2 N6 -","- C44 H64 B2 Ge2 N6 -","- C44 H64 B2 Ge2 N6 -","1","0.5","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0398","0.0329","","","0.0732","0.0771","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224297","8.6562","0.0005","10.284","0.0004","12.9948","0.0008","73.067","0.004","86.43","0.005","76.579","0.003","1076.41","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 B N3 -","- C22 H34 B N3 -","- C44 H68 B2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0648","0.05","","","0.1201","0.1354","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224298","20.425","0.0016","8.554","0.0007","19.569","0.002","90","","90.855","0.007","90","","3418.6","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ge N3 Se2 -","- C34 H42 B Ge N3 Se2 -","- C136 H168 B4 Ge4 N12 Se8 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.1294","0.0962","","","0.2036","0.2222","","","","","","1.126","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224299","12.41","0.0012","15.971","0.0005","26.276","0.003","101.799","0.006","95.207","0.008","98.138","0.005","5007.9","0.8","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82 B Ge N5 -","- C48 H68 B Ge N5 -","- C192 H272 B4 Ge4 N20 -","4","2","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0658","0.0449","","","0.102","0.1155","","","","","","1.087","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224300","8.334","0.0005","19.705","0.0018","42.118","0.004","90","","90","","90","","6916.7","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 B Ge N3 Te2 -","- C34 H42 B Ge N3 Te2 -","- C272 H336 B8 Ge8 N24 Te16 -","8","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0517","0.0371","","","0.062","0.0664","","","","","","1.215","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224301","20.0901","0.0014","8.496","0.0004","19.6849","0.0016","90","","91.921","0.006","90","","3358","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ge N3 S2 -","- C34 H42 B Ge N3 S2 -","- C136 H168 B4 Ge4 N12 S8 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0592","0.0366","","","0.0712","0.0832","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224302","8.404","0.0003","10.24","0.0007","17.1711","0.001","99.375","0.006","92.648","0.006","107.632","0.005","1382.27","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 B Ge N3 -","- C28 H42 B Ge N3 -","- C56 H84 B2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0324","0.0263","","","0.0665","0.0722","","","","","","1.119","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224303","14.72","0.0009","8.214","0.0007","21.3591","0.0015","90","","94.762","0.007","90","","2573.6","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Ge I2 N3 -","- C22 H32 B Ge I2 N3 -","- C88 H128 B4 Ge4 I8 N12 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0421","0.0313","","","0.0615","0.0663","","","","","","1.117","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224304","8.404","0.0003","11.041","0.0009","13.8139","0.001","84.933","0.005","80.365","0.004","89.771","0.004","1258.68","0.15","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H35 B Ge I N3 -","- C23 H35 B Ge I N3 -","- C46 H70 B2 Ge2 I2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0367","0.0311","","","0.0767","0.0816","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224305","13.726","0.0007","19.8081","0.0017","14.794","0.0008","90","","117.858","0.004","90","","3556.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 B Ge N3 -","- C40 H50 B Ge N3 -","- C160 H200 B4 Ge4 N12 -","4","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0516","0.0343","","","0.0663","0.075","","","","","","1.127","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224306","8.467","0.0003","9.7781","0.0005","14.5579","0.0009","79.339","0.005","76.99","0.004","79.439","0.004","1141.36","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Cl Ge N3 -","- C22 H33 B Cl Ge N3 -","- C44 H66 B2 Cl2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0459","0.0362","","","0.0828","0.0894","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224307","9.48","0.003","9.529","0.0011","31.902","0.006","86.052","0.012","86.293","0.016","65.709","0.016","2618.4","1.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Br3 Ge N3 -","- C22 H33 B Br3 Ge N3 -","- C88 H132 B4 Br12 Ge4 N12 -","4","2","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.1052","0.086","","","0.1899","0.2011","","","","","","1.281","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224308","8.352","0.0004","10.479","0.0005","13.5181","0.001","95.684","0.005","100.864","0.006","90.338","0.004","1155.83","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 B Br Ge N3 -","- C22 H33 B Br Ge N3 -","- C44 H66 B2 Br2 Ge2 N6 -","2","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0477","0.0306","","","0.0627","0.0703","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224373","14.7272","0.0004","15.6359","0.0004","16.932","0.0005","113.914","0.001","96.98","0.001","95.989","0.002","3486.8","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H174 Na6 Ni4 O42 Si12 -","- C112 H174 Na6 Ni4 O42 Si12 -","- C112 H174 Na6 Ni4 O42 Si12 -","1","0.5","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","1.54178","CuKα","","0.0759","0.0708","","","0.2018","0.2069","","","","","","1.045","","","","has coordinates,has disorder","176857","2020-10-21","18:00:00",""
"7224374","12.919","0.0006","13.675","0.0006","23.8149","0.0011","76.271","0.0011","77.6651","0.0011","74.0613","0.001","3880","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H96 O12 Si12 -","- C60 H96 O12 Si12 -","- C120 H192 O24 Si24 -","2","1","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","0.71073","MoKα","","0.1656","0.0771","","","0.146","0.1851","","","","","","1.011","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224375","24.6412","0.0009","19.7915","0.0007","27.463","0.001","90","","113.73","0.002","90","","12261","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95.6 H119 Cu4 Na4 O29.8 Si12 -","- C95.6 H119 Cu4 Na4 O29.8 Si12 -","- C382.4 H476 Cu16 Na16 O119.2 Si48 -","4","0.5","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","1.54178","CuKα","","0.1159","0.0883","","","0.245","0.2771","","","","","","1.038","","","","has coordinates,has disorder","176857","2020-10-21","18:00:00",""
"7224376","18.511","0.004","19.755","0.004","26.771","0.005","71.01","0.03","88.51","0.03","62.94","0.03","8157","4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C129 H210 O24 Si24 -","- C129 H210 O24 Si24 -","- C258 H420 O48 Si48 -","2","1","","Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M.","Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom","RSC Adv.","2016","6","26","22052","","10.1039/C5RA26414F","","","0.987","synchrotron","","0.0721","0.0519","","","0.146","0.1644","","","","","","1.136","","","","has coordinates","176857","2020-10-21","18:00:00",""
"7224380","11.1634","0.0004","24.517","0.0009","17.6569","0.0006","90","","94.801","0.001","90","","4815.6","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N8 O6 Ti2 -","- C44 H60 N8 O6 Ti2 -","- C176 H240 N32 O24 Ti8 -","4","0.5","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.0538","0.0384","","","0.1006","0.1113","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224381","9.9338","0.0013","11.1209","0.0015","14.56","0.002","106.403","0.006","91.013","0.007","108.188","0.006","1456","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cl4 N8 O6 Zr2 -","- C48 H68 Cl4 N8 O6 Zr2 -","- C48 H68 Cl4 N8 O6 Zr2 -","1","0.5","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.064","0.0483","","","0.1281","0.1496","","","","","","1.111","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224382","9.6702","0.0003","10.9556","0.0003","14.5845","0.0004","108.448","0.001","90.6828","0.0011","101.232","0.001","1433.15","0.07","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","- C46 H62 Cl6 Hf2 N8 O6 -","1","1","","Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies","RSC Adv.","2016","6","26","21706","","10.1039/C5RA26721H","","","0.71073","MoKα","","0.0228","0.0201","","","0.0474","0.049","","","","","","1.054","","","","has coordinates","176860","2020-10-21","18:00:00",""
"7224438","19.1983","0.0008","10.9513","0.0004","22.9245","0.0009","90","","96.2213","0.0016","90","","4791.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl2 O7 -","- C24 H28 Cl2 O7 -","- C192 H224 Cl16 O56 -","8","1","","Xing, Qian; Gan, Li-She; Mou, Xiao-Feng; Wang, Wei; Wang, Chang-Yun; Wei, Mei-Yan; Shao, Chang-Lun","Isolation, resolution and biological evaluation of pestalachlorides E and F containing both point and axial chirality","RSC Adv.","2016","6","27","22653","","10.1039/C6RA00374E","","","1.54178","CuKα","","0.0688","0.0636","","","0.1662","0.1723","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224495","15.909","0.003","14.083","0.002","17.085","0.003","90","","92.674","0.003","90","","3823.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 Cl2 N4 O3 Pd -","- C35 H52 Cl2 N4 O3 Pd -","- C140 H208 Cl8 N16 O12 Pd4 -","4","1","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0505","0.0418","","","0.1325","0.1428","","","","","","1.107","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224496","16.484","0.004","16.074","0.004","21.788","0.006","90","","109.467","0.004","90","","5443","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Cl2 N4 Pd -","- C25 H30 Cl2 N4 Pd -","- C200 H240 Cl16 N32 Pd8 -","8","2","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0712","0.0464","","","0.1399","0.1626","","","","","","1.086","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224497","9.1155","0.0018","13.036","0.003","20.075","0.004","87.103","0.004","89.823","0.004","89.63","0.004","2382.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Cl2 N4 Pd -","- C23 H26 Cl2 N4 Pd -","- C92 H104 Cl8 N16 Pd4 -","4","2","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.0456","0.0321","","","0.089","0.1006","","","","","","1.047","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224498","10.5287","0.0011","12.2427","0.0012","26.839","0.003","90","","94.179","0.002","90","","3450.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl2 N4 Pd -","- C35 H44 Cl2 N4 Pd -","- C140 H176 Cl8 N16 Pd4 -","4","1","","Zhao, Xiao-Yun; Zhou, Quan; Lu, Jian-Mei","Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C‒N coupling of aryl chlorides","RSC Adv.","2016","6","29","24484","","10.1039/C6RA02556K","","","0.71073","MoKα","","0.025","0.0228","","","0.0737","0.0824","","","","","","1.008","","","","has coordinates","177282","2020-10-21","18:00:00",""
"7224545","7.685","0.004","9.476","0.005","10.132","0.005","99.684","0.008","102.043","0.009","94.185","0.008","706.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cu N4 O3 S -","- C10 H15 Cl Cu N4 O3 S -","- C20 H30 Cl2 Cu2 N8 O6 S2 -","2","1","","Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.","Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes","RSC Adv.","2016","6","30","25082","","10.1039/C5RA26071J","","","0.71073","MoKα","","0.0677","0.0465","","","0.1176","0.1288","","","","","","1.023","","","","has coordinates","178017","2020-10-21","18:00:00",""
"7224546","24.526","0.013","10.497","0.006","16.882","0.009","90","","95.056","0.008","90","","4329","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl Cu N5 O4 S -","- C18 H24 Cl Cu N5 O4 S -","- C144 H192 Cl8 Cu8 N40 O32 S8 -","8","1","","Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.","Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes","RSC Adv.","2016","6","30","25082","","10.1039/C5RA26071J","","","0.71073","MoKα","","0.0857","0.0676","","","0.163","0.1734","","","","","","1.047","","","","has coordinates","178017","2020-10-21","18:00:00",""
"7224549","11.6136","0.0006","13.4816","0.0008","16.281","0.0011","89.934","0.005","78.409","0.005","71.845","0.005","2367.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H30 Eu2 N4 O16 -","- C56 H30 Eu2 N4 O16 -","- C112 H60 Eu4 N8 O32 -","2","1","","Liu, Jingjuan; Sun, Wei; Liu, Zhiliang","White-light emitting materials with tunable luminescence based on steady Eu(iii) doping of Tb(iii) metal‒organic frameworks","RSC Adv.","2016","6","31","25689","","10.1039/C6RA01931E","","","1.54178","CuKα","","0.1036","0.0743","","","0.1696","0.1981","","","","","","1.029","","","","has coordinates","178044","2020-10-21","18:00:00",""
"7224639","6.132","0.002","14.536","0.005","19.327","0.007","90","","90","","90","","1722.7","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O S -","- C23 H17 N O S -","- C92 H68 N4 O4 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.1416","0.091","","","0.2135","0.2693","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224640","5.626","0.001","12.886","0.002","24.399","0.005","90","","90","","90","","1768.8","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.0885","0.0627","","","0.1231","0.1418","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224666","11.9822","0.0016","22.5","0.003","25.497","0.003","69.912","0.002","82.904","0.002","86.609","0.002","6405.3","1.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C13 H72 As2 K7 N3 Na10 O115 Sn4 W22 -","- C13 H22 As2 K7 N3 Na10 O115 Sn4 W22 -","- C26 H44 As4 K14 N6 Na20 O230 Sn8 W44 -","2","1","","Ji, Li-Ping; Du, Jing; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Yang, He; Cui, Hong-Juan; Zhu, Zai-Ming","A new boat-like tungstoarsenate functionalized by carboxyethyltin and its catalytic properties","RSC Adv.","2016","6","34","28956","","10.1039/C5RA27781G","","","0.71073","MoKα","","0.087","0.0561","","","0.139","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178866","2020-10-21","18:00:00",""
"7224672","10.0768","0.0006","14.766","0.0009","7.846","0.0005","90","","91.716","0.005","90","","1166.91","0.12","100.3","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Bi Br2 N S2 -","- C5 H10 Bi Br2 N S2 -","- C20 H40 Bi4 Br8 N4 S8 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0581","0.042","","","0.0991","0.1419","","","","","","1.147","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224673","10.218","0.0006","16.3552","0.0009","8.2644","0.0005","90","","100.927","0.006","90","","1356.08","0.14","100.05","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Bi Br N2 S4 -","- C6 H12 Bi Br N2 S4 -","- C24 H48 Bi4 Br4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0499","0.0382","","","0.1032","0.1529","","","","","","1.17","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224674","9.4033","0.0003","11.2321","0.0004","17.6307","0.0006","93.566","0.003","98.144","0.003","96.906","0.003","1824.02","0.11","100.05","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Bi2 I2 N4 S8 -","- C20 H40 Bi2 I2 N4 S8 -","- C40 H80 Bi4 I4 N8 S16 -","2","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0295","0.024","","","0.0647","0.098","","","","","","1.185","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224675","10.2109","0.0005","16.3665","0.0007","8.2545","0.0004","90","","101.026","0.004","90","","1354","0.11","100","0.6","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Bi Br N2 S4 -","- C6 H12 Bi Br N2 S4 -","- C24 H48 Bi4 Br4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0322","0.0271","","","0.0611","0.0637","","","","","","1.032","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224676","11.845","0.005","18.266","0.005","8.659","0.005","90","0.005","106.904","0.005","90","0.005","1792.5","1.4","100.2","0.7","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Bi I N2 S4 -","- C10 H20 Bi I N2 S4 -","- C40 H80 Bi4 I4 N8 S16 -","4","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","0.71073","MoKα","","0.0444","0.034","","","0.0635","0.0674","","","","","","0.993","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224677","23.8005","0.0012","11.1504","0.0006","8.0446","0.0005","90","","92.625","0.005","90","","2132.7","0.2","100.3","0.5","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 Bi I2 N S2 -","- C3 H6 Bi I2 N S2 -","- C24 H48 Bi8 I16 N8 S16 -","8","1","","Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.","Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells","RSC Adv.","2016","6","35","29026","","10.1039/C6RA01181K","","","1.54184","CuKα","","0.0465","0.0457","","","0.1224","0.1233","","","","","","1.13","","","","has coordinates","178868","2020-10-21","18:00:00",""
"7224678","14.7731","0.0011","18.9394","0.0014","8.7562","0.0006","90","","122.551","0.004","90","","2065.1","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd-muc-4bpdh","Cd-MOF 3","","- C20 H20 Cd N4 O5 -","- C20 H20 Cd N4 O5 -","- C80 H80 Cd4 N16 O20 -","4","0.5","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.1542","0.0733","","","0.1225","0.1442","","","","","","1.038","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224679","14.294","0.0005","16.7484","0.0006","22.1104","0.0007","90","","90","","90","","5293.3","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpa","Cd-MOF 1","","- C24 H22 Cd N3 O4 -","- C24 H22 Cd N3 O4 -","- C192 H176 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.064","0.037","","","0.0774","0.0866","","","","","","1.018","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224680","14.094","0.005","17.248","0.005","22.357","0.005","90","0.005","90","0.005","90","0.005","5435","3","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","Cd-muc-bpee","Cd-MOF 2","","- C24 H19 Cd N3 O4 -","- C24 H19 Cd N3 O4 -","- C192 H152 Cd8 N24 O32 -","8","1","","Ugale, Bharat; Nagaraja, C. M.","Construction of 2D interwoven and 3D metal‒organic frameworks (MOFs) of Cd(ii): the effect of ancillary ligands on the structure and the catalytic performance for the Knoevenagel reaction","RSC Adv.","2016","6","34","28854","","10.1039/C6RA01647B","","","0.71073","MoKα","","0.1064","0.0634","","","0.1311","0.1431","","","","","","1.102","","","","has coordinates","178869","2020-10-21","18:00:00",""
"7224681","7.997","0.003","11.806","0.004","17.95","0.005","90","","90","","90","","1694.7","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chiral (trifluoromethyl)dihydrofuranone","(4S,5S)-5-benzoyl-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one","","- C18 H12 Cl F3 O3 -","- C18 H12 Cl F3 O3 -","- C72 H48 Cl4 F12 O12 -","4","1","","He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo","Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones","RSC Adv.","2016","6","34","28960","","10.1039/C6RA03571J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0916","0.1062","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224690","9.43197","0.00015","9.43197","0.00015","6.92605","0.00012","90","","90","","120","","533.606","0.015","300","","300","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ca8.88 F2 La1.12 O24 P5 Si -","- Ca8.884 F2 La1.116 O24 P5 Si -","- Ca8.884 F2 La1.116 O24 P5 Si -","1","0.0833333","","Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei","A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties","RSC Advances","2016","6","0","24577","24583","10.1039/c5ra23348h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.63","1.691","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224691","9.42716","0.00015","9.42716","0.00015","6.92158","0.00012","90","","90","","120","","532.718","0.015","300","","300","","","","","","","","","7","P 63/m","-P 6c","176","","","","- Ca8.98 Dy0.11 F2 La0.92 O24 P5 Si -","- Ca8.9758 Dy0.10242 F2 La0.9212 O24 P5 Si -","- Ca8.9758 Dy0.10242 F2 La0.9212 O24 P5 Si -","1","0.0833333","","Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei","A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties","RSC Advances","2016","6","0","24577","24583","10.1039/c5ra23348h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.11","1.53","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224704","16.5763","0.0014","8.0259","0.0007","15.6946","0.0013","90","","109.896","0.002","90","","1963.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6o","","- C21 H20 Br N3 O2 -","- C21 H20 Br N3 O2 -","- C84 H80 Br4 N12 O8 -","4","1","","Yang, Meng-Ru; Qin, Ya-Juan; Chen, Chen; Zhang, Ya-Liang; Li, Bo-Yan; Liu, Tian-Bao; Gong, Hai-Bin; Wang, Bao-Zhong; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking studies of novel 1-(4,5-dihydro-1H-pyrazol-1-yl)ethanone-containing 1-methylindol derivatives as potential tubulin assembling inhibitors","RSC Adv.","2016","6","36","30412","","10.1039/C5RA28141E","","","0.71073","MoKα","","0.0821","0.0494","","","0.11","0.1265","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224752","12.0002","0.0005","12.0002","0.0005","24.7801","0.0014","93.67","0.003","93.67","0.003","103.706","0.004","3448.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6,6,8,8-tetrahydro-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-4H-chromene-3-carbonitrile","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C144 H136 N24 O32 -","8","4","","Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.","One-pot synthesis of various 2-amino-4H-chromene derivatives using a highly active supported ionic liquid catalyst","RSC Adv.","2016","6","38","32052","","10.1039/C6RA06523F","","","0.71073","MoKα","","0.2065","0.1682","","","0.4376","0.4619","","","","","","1.075","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7224811","12.971","0.003","9.3225","0.0019","17.182","0.003","90","","100.12","0.03","90","","2045.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N3 O0.75 -","- C22 H15 N3 O0.764 -","- C88 H60 N12 O3.056 -","4","1","","Neshat, Abdollah","Synthesis, characterization and photophysical properties of some 3,3′-bisindolyl(aryl)methanes","RSC Adv.","2016","6","39","32839","","10.1039/C6RA01391K","","x-ray","0.71073","MoKα","","0.2048","0.0738","","","0.1559","0.175","","","","","","0.824","","","","has coordinates","181506","2020-10-21","18:00:00",""
"7224820","12.038","0.0006","14.1246","0.0007","20.2492","0.001","90","","99.247","0.001","90","","3398.3","0.3","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-(4-(2-(9-octyl-9H-carbazol-3-yl)vinyl)phenyl)-3,3-diphenylacrylonitrile","","- C43 H40 N2 -","- C43 H40 N2 -","- C172 H160 N8 -","4","1","","Zhan, Yong; Gong, Peng; Yang, Peng; Jin, Zhe; Bao, Ying; Li, Ying; Xu, Yongnan","Aggregation-induced emission and reversible mechanochromic luminescence of carbazole-based triphenylacrylonitrile derivatives","RSC Adv.","2016","6","39","32697","","10.1039/C6RA03310E","","","0.71073","MoKα","","0.0936","0.0649","","","0.1629","0.1824","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224852","22.5787","0.0012","9.4591","0.0006","12.7032","0.0008","90","","118.015","0.003","90","","2395.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Ag2 N10 O6.25 -","- C18 H20 Ag2 N10 O6.25 -","- C72 H80 Ag8 N40 O25 -","4","0.5","","Ding, Bin; Guo, Chao; Liu, Shi Xin; Cheng, Yue; Wu, Xiang Xia; Su, Xiu Mei; Liu, Yuan Yuan; Li, Yan","A unique multi-functional cationic luminescent metal‒organic nanotube for highly sensitive detection of dichromate and selective high capacity adsorption of Congo red","RSC Adv.","2016","6","40","33888","","10.1039/C6RA03576K","","","0.71073","MoKα","","0.0385","0.0304","","","0.0611","0.064","","","","","","1.044","","","","has coordinates","181953","2020-10-21","18:00:00",""
"7224890","14.6223","0.001","16.5304","0.0012","15.2077","0.0011","90","","98.781","0.001","90","","3632.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 I2 Mn N3 O2 -","- C13 H21 I2 Mn N3 O2 -","- C104 H168 I16 Mn8 N24 O16 -","8","2","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.0653","0.0641","","","0.1746","0.1756","","","","","","1.093","","","","has coordinates","182010","2020-10-21","18:00:00",""
"7224891","9.8283","0.0006","12.8416","0.0007","13.4703","0.0009","90","","100.3","0.002","90","","1672.7","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Mn N9 O2 -","- C13 H21 Mn N9 O2 -","- C52 H84 Mn4 N36 O8 -","4","1","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.033","0.0258","","","0.0578","0.0608","","","","","","1.088","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224892","10.1382","0.0007","11.3567","0.0008","14.0782","0.001","103.348","0.002","110.85","0.002","101.57","0.002","1400.79","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H21 Mn N5 O2 S2 -","- C15 H21 Mn N5 O2 S2 -","- C45 H63 Mn3 N15 O6 S6 -","3","3","","Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands","RSC Adv.","2016","6","41","34674","","10.1039/C6RA03754B","","","0.71073","MoKα","","0.0681","0.068","","","0.1756","0.1757","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224893","5.5906","0.0006","18.9078","0.0019","21.3233","0.0017","90","","90","","90","","2254","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Furan","2-(2-naphthoyl)-3-(4-methoxyphenyl)-6, 6-dimethyl-2,3,6,7-tetrahydrobenzofuran-4(5H)-one","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Raghav, Neera; Jangra, Suman; Kumar, Ajay; Bhattacharyya, Shalmoli; Wadhwa, Deepak; Sindhu, Jayant","Cathepsin B, H and L inhibitors as cell proliferating agents: design, synthesis, computational and pharmacological studies of some novel 2-(2-naphthoyl)-6,6-dimethyl-3-aryl-2,3,6,7-tetrahydrobenzofuran-4(5H)-ones","RSC Adv.","2016","6","41","34588","","10.1039/C6RA06480A","","","0.71073","MoKα","","0.0882","0.0543","","","0.1137","0.129","","","","","","0.869","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224948","7.0576","0.0006","10.7369","0.0012","24.894","0.002","90","","91.844","0.003","90","","1885.4","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 F5 N4 O S -","- C21 H13 F5 N4 O S -","- C84 H52 F20 N16 O4 S4 -","4","1","","Gu, Pei-Yang; Wang, Chengyuan; Nie, Lina; Long, Guankui; Zhang, Qichun","A novel heteroacene 2-(perfluorophenyl)-1H-imidazo[4,5-b]phenazine for selective sensing of picric acid","RSC Adv.","2016","6","44","37929","","10.1039/C6RA08547D","","","0.71073","MoKα","","0.0584","0.0443","","","0.1082","0.1158","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224949","9.6372","0.0004","15.6851","0.0007","9.8491","0.0004","90","","100.796","0.0011","90","","1462.44","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl 3-(2-(4-chlorophenyl)-2-oxoethyl)-2-oxo-3-(10-oxo-9,10-dihydroanthr acen-9-yl)indoline-1-carboxylate","","- C35 H28 Cl N O5 -","- C35 H28 Cl N O5 -","- C70 H56 Cl2 N2 O10 -","2","1","","Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian","Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones","RSC Adv.","2016","6","45","38558","","10.1039/C5RA21614A","","","0.71073","MoKα","","0.1017","0.0824","","","0.2112","0.2394","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224950","14.9648","0.0006","9.7262","0.0004","20.3605","0.0008","90","","99.0019","0.0012","90","","2927","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R)-tert-butyl 4-chloro-2-oxo-3-((S)-2-oxo-1-(10-oxo-9,10-dihydroanthracen-9-yl) -2-phenylethyl)indoline-1-carboxylate","","- C35 H28 Cl N O5 -","- C35 H28 Cl N O5 -","- C140 H112 Cl4 N4 O20 -","4","1","","Zhao, Huaili; Xiao, Mingyan; Xu, Lubin; Wang, Liang; Xiao, Jian","Bifunctional thiourea catalyzed asymmetric Michael addition of anthrone to methyleneindolinones","RSC Adv.","2016","6","45","38558","","10.1039/C5RA21614A","","","0.71073","MoKα","","0.1305","0.1001","","","0.2548","0.3042","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224956","10.2934","0.0004","15.9246","0.0005","15.9021","0.0005","90","","102.203","0.002","90","","2547.75","0.15","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cd Cl2 N2 Ni O7 -","- C21 H30 Cd Cl2 N2 Ni O7 -","- C84 H120 Cd4 Cl8 N8 Ni4 O28 -","4","1","","Banerjee, Saikat; Bauzá, Antonio; Frontera, Antonio; Saha, Amrita","Exploration of unconventional π‒hole and C‒H⋯H‒C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)‒Ni(ii) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions","RSC Adv.","2016","6","45","39376","","10.1039/C6RA04428J","","","0.71073","MoKα","","0.0485","0.0351","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","182218","2020-10-21","18:00:00",""
"7224957","20.0254","0.0006","8.8925","0.0002","23.9742","0.0006","90","","100.745","0.001","90","","4194.37","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cd3 N6 O14 -","- C38 H40 Cd3 N6 O14 -","- C152 H160 Cd12 N24 O56 -","4","1","","Banerjee, Saikat; Bauzá, Antonio; Frontera, Antonio; Saha, Amrita","Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions in a trinuclear Cd(ii) and a heteronuclear Cd(ii)–Ni(ii) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions","RSC Adv.","2016","6","45","39376","","10.1039/C6RA04428J","","","0.71073","MoKα","","0.0321","0.0239","","","0.0614","0.0725","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224958","16.098","0.0009","16.098","0.0009","10.1703","0.0011","90","","90","","90","","2635.6","0.4","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- Cs2 O10 W3 -","- Cs2.727 O13.638 W4.0921 -","- Cs21.816 O109.104 W32.7368 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0484","0.0466","","","0.115","0.1167","","","","","","1.089","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7224959","15.9516","0.0009","15.9516","0.0009","10.0565","0.0011","90","","90","","90","","2558.9","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- O10 Rb2 W3 -","- O13.6379 Rb2.72703 W4.0917 -","- O109.103 Rb21.8162 W32.7336 -","8","1","","Zhang, Min; Lian, Zhipeng; Wang, Ying; Pan, Shilie","Nonlinear optical and self-activated luminescent properties of A2W3O10(A = Rb and Cs)","RSC Adv.","2016","6","45","39234","","10.1039/C6RA03407A","","","0.71073","MoKα","","0.0534","0.0488","","","0.1136","0.1174","","","","","","1.041","","","","has coordinates","182219","2020-10-21","18:00:00",""
"7224960","19.0108","0.0008","10.0865","0.0003","20.7318","0.0009","90","","116.291","0.005","90","","3564.1","0.3","294.39","0.1","294.39","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C168 H128 Cl8 N24 O16 -","8","1","","Li, Jun-Long; Li, Qiang; Yang, Kai-Chuan; Li, Yi; Zhou, Liang; Han, Bo; Peng, Cheng; Gou, Xiao-Jun","A practical green chemistry approach to synthesize fused bicyclic 4H-pyranes via an amine catalysed 1,4-addition and cyclization cascade","RSC Adv.","2016","6","45","38875","","10.1039/C6RA06441H","","x-ray","1.54184","CuKα","","0.0647","0.0567","","","0.1556","0.1655","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224976","11.7945","0.0002","20.7553","0.0002","12.0487","0.0002","90","","95.033","0.001","90","","2938.13","0.08","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Fe N6 O2 S2 -","- C27 H36 Fe N6 O2 S2 -","- C108 H144 Fe4 N24 O8 S8 -","4","2","","Seredyuk, Maksym; Znovjyak, Kateryna; Muñoz, M. Carmen; Galyametdinov, Yurii; Fritsky, Igor O.; Real, Jose A.","Imparting hysteretic behavior to spin transition in neutral mononuclear complexes","RSC Adv.","2016","6","46","39627","","10.1039/C6RA05342D","","","0.71069","MoKα","","0.0466","0.0396","","","0.091","0.0979","","","","","","0.982","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224977","11.923","0.005","21.342","0.005","12.365","0.005","90","0.005","94.533","0.005","90","0.005","3137","2","400","1","400","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Fe N6 O2 S2 -","- C27 H36 Fe N6 O2 S2 -","- C108 H144 Fe4 N24 O8 S8 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna; Muñoz, M. Carmen; Galyametdinov, Yurii; Fritsky, Igor O.; Real, Jose A.","Imparting hysteretic behavior to spin transition in neutral mononuclear complexes","RSC Adv.","2016","6","46","39627","","10.1039/C6RA05342D","","","0.71069","MoKα","","0.1229","0.0877","","","0.2074","0.2587","","","","","","0.954","","","","has coordinates","182236","2020-10-21","18:00:00",""
"7224980","9","0.0018","14.045","0.003","11.779","0.002","90","","92.38","0.03","90","","1487.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 F12 N8 P2 -","- C20 H34 F12 N8 P2 -","- C40 H68 F24 N16 P4 -","2","0.5","","Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg","Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation","RSC Adv.","2016","6","45","39323","","10.1039/C6RA04494H","","","0.71073","MoKα","","0.0821","0.0547","","","0.1406","0.159","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224981","6.912","0.0014","8.356","0.0017","8.844","0.0018","110.9","0.03","97.94","0.03","111.5","0.03","422.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H28 N6 -","- C16 H28 N6 -","- C16 H28 N6 -","1","0.5","","Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg","Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation","RSC Adv.","2016","6","45","39323","","10.1039/C6RA04494H","","","0.71073","MoKα","","0.0728","0.0463","","","0.112","0.1278","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224987","8.154","0.002","10.448","0.002","21.731","0.004","90","","93.37","0.02","90","","1848.1","0.7","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Fe -","- C26 H22 Fe -","- C104 H88 Fe4 -","4","2","","Majchrzak, M.; Kostera, S.; Grzelak, M.; Marciniec, B.; Kubicki, M.","An efficient catalytic synthesis and characterization of new styryl-ferrocenes and their trans-π-conjugated organosilicon materials","RSC Adv.","2016","6","46","39947","","10.1039/C6RA00859C","","","0.7107","MoKα","","0.0857","0.0599","","","0.0801","0.0883","","","","","","0.91","","","","has coordinates","182252","2020-10-21","18:00:00",""
"7225027","12.499","0.003","14.522","0.003","14.653","0.003","92.88","0.03","101.13","0.03","109.11","0.03","2447.3","1.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H92 Cl4 N14 O2 Rh2 -","- C120 H92 Cl4 N14 O2 Rh2 -","- C120 H92 Cl4 N14 O2 Rh2 -","1","0.5","","Xue, Zhaoli; Wang, Yemei; Mack, John; Mkhize, Scebi; Nyokong, Tebello; Fang, Yuanyuan; Ou, Zhongping; Kadish, Karl M.","Synthesis, characterization and electrochemistry of rhodium(iii) complexes of meso-substituted [14]tribenzotriphyrin(2.1.1)","RSC Adv.","2016","6","48","41919","","10.1039/C6RA03028A","","","0.71073","MoKα","","0.129","0.087","","","0.1406","0.1598","","","","","","1.116","","","","has coordinates","182379","2020-10-21","18:00:00",""
"7225031","9.0977","0.0004","11.2713","0.0005","11.4682","0.0005","118.856","0.0011","92.172","0.0013","91.338","0.0012","1028.06","0.08","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M.","A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel–Michael-imine pathway: a microwave assisted approach","RSC Adv.","2016","6","48","41897","","10.1039/C6RA05322J","","","0.71073","MoKα","","0.0508","0.04","","","0.0955","0.1012","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225032","9.2047","0.0004","14.1206","0.0007","16.658","0.0008","75.9437","0.0014","74.4957","0.0014","87.8667","0.0015","2022.99","0.17","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M.","A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel–Michael-imine pathway: a microwave assisted approach","RSC Adv.","2016","6","48","41897","","10.1039/C6RA05322J","","","0.71073","MoKα","","0.1303","0.066","","","0.1478","0.1647","","","","","","0.967","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225035","12.3508","0.0003","12.2285","0.0003","17.9527","0.0003","90","","94.4756","0.0018","90","","2703.16","0.1","102.5","","102.5","","","","","","","","Paraconiothyrium sporulosum YK-03","4","P 1 21 1","P 2yb","4","","Sporulosines A (1) and B (2)","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","4","","Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu","Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03","RSC Adv.","2016","6","48","42361","","10.1039/C6RA01401A","","","1.5418","CuKα","","0.0485","0.0444","","","0.1116","0.1153","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225036","8.9724","0.0011","15.5705","0.0016","17.2632","0.0017","86.822","0.008","86.077","0.009","74.23","0.01","2313.8","0.4","140","0.3","140","0.3","","","","","","","","5","P -1","-P 1","2","","(pentafluorophenyl){3,5-bis(trifluoromethyl)phenyl}(pentachlorophenyl)borane","","- C20 H3 B Cl5 F11 -","- C20 H3 B Cl5 F11 -","- C80 H12 B4 Cl20 F44 -","4","2","","Blagg, Robin J.; Wildgoose, Gregory G.","H2activation using the first 1 : 1 : 1 hetero-tri(aryl)borane","RSC Adv.","2016","6","48","42421","","10.1039/C6RA07007H","","x-ray","0.71073","MoKα","","0.3359","0.0982","","","0.0919","0.1515","","","","","","0.95","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225089","7.926","0.002","15.738","0.005","13.422","0.004","90","","100.404","0.003","90","","1646.7","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B F7 N2 S -","- C12 H20 B F7 N2 S -","- C48 H80 B4 F28 N8 S4 -","4","1","","Mizuta, Satoshi; Kitamura, Kanami; Nishi, Kodai; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya","Activity of N,N′-dialkyl-2-trifluoromethylthioimidazolium salts as phase-transfer catalyst for the alkylation of active methylene compounds","RSC Adv.","2016","6","49","43159","","10.1039/C6RA06870G","","","0.71075","MoKα","","0.0685","0.0516","","","0.1189","0.1267","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225171","9.861","0.002","28.306","0.006","10.024","0.002","90","","102.863","0.004","90","","2727.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 Zn -","- C30 H23 N3 O5 Zn -","- C120 H92 N12 O20 Zn4 -","4","1","","Yang, Yi; Shen, Kang; Lin, Jun-zhong; Zhou, Yong; Liu, Qiao-yun; Hang, Cheng; Abdelhamid, Hani Nasser; Zhang, Zhen-qin; Chen, Hong","A Zn-MOF constructed from electron-rich π-conjugated ligands with an interpenetrated graphene-like net as an efficient nitroaromatic sensor","RSC Adv.","2016","6","51","45475","","10.1039/C6RA00524A","","","0.71073","MoKα","","0.0613","0.0452","","","0.1277","0.1348","","","","","","1.035","","","","has coordinates","182881","2020-10-21","18:00:00",""
"7225172","7.0996","0.0002","17.4669","0.0006","11.5838","0.0004","90","","96.25","0.001","90","","1427.95","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H17 O6.5 -","- C16 H16 O6.5 -","- C64 H64 O26 -","4","2","","Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian","Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum","RSC Adv.","2016","6","51","45963","","10.1039/C6RA05148K","","","1.54178","CuKα","","0.0539","0.053","","","0.1452","0.1466","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225342","10.1947","0.0006","8.73","0.0005","34.4274","0.0016","90","","90","","90","","3064","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 O P -","- C19 H15 O P -","- C152 H120 O8 P8 -","8","1","","Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran","Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase","RSC Adv.","2016","6","57","51683","","10.1039/C6RA07477D","","","0.71073","MoKα","","0.0821","0.0548","","","0.1148","0.1291","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225343","8.5525","0.0014","10.3525","0.0017","10.5874","0.0017","114.517","0.016","99.585","0.014","90.156","0.013","838.3","0.3","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 O P -","- C20 H17 O P -","- C40 H34 O2 P2 -","2","1","","Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran","Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase","RSC Adv.","2016","6","57","51683","","10.1039/C6RA07477D","","","0.71073","MoKα","","0.072","0.0516","","","0.1302","0.146","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225355","3.9254","0.0012","6.0049","0.0018","13.818","0.004","77.96","0.004","88.838","0.004","72.527","0.004","303.54","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O4 S2 -","- C12 H10 O4 S2 -","- C12 H10 O4 S2 -","1","0.5","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0507","0.0486","","","0.125","0.1273","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225356","9.4677","0.0005","31.1867","0.0015","10.2754","0.0005","90","","107.706","0.002","90","","2890.3","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl N2 O P Pd S -","- C31 H26 Cl N2 O P Pd S -","- C124 H104 Cl4 N8 O4 P4 Pd4 S4 -","4","1","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0395","0.0339","","","0.0763","0.0774","","","","","","1.313","","","","has coordinates","183147","2020-10-21","18:00:00",""
"7225357","9.605","0.002","18.386","0.005","19.197","0.005","112.769","0.012","101.774","0.012","97.141","0.013","2981.6","1.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H28 Cl N2 O2 P Pd S -","- C32 H28 Cl N2 O2 P Pd S -","- C128 H112 Cl4 N8 O8 P4 Pd4 S4 -","4","2","","Muthumari, Subramanian; Ramesh, Rengan","Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium","RSC Adv.","2016","6","57","52101","","10.1039/C6RA06734D","","","0.71073","MoKα","","0.0693","0.038","","","0.1168","0.1686","","","","","","0.846","","","","has coordinates","183147","2020-10-21","18:00:00",""
"7225438","4.5103","0.0003","19.8005","0.0015","12.1942","0.0008","90","","95.592","0.007","90","","1083.83","0.13","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","C–H⋯Br–C vs. C–Br⋯Br–C vs. C–Br⋯N bonding in molecular self-assembly of pyridine-containing dyes","RSC Adv.","2016","6","59","53669","","10.1039/C6RA10094E","","","0.71073","MoKα","","0.0426","0.0356","","","0.094","0.0979","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225439","6.1946","0.0006","7.0152","0.0007","25.1","0.002","90","","90","","90","","1090.75","0.17","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","C–H⋯Br–C vs. C–Br⋯Br–C vs. C–Br⋯N bonding in molecular self-assembly of pyridine-containing dyes","RSC Adv.","2016","6","59","53669","","10.1039/C6RA10094E","","","0.71073","MoKα","","0.054","0.0477","","","0.1152","0.1185","","","","","","1.105","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225498","27.108","0.008","10.673","0.002","16.641","0.005","90","","104.241","0.008","90","","4667","2","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cd2 N12 O13.5 -","- C34 H37 Cd2 N12 O13.5 -","- C136 H148 Cd8 N48 O54 -","4","0.5","","Zhao, Shan; Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Bao-Long; Wu, Bing","An unusual (4,4)-connected 3D porous cadmium metal‒organic framework as a luminescent sensor for detection of nitrobenzene","RSC Adv.","2016","6","61","56035","","10.1039/C6RA10664A","","","0.7107","MoKα","","0.1031","0.0857","","","0.1848","0.1943","","","","","","1.259","","","","has coordinates","183423","2020-10-21","18:00:00",""
"7225511","9.4901","0.0006","11.3584","0.0007","20.3272","0.0013","90","","90","","90","","2191.1","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(2,3-Dimethylphenyl)-4-((1-(2,3-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one","","- C25 H26 N4 O2 -","- C25 H26 N4 O2 -","- C100 H104 N16 O8 -","4","1","","Kaliraj, Kaliappan; Xia, Likai; Edison, Thomas Nesakumar Jebakumar Immanuel; Lee, Yong Rok","Straightforward synthesis of diverse dipyrazolylmethane derivatives and their application for fluorescence sensing of Cu2+ions","RSC Adv.","2016","6","61","56323","","10.1039/C6RA10530K","","","0.71073","MoKα","","0.1162","0.043","","","0.0639","0.0837","","","","","","0.851","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225515","7.1387","0.0003","16.6302","0.0005","17.1016","0.0006","90","","100.004","0.004","90","","1999.4","0.13","148","80","148","80","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 B F4 O3 -","- C24 H16 B F4 O3 -","- C96 H64 B4 F16 O12 -","4","1","","Beltrán, Alicia; Burguete, M. Isabel; Luis, Santiago V.; Galindo, Francisco","Characterization of amine stabilized CdSe/ZnS core‒shell quantum dots by using triarylpyrylium dyes","RSC Adv.","2016","6","61","56064","","10.1039/C6RA09614J","","","1.54184","CuKα","","0.0521","0.0442","","","0.119","0.1275","","","","","","1.034","","","","has coordinates","183452","2020-10-21","18:00:00",""
"7225516","13.5265","0.0004","9.8137","0.0003","15.2162","0.0004","90","","95.234","0.003","90","","2011.45","0.1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 B Br F4 O -","- C23 H16 B Br F4 O -","- C92 H64 B4 Br4 F16 O4 -","4","1","","Beltrán, Alicia; Burguete, M. Isabel; Luis, Santiago V.; Galindo, Francisco","Characterization of amine stabilized CdSe/ZnS core‒shell quantum dots by using triarylpyrylium dyes","RSC Adv.","2016","6","61","56064","","10.1039/C6RA09614J","","","1.5418","CuKα","","0.1292","0.074","","","0.2916","0.3051","","","","","","1.439","","","","has coordinates","183452","2020-10-21","18:00:00",""
"7225519","9.001","0.002","9.362","0.002","14.597","0.003","90","","104.81","0.008","90","","1189.2","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","3'-benzyl 1'-(tert-butyl) (R)-5-bromo-1-methyl-2-oxo-1,2,5'-trihydrospiro[indole-3,2'-pyrrole]-1',3'-dicarboxylate","","- C25 H25 Br N2 O5 -","- C25 H25 Br N2 O5 -","- C50 H50 Br2 N4 O10 -","2","1","","Sankar, Muthukumar G.; Garcia-Castro, Miguel; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal","l-Isoleucine derived bifunctional phosphine catalyses asymmetric [3 + 2]-annulation of allenyl-esters and -ketones with ketimines","RSC Adv.","2016","6","61","56537","","10.1039/C6RA12387B","","x-ray","0.71073","MoKα","","0.0217","0.0207","","","0.0525","0.053","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225520","13.3263","0.0003","8.3727","0.0002","20.7908","0.0005","90","","102.872","0.0011","90","","2261.48","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C38 H60 Gd2 N6 O14 -","- C38 H60 Gd2 N6 O14 -","- C76 H120 Gd4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0214","0.02","","","0.0503","0.051","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225521","13.3404","0.0005","8.3937","0.0003","20.8588","0.0008","90","","102.218","0.002","90","","2282.77","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2","","- C38 H60 Dy2 N6 O14 -","- C38 H60 Dy2 N6 O14 -","- C76 H120 Dy4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0765","0.0492","","","0.1028","0.1132","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225522","13.2891","0.0008","8.3607","0.0006","20.7052","0.0015","90","","102.908","0.004","90","","2242.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C38 H60 Ho2 N6 O14 -","- C38 H60 Ho2 N6 O14 -","- C76 H120 Ho4 N12 O28 -","2","0.5","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0849","0.0528","","","0.1034","0.1116","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225523","8.5864","0.0006","10.3618","0.0008","13.2646","0.0009","74.961","0.003","86.219","0.003","78.632","0.003","1117.24","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","4","","- C19 H30 Er N3 O7 -","- C19 H30 Er N3 O7 -","- C38 H60 Er2 N6 O14 -","2","1","","Jiang, Y.; Holmberg, R. J.; Habib, F.; Ungur, L.; Korobkov, I.; Chibotaru, L. F.; Murugesu, M.","Probing the structural and magnetic properties of a new family of centrosymmetric dinuclear lanthanide complexes","RSC Adv.","2016","6","61","56668","","10.1039/C6RA12070A","","","0.71073","MoKα","","0.0421","0.0381","","","0.0959","0.0987","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225579","14.29","0.005","7.43","0.005","14.697","0.005","90","0.005","116.638","0.005","90","0.005","1394.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isonicotinamidium picrate","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C48 H36 N20 O32 -","4","1","","Jauhar, RO. MU.; Viswanathan, V.; Vivek, P.; Vinitha, G.; Velmurugan, D.; Murugakoothan, P.","A new organic NLO material isonicotinamidium picrate (ISPA): crystal structure, structural modeling and its physico-chemical properties","RSC Adv.","2016","6","63","57977","","10.1039/C6RA10477K","","","0.71073","MoKα","","0.1095","0.0643","","","0.1482","0.1711","","","","","","1.118","","","","has coordinates","183668","2020-10-21","18:00:00",""
"7225586","7.6171","0.0009","21.66","0.003","13.267","0.0017","90","","101.311","0.004","90","","2146.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C116 H88 N8 O8 -","4","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thiyagarajan, Manojkumar Dhanthalu; Iyer, Sathiyanarayanan Kulathu","Highly emissive, naked-eye solvatochromic probe based on styryl tetrahydrodibenzo[a,i]phenanthridine for acidochromic applications","RSC Adv.","2016","6","63","58549","","10.1039/C6RA09359K","","","0.71073","MoKα","","0.084","0.0516","","","0.1313","0.1688","","","","","","1.241","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225591","12.6875","0.0004","6.8467","0.0002","33.0184","0.001","90","","95.813","0.002","90","","2853.48","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N3 -","- C19 H12 F N3 -","- C152 H96 F8 N24 -","8","2","","Harsha, Kachigere B.; Rangappa, Kanchugarkoppal S.","One-step approach for the synthesis of functionalized quinoxalines mediated by T3P®–DMSO or T3P® via a tandem oxidation–condensation or condensation reaction","RSC Adv.","2016","6","62","57154","","10.1039/C6RA03078E","","","1.54178","CuKα","","0.0613","0.0409","","","0.1074","0.1222","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225709","7.199","0.003","11.837","0.005","25.842","0.01","90","","90","","90","","2202.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 O3 Si -","- C20 H40 O3 Si -","- C80 H160 O12 Si4 -","4","1","","Pazos, Gonzalo; Pérez, Manuel; Gándara, Zoila; Gómez, Generosa; Fall, Yagamare","[3,3]-Sigmatropic rearrangement mediated synthesis of chiral building blocks for the preparation of Gemini and its analogs","RSC Adv.","2016","6","66","61073","","10.1039/C6RA08789B","","","0.71073","MoKα","","0.096","0.0435","","","0.0932","0.1149","","","","","","0.997","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225710","12.481","0.003","10.625","0.002","17.678","0.004","90","","108.484","0.003","90","","2223.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H11.5 F N O P -","- C27 H19 F N O P -","- C108 H76 F4 N4 O4 P4 -","4","1","","Zhang, Pengbo; Zhang, Liangliang; Gao, Yuzhen; Tang, Guo; Zhao, Yufen","Synthesis of 3-phosphinoylquinolines via a phosphinoylation‒cyclization‒aromatization process mediated by tert-butyl hydroperoxide","RSC Adv.","2016","6","65","60922","","10.1039/C6RA11426A","","","0.71073","MoKα","","0.0602","0.0563","","","0.1919","0.1958","","","","","","1.616","","","","has coordinates","183930","2020-10-21","18:00:00",""
"7225717","14.27","0.017","15.761","0.018","19.565","0.018","64.33","0.05","68.53","0.06","71.15","0.06","3619","7","273","","293","","","","","","","","","5","P -1","-P 1","2","","10,10?-(9-Ethyl-9H-carbazole-3,6-diyl)bis(10H-phenothiazine","","- C47 H48 N6 O3 S2 -","- C42.5 H37.5 N4.5 O1.5 S2 -","- C170 H150 N18 O6 S8 -","4","2","","Bagdžiūnas, Gintautas; Grybauskaitė, Gintarė; Kostiv, Nataliya; Ivaniuk, Khrystyna; Volyniuk, Dmytro; Lazauskas, Algirdas","Green and red phosphorescent organic light-emitting diodes with ambipolar hosts based on phenothiazine and carbazole moieties: photoelectrical properties, morphology and efficiency","RSC Adv.","2016","6","66","61544","","10.1039/C6RA12692H","","","0.71075","MoKα","","","0.104","","","","0.3928","","","","","","0.995","","","","has coordinates","184011","2020-10-21","18:00:00",""
"7225718","9.511","0.011","10.365","0.01","11.708","0.014","75.35","0.04","88.08","0.05","64.4","0.04","1003","2","273","","293","","","","","","","","","4","P -1","-P 1","2","","10-(9-Ethyl-9H-carbazol-3-yl)-10H-phenothiazine","","- C26 H20 N2 S -","- C26 H20 N2 S -","- C52 H40 N4 S2 -","2","1","","Bagdžiūnas, Gintautas; Grybauskaitė, Gintarė; Kostiv, Nataliya; Ivaniuk, Khrystyna; Volyniuk, Dmytro; Lazauskas, Algirdas","Green and red phosphorescent organic light-emitting diodes with ambipolar hosts based on phenothiazine and carbazole moieties: photoelectrical properties, morphology and efficiency","RSC Adv.","2016","6","66","61544","","10.1039/C6RA12692H","","","0.71075","MoKα","","","0.0653","","","","0.2799","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225803","16.9751","0.0005","20.3272","0.0006","20.5345","0.0006","90.308","0.002","105.442","0.003","107.538","0.003","6484","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 N5 O3 -","- C36 H35 N5 O3 -","- C288 H280 N40 O24 -","8","4","","Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan","A real time colorimetric ‘two in one’ kit for tracking ppb levels of uric acid and Hg2+ in live HeLa S3 cells and Hg2+ induced keto–enol tautomerism","RSC Adv.","2016","6","67","62990","","10.1039/C6RA06987H","","","0.71073","MoKα","","0.1336","0.1009","","","0.2605","0.2843","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225833","9.0844","0.0008","11.8316","0.001","11.9311","0.001","117.753","0.002","97.176","0.002","101.322","0.002","1077.65","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Methyl (E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate","","- C24 H20 N2 O4 S2 -","- C24 H20 N2 O4 S2 -","- C48 H40 N4 O8 S4 -","2","1","","Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang","Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes","RSC Adv.","2016","6","68","63724","","10.1039/C6RA09883E","","","0.71073","MoKα","","0.0655","0.0457","","","0.1034","0.115","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225834","7.1651","0.0006","16.446","0.0011","19.784","0.0014","90","","100.202","0.004","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate","","- C25 H22 N2 O4 S2 -","- C25 H22 N2 O4 S2 -","- C100 H88 N8 O16 S8 -","4","1","","Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang","Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes","RSC Adv.","2016","6","68","63724","","10.1039/C6RA09883E","","","0.71073","MoKα","","0.0965","0.0856","","","0.2145","0.2191","","","","","","1.06","","","","has coordinates,has disorder","184261","2020-10-21","18:00:00",""
"7225885","7.5593","0.0003","8.502","0.0003","9.0604","0.0004","90","","90","","90","","582.3","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Cl O4 -","- C4 H5 Cl O4 -","- C16 H20 Cl4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0401","0.04","","","0.1028","0.1029","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225886","7.5647","0.0005","8.6337","0.0007","9.238","0.0007","90","","90","","90","","603.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Br O4 -","- C4 H5 Br O4 -","- C16 H20 Br4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0284","0.0264","","","0.0562","0.0568","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225887","8.0994","0.0004","8.3605","0.0004","8.8967","0.0007","101.264","0.003","106.468","0.003","118.411","0.002","467.59","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Br N2 O4 -","- C7 H9 Br N2 O4 -","- C14 H18 Br2 N4 O8 -","2","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0436","0.0425","","","0.114","0.1158","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225888","7.2825","0.0002","8.8079","0.0003","8.0544","0.0002","90","","108.936","0.002","90","","488.68","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 Br N2 O4 -","- C7 H9 Br N2 O4 -","- C14 H18 Br2 N4 O8 -","2","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0187","0.0184","","","0.0473","0.0473","","","","","","1.079","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225889","5.0265","0.0003","6.184","0.0003","8.1859","0.0004","93.095","0.003","102.264","0.003","106.883","0.003","236.1","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","- C7 H9 Cl N2 O4 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0238","0.0234","","","0.0575","0.0577","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225890","8.1185","0.0008","8.2996","0.0008","8.8998","0.0009","100.911","0.005","106.931","0.005","117.952","0.004","467.58","0.09","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","- C14 H18 Br Cl N4 O8 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0333","0.0331","","","0.0831","0.0832","","","","","","1.141","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225891","7.7692","0.0003","9.6937","0.0005","10.7311","0.0004","102.275","0.003","93.038","0.002","107.62","0.003","746.66","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","- C28 H26 Br Cl N4 O12 -","1","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate – molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0361","0.0345","","","0.0794","0.0803","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:17:03",""
"7225917","16.599","0.004","7.731","0.002","17.121","0.004","90","","111.991","0.004","90","","2037.2","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0695","0.0425","","","0.1016","0.1188","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225918","16.672","0.012","13.929","0.01","8.865","0.006","90","","102.965","0.008","90","","2006","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0519","0.038","","","0.0905","0.1004","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225919","18.495","0.004","13.396","0.003","7.8586","0.0017","90","","96.436","0.004","90","","1934.8","0.7","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.0839","0.0506","","","0.1193","0.1412","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225920","16.517","0.004","13.934","0.003","9.048","0.002","90","","103.642","0.004","90","","2023.6","0.8","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.1029","0.0516","","","0.1164","0.1429","","","","","","0.954","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225921","17.245","0.011","13.979","0.009","8.714","0.006","90","","103.29","0.01","90","","2044","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin","Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives","RSC Adv.","2016","6","71","66477","","10.1039/C6RA14707K","","","0.71073","MoKα","","0.1947","0.0857","","","0.2015","0.2691","","","","","","0.969","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226002","15.0018","0.0006","11.1825","0.0004","16.9177","0.0007","90","","110.262","0.004","90","","2662.45","0.19","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N3 -","- C37 H33 N3 -","- C148 H132 N12 -","4","1","","Meinhardt, Ute; Lodermeyer, Fabian; Schaub, Tobias A.; Kunzmann, Andreas; Dral, Pavlo O.; Sale, Anna Chiara; Hampel, Frank; Guldi, Dirk M.; Costa, Ruben D.; Kivala, Milan","N-Heterotriangulene chromophores with 4-pyridyl anchors for dye-sensitized solar cells","RSC Adv.","2016","6","71","67372","","10.1039/C6RA14799B","","","1.5418","CuKα","","0.0806","0.053","","","0.1277","0.1517","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226019","10.9788","0.0008","25.286","0.003","16.0994","0.0007","90","","100.188","0.006","90","","4398.9","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,15-Dihexyl-7,16-diphenyl-6,15-dihydroindeno[1,2-b]indeno[2',1':5,6]indolo[2,3-h]carbazole-9,18-dione","","- C56 H48 N2 O2 -","- C56 H48 N2 O2 -","- C224 H192 N8 O8 -","4","1","","Irgashev, Roman A.; Kazin, Nikita A.; Kim, Grigory A.; Rusinov, Gennady L.; Charushin, Valery N.","A new synthetic approach to fused nine-ring systems of the indolo[3,2-b]carbazole family through double Pd-catalyzed intramolecular C‒H arylation","RSC Adv.","2016","6","74","70106","","10.1039/C6RA11796A","","","0.7107","MoKα","","0.1733","0.068","","","0.1632","0.2204","","","","","","1.001","","","","has coordinates,has disorder","184644","2020-10-21","18:00:00",""
"7226047","12.4924","0.0009","8.6494","0.0005","20.0211","0.0014","90","","105.311","0.004","90","","2086.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(5-Ethyl-2-hydroxyphenyl)(2'-hydroxy-[1,1':3',1''-terphenyl]-5'-yl)methanone","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Tamargo, Ramuel John Inductivo; Poudel, Tej Narayan; Lee, Yong Rok","Mild base-promoted benzannulation for the construction of polyfunctionalized m-terphenyl derivatives and their application as potent UV-filters","RSC Adv.","2016","6","74","70311","","10.1039/C6RA15193K","","","0.71073","MoKα","","0.1085","0.0487","","","0.0968","0.1181","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226069","7.4515","0.0015","11.579","0.002","19.631","0.003","90","","97.168","0.006","90","","1680.5","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O P S3 -","- C15 H16 N O P S3 -","- C60 H64 N4 O4 P4 S12 -","4","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0292","","","","0.0357","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226070","7.215","0.002","8.581","0.003","9.903","0.002","103.094","0.009","93.329","0.0016","112.892","0.009","542.8","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 N O S -","- C10 H15 N O S -","- C20 H30 N2 O2 S2 -","2","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0446","","","","0.0404","","","","","","1.062","","","","has coordinates","184706","2020-10-21","18:00:00",""
"7226071","7.2351","0.0006","16.6785","0.0014","11.8701","0.001","90","","98.682","0.004","90","","1416","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 B F2 N2 -","- C15 H19 B F2 N2 -","- C60 H76 B4 F8 N8 -","4","1","","Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","Thionation reactions of 2-pyrrole carboxylates","RSC Adv.","2016","6","74","69691","","10.1039/C6RA14809C","","","0.71075","MoKα","","","0.0485","","","","0.0576","","","","","","1.089","","","","has coordinates","184706","2020-10-21","18:00:00",""
"7226087","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Chandra, Rukmani; Patra, Goutam K.","A reversible fluorescent-colorimetric chemosensor based on a novel Schiff base for visual detection of CO32−in aqueous solution","RSC Adv.","2016","6","76","72185","","10.1039/C5RA24549D","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","184747","2020-10-21","18:00:00",""
"7226178","7.7305","0.0008","7.8246","0.0008","12.9282","0.0012","90","","102.678","0.001","90","","762.94","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C40 H26 N2 O4 -","2","1","","Jiang, Bo; Fu, Rong; Qiu, Jiang-Kai; Yu, Yan; Wang, Shu-Liang; Tu, Shu-Jiang","A new [4 + 1]/[4 + 2]bicycliaztion strategy for accessing functionalized indeno[1,2-b]pyran-2-ones","RSC Adv.","2016","6","78","74372","","10.1039/C6RA16462E","","","0.71073","MoKα","","0.0821","0.0416","","","0.066","0.0765","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226179","7.1126","0.0002","8.151","0.0002","25.807","0.0007","90","","90","","90","","1496.16","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O3 S -","- C6 H8 O3 S -","- C48 H64 O24 S8 -","8","2","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0283","0.0277","","","0.073","0.0735","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226180","7.7606","0.0005","10.8844","0.0008","12.686","0.001","90","","90","","90","","1071.58","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 S -","- C11 H14 O3 S -","- C44 H56 O12 S4 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0349","0.0312","","","0.0752","0.0766","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226181","12.8947","0.0002","8.5141","0.0001","7.3227","0.0001","90","","90","","90","","803.936","0.019","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H8 O2 S2 -","- C6 H8 O2 S2 -","- C24 H32 O8 S8 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0194","0.0194","","","0.0515","0.0515","","","","","","1.153","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226195","7.169","0.003","13.975","0.006","18.344","0.009","90","","90","","90","","1837.8","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N4 O2 -","- C7 H5 Br N4 O2 -","- C56 H40 Br8 N32 O16 -","8","1","","Kumar, Arvind; Kumar, Satyanand; Khajuria, Yugal; Awasthi, Satish Kumar","A comparative study between heterogeneous stannous chloride loaded silica nanoparticles and a homogeneous stannous chloride catalyst in the synthesis of 5-substituted 1H-tetrazole","RSC Adv.","2016","6","79","75227","","10.1039/C6RA14352K","","","0.71073","MoKα","","0.2494","0.1185","","","0.2771","0.3868","","","","","","0.924","","","","has coordinates","185704","2020-10-21","18:00:00",""
"7226202","3.8416","0.0003","25.1212","0.0016","12.9636","0.0009","90","","92.567","0.002","90","","1249.8","0.15","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxy-4-methoxyphenyl)methanone","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Rao, Maddali L. N.; Ramakrishna, Boddu S.","Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones","RSC Adv.","2016","6","79","75505","","10.1039/C6RA18647E","","","0.71073","MoKα","","0.118","0.0581","","","0.1219","0.1535","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226223","20.3794","0.0007","9.1072","0.0003","9.1422","0.0003","90","","90","","90","","1696.79","0.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.0454","0.0421","","","0.1064","0.1087","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226224","6.2051","0.0006","8.201","0.0008","34.011","0.003","90","","90","","90","","1730.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.083","0.0584","","","0.1321","0.1522","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226225","11.1182","0.001","12.8745","0.0011","11.7116","0.0008","90","","90.398","0.001","90","","1676.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","asperether C","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.1054","0.063","","","0.1096","0.1375","","","","","","1.003","","","","has coordinates,has disorder","301865","2025-08-22","16:17:04",""
"7226254","8.1208","0.0008","8.1208","0.0008","6.208","0.0008","90","","90","","90","","409.4","0.08","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 Ge1.6 K2.4 Se8 -","- Ga2.4 Ge1.6 K2.4 Se8 -","- Ga2.4 Ge1.6 K2.4 Se8 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0242","0.0235","","","0.0554","0.0559","","","","","","1.18","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226255","8.1999","0.0004","8.1999","0.0004","6.146","0.0007","90","","90","","90","","413.25","0.06","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 K2.4 Se8 Si1.6 -","- Ga2.32 K2.4 Se8 Si1.6 -","- Ga2.32 K2.4 Se8 Si1.6 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0526","0.0501","","","0.1326","0.1364","","","","","","1.145","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226256","7.8824","0.0009","7.8824","0.0009","5.9557","0.0007","90","","90","","90","","370.04","0.07","273","2","273","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 Ge1.6 K2.4 S8 -","- Ga2.4 Ge1.6 K2.4 S8 -","- Ga2.4 Ge1.6 K2.4 S8 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.0237","0.0208","","","0.0455","0.0465","","","","","","1.192","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226257","7.891","0.0007","7.891","0.0007","5.866","0.0005","90","","90","","90","","365.26","0.06","273","2","273","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ga2.4 K2.4 S8 Si1.6 -","- Ga2.4 K2.4 S8 Si1.6 -","- Ga2.4 K2.4 S8 Si1.6 -","1","0.03125","","He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang","Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses","RSC Adv.","2016","6","80","76789","","10.1039/C6RA11079G","","","0.71073","MoKα","","0.025","0.0247","","","0.0717","0.072","","","","","","1.245","","","","has coordinates","185824","2020-10-21","18:00:00",""
"7226271","8.2009","0.0003","11.6802","0.0004","21.3811","0.0008","90","","90","","90","","2048.06","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Amireddy, Mamatha; Chen, Kwunmin","Organocatalytic one-pot asymmetric synthesis of functionalized spiropyrazolones via a Michael-aldol sequential reaction","RSC Adv.","2016","6","81","77474","","10.1039/C6RA13923J","","","0.71073","MoKα","","0.1164","0.0468","","","0.0791","0.0975","","","","","","0.968","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226335","8.093","0.0005","13.179","0.0007","11.412","0.0006","90","","91.431","0.019","90","","1216.8","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrophenoxy)-1-phenylethanone","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Vaz, Wesley F.; Custodio, Jean M. F.; Silveira, Rafael G.; Castro, Adailton N.; Campos, Carlos E. M.; Anjos, Murilo M.; Oliveira, Guilherme R.; Valverde, Clodoaldo; Baseia, Basílio; Napolitano, Hamilton B.","Synthesis, characterization, and third-order nonlinear optical properties of a new neolignane analogue","RSC Adv.","2016","6","82","79215","","10.1039/C6RA14961H","","","0.71073","MoKα","","0.0488","0.0397","","","0.1064","0.1127","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226398","8.3195","0.0004","13.6469","0.0006","12.8427","0.0005","90","","90","","90","","1458.1","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-(2-methoxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok","A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions","RSC Adv.","2016","6","85","82321","","10.1039/C6RA18661K","","","0.71073","MoKα","","0.0769","0.0616","","","0.1555","0.1659","","","","","","1.043","","","","has coordinates","186083","2020-10-21","18:00:00",""
"7226399","7.0251","0.0003","11.3852","0.0005","32.308","0.0015","90","","90","","90","","2584.1","0.2","150","2","150","2","","","","","","","Fungus Gymnascella dankaliensis","5","P 21 21 21","P 2ac 2ab","19","gymnastatin T","","","- C24 H38 Br N O7 -","- C24 H38 Br N O7 -","- C96 H152 Br4 N4 O28 -","4","1","","Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter","Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids","RSC Adv.","2016","6","85","81685","","10.1039/C6RA14554J","","","0.71073","MoKα","","0.0747","0.0626","","","0.1579","0.1637","","","","","","1.092","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226400","9.516","0.005","10.397","0.005","12.669","0.005","66.973","0.005","71.019","0.005","89.378","0.005","1081","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Piroxicam-Saccharin cocrystal","","","- C22 H18 N4 O7 S2 -","- C22 H18 N4 O7 S2 -","- C44 H36 N8 O14 S4 -","2","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0474","0.0355","","","0.1036","0.1102","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226401","7.034","","14.9894","0.0001","13.8939","0.0001","90","","96.387","0.001","90","","1455.82","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0427","0.0348","","","0.0974","0.1021","","","","","","1.045","","","","has coordinates","186086","2020-10-21","18:00:00",""
"7226402","9.444","","6.921","","11.684","","90","","103.05","","90","","743.965","","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Saccharin","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","","Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents","RSC Adv.","2016","6","85","81578","","10.1039/C6RA10411H","","","0.71073","MoKα","","0.0264","0.0221","","","0.0694","0.0724","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226481","9.1004","0.0011","10.5785","0.0019","11.775","0.002","90","","90","","90","","1133.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0926","0.0481","","","0.0785","0.0991","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226482","4.4436","0.0014","6.641","0.002","20.957","0.006","90","","90","","90","","618.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0431","0.0386","","","0.0941","0.0969","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226483","17.9837","0.0003","13.1145","0.0002","32.7662","0.0006","90","","102.828","0.0019","90","","7534.9","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","phenyl beta-aminobisulfonate","","- C44 H72 Br K9 N4 O37 S8 -","- C44 H72 Br K9 N4 O37 S8 -","- C176 H288 Br4 K36 N16 O148 S32 -","4","1","","Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C.","Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators","RSC Adv.","2016","6","88","84712","","10.1039/C6RA17791C","","x-ray","1.54184","CuKα","","0.1636","0.148","","","0.3662","0.3843","","","","","","1.536","","","","has coordinates,has disorder","186218","2020-10-21","18:00:00",""
"7226484","8.2498","0.0003","22.5592","0.0007","8.7439","0.0003","90","","90","","90","","1627.32","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","phenyl beta-aminobisulfonate","","- C10 H17 K2 N O8 S2 -","- C10 H17 K2 N O8 S2 -","- C40 H68 K8 N4 O32 S8 -","4","0.5","","Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C.","Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators","RSC Adv.","2016","6","88","84712","","10.1039/C6RA17791C","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.0567","0.0606","","","","","","1.082","","","","has coordinates","186218","2020-10-21","18:00:00",""
"7226485","8.2673","0.0011","18.169","0.003","14.955","0.002","90","","91.962","0.013","90","","2245.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-Hydroxy-3'-(4-methoxybenzoyl)-1'-phenyl-2H,4H-spiro-[furo[3,2-c]chromene-3,2'-pyrrole]-2,4,5'(1'H)-trione","","- C28 H17 N O8 -","- C28 H17 N O8 -","- C112 H68 N4 O32 -","4","1","","Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines","RSC Adv.","2016","6","88","84730","","10.1039/C6RA16889B","","","0.71073","MoKα","","0.0658","0.048","","","0.1208","0.1333","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226486","10.048","0.0016","10.5278","0.0012","13.317","0.0016","83.352","0.01","74.653","0.013","89.492","0.011","1349","0.3","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","3'-Benzoyl-4'-hydroxy-5-methyl-1'-(4-tolyl)-2H-spiro?[furo?[3,2-c]quinoline-3,2'-pyrrole]-2,4,5'(1'H,5H)-trione","","- C31 H23 N3 O6 -","- C31 H23 N3 O6 -","- C62 H46 N6 O12 -","2","1","","Dubovtsev, Alexey Yu.; Silaichev, Pavel S.; Nazarov, Mikhail A.; Dmitriev, Maksim V.; Maslivets, Andrey N.; Rubin, Michael","Spiro-condensation of 5-methoxycarbonyl-1H-pyrrole-2,3-diones with cyclic enoles to form spiro substituted furo[3,2-c]-coumarins and quinolines","RSC Adv.","2016","6","88","84730","","10.1039/C6RA16889B","","x-ray","0.71073","MoKα","","0.0729","0.0515","","","0.1284","0.1455","","","","","","1.035","","","","has coordinates,has disorder","186219","2020-10-21","18:00:00",""
"7226490","24.9088","0.0007","7.7954","0.00017","22.8886","0.0006","90","","103.302","0.003","90","","4325.1","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C185 H183.72 N15 O39 -","- C185 H183.724 N15 O39 -","- C185 H183.724 N15 O39 -","1","0.25","","Liang, Lijuan; Zhao, Liancheng; Zeng, Xianshun","Synthesis, optical, and chemical properties of a π-extended rhodol derivative and its derivatives with selectivity and sensitivity for sensing Hg2+in aqueous media","RSC Adv.","2016","6","88","85165","","10.1039/C6RA17024B","","x-ray","1.54184","CuKα","","0.1004","0.0874","","","0.2535","0.2728","","","","","","1.037","","","","has coordinates,has disorder","186278","2020-10-21","18:00:00",""
"7226496","6.5579","0.0007","7.6349","0.0006","15.6331","0.0014","84.549","0.007","86.322","0.008","78.859","0.008","763.67","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 Cl4 O3 -","- C11 H8 Cl4 O3 -","- C22 H16 Cl8 O6 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","0.71","MoKα","","0.3172","0.3061","","","0.7294","0.7473","","","","","","1.065","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226497","7.1786","0.0003","20.0394","0.0012","20.1954","0.0008","90","","90","","90","","2905.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C120 H96 Cl16 O24 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.1305","0.124","","","0.3392","0.3637","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226498","10.249","0.0006","7.6979","0.0004","19.7126","0.0011","90","","95.778","0.006","90","","1547.34","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H48 Cl2 O2 -","- C29 H48 Cl2 O2 -","- C58 H96 Cl4 O4 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.0654","0.0587","","","0.1551","0.1649","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226518","10.661","0.002","11.234","0.002","25.712","0.005","90","","90","","90","","3079.4","1","110.15","","110.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H14 B F2 N O S -","- C18 H14 B F2 N O S -","- C144 H112 B8 F16 N8 O8 S8 -","8","1","","Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application","RSC Adv.","2016","6","89","85838","","10.1039/C6RA17863D","","","0.71073","MoKα","","0.0675","0.0458","","","0.0822","0.0915","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226519","21.2631","0.0007","14.0448","0.0004","16.208","0.0009","90","","129.299","0.001","90","","3745.7","0.3","110.15","","110.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N4 O -","- C23 H18 N4 O -","- C184 H144 N32 O8 -","8","1","","Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application","RSC Adv.","2016","6","89","85838","","10.1039/C6RA17863D","","","1.54178","CuKα","","0.0353","0.0341","","","0.0878","0.0889","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226520","6.27813","0.00014","10.3446","0.0002","27.8319","0.0006","90","","90","","90","","1807.54","0.07","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C83 H110 O20 -","- C83 H110 O20 -","- C83 H110 O20 -","1","0.25","","Song, Jia-Ling; Yuan, Yao; Tan, Hai-Bo; Wu, Jie-Wei; Huang, Ri-Ming; Li, Heng; Xu, Zhi-Fang; Na, Ning; Qiu, Sheng-Xiang","Euryachins A and B, a new type of diterpenoids from Eurya chinensis with potent NO production inhibitory activity","RSC Adv.","2016","6","89","85958","","10.1039/C6RA11994H","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0984","0.0987","","","","","","1.093","","","","has coordinates,has disorder","186505","2020-10-21","18:00:00",""
"7226545","8.7368","0.0006","14.7568","0.0011","17.2163","0.0011","83.552","0.006","77.427","0.006","76.645","0.006","2103.3","0.3","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 N2 Si2 -","- C50 H56 N2 Si2 -","- C100 H112 N4 Si4 -","2","1","","Hoff, John J.; Zhu, Lei; Dong, Yutong; Albers, Thomas; Steel, Peter J.; Cui, Xianwei; Wen, Ying; Lebedyeva, Iryna; Miao, Shaobin","Diazapentacene derivatives: synthesis, properties, and structures","RSC Adv.","2016","6","90","86824","","10.1039/C6RA15359C","","x-ray","1.54184","CuKα","","0.1313","0.0967","","","0.251","0.3022","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226558","9.914","0.002","12.182","0.003","12.358","0.003","99.856","0.006","99.466","0.006","107.794","0.006","1362.2","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-(4-(4-chlorobenzoyl)-3-(p-tolyl)isoxazol-5-yl)-9-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate","","- C32 H24 Cl N3 O4 -","- C32 H24 Cl N3 O4 -","- C64 H48 Cl2 N6 O8 -","2","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rawal, Ravindra K.; Kaith, B. S.; Singh, Virender","Metal-free 1,3-dipolar cycloaddition approach towards the regioselective synthesis of β-carboline and isoxazole based molecular hybrids","RSC Adv.","2016","6","91","88066","","10.1039/C6RA15875G","","","0.71073","MoKα","","0.1684","0.0715","","","0.1846","0.2343","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226579","10.538","0.0005","10.8294","0.0006","11.2159","0.0006","78.167","0.005","84.072","0.004","77.604","0.005","1221.2","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 N2 P2 S4 -","- C50 H54 Ag2 N2 P2 S4 -","- C50 H54 Ag2 N2 P2 S4 -","1","0.5","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.0646","0.0445","","","0.1118","0.1299","","","","","","0.968","","","","has coordinates","264413","2021-04-22","12:43:38",""
"7226580","8.8763","0.0015","10.0172","0.0017","11.405","0.002","87.26","0.015","74.873","0.016","76.569","0.014","952.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 N2 S4 -","- C15 H26 N2 S4 -","- C30 H52 N4 S8 -","2","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.1396","0.0936","","","0.3293","0.3757","","","","","","0.837","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226581","8.799","0.005","15.123","0.009","11.633","0.007","90","","108.238","0.009","90","","1470.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Hg N S2 -","- C13 H17 Hg N S2 -","- C52 H68 Hg4 N4 S8 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","0.71073","MoKα","","0.0679","0.0408","","","0.0987","0.1111","","","","","","0.962","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226582","10.2666","0.0002","12.0914","0.0004","14.7203","0.0005","113.488","0.003","94.486","0.002","105.773","0.002","1576.39","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 Cl3 Co N3 S6 -","- C22 H37 Cl3 Co N3 S6 -","- C44 H74 Cl6 Co2 N6 S12 -","2","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.049","0.0471","","","0.1269","0.1288","","","","","","1.027","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226583","12.7159","0.0008","6.4218","0.0004","22.3157","0.0014","90","","104.133","0.006","90","","1767.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 S4 -","- C14 H24 N2 S4 -","- C56 H96 N8 S16 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.0647","0.0508","","","0.1305","0.1448","","","","","","1.011","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226584","8.4525","0.0003","18.6204","0.0006","12.1412","0.0004","90","","106.579","0.004","90","","1831.45","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cu N2 S4 -","- C14 H24 Cu N2 S4 -","- C56 H96 Cu4 N8 S16 -","4","1","","Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.","Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties","RSC Advances","2016","6","96","93867","93880","10.1039/C6RA15186H","","","1.54184","CuKα","","0.0582","0.0563","","","0.1541","0.157","","","","","","1.076","","","","has coordinates","264413","2021-04-22","12:43:39",""
"7226612","23.6442","0.0012","4.2788","0.0002","14.2732","0.0007","90","","90.614","0.004","90","","1443.92","0.12","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P.","Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes – effect of complex formation on sensing behaviour","RSC Adv.","2016","6","94","91265","","10.1039/C6RA19309A","","x-ray","0.71073","MoKα","","0.0586","0.0453","","","","0.1254","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226613","17.5783","0.0003","22.7463","0.0004","25.9258","0.0005","102.255","0.0007","96.1105","0.0007","101.03","0.0007","9825.3","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H114.3 K1.2 La N8.5 Na2 O110 P2 W22 -","- C32.5 K0.666667 La N6.5 O102.833 P2 W22 -","- C97.5 K2 La3 N19.5 O308.5 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0661","0.0563","","","0.1366","0.1433","","","","","","1.044","","","","has coordinates","186765","2020-10-21","18:00:00",""
"7226614","12.826","0.0005","13.3186","0.0005","19.8495","0.0007","103.758","0.0009","93.0038","0.001","97.6501","0.0009","3251.7","0.2","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 Nd O111.6 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","- C17.5 K N3.5 Na Nd O98 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0402","0.0377","","","0.095","0.0974","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226615","12.8341","0.0003","13.2819","0.0003","19.7712","0.0004","103.714","0.0008","93.0424","0.0007","97.6039","0.0007","3232.85","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H122.2 K1.3 N8.3 Na3.2 O115.1 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","- C18 K N3.5 Na1.5 O96 P2 Sm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0476","0.0455","","","0.1216","0.1237","","","","","","1.067","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226616","17.4826","","22.6885","","25.8377","","102.26","","96.378","","100.699","","9719.15","","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C42.5 H120.3 Eu K1.2 N8 Na2 O113 P2 W22 -","- C26.6667 Eu K1.2 N5.33333 O96.3333 P2 W22 -","- C80 Eu3 K3.6 N16 O289 P6 W66 -","3","3","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.069","0.0539","","","0.1275","0.1367","","","","","","1.057","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226617","12.8744","0.0006","13.3048","0.0007","19.7946","0.0009","103.687","0.0013","93.1594","0.0011","97.526","0.0013","3252.9","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H133.2 Gd K1.3 N8.3 Na3.2 O120.6 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","- C17.5 Gd K N3.5 Na1.5 O98.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0771","0.0635","","","0.16","0.1719","","","","","","1.044","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226618","12.8558","0.0004","13.2973","0.0004","19.7631","0.0007","103.706","0.0009","92.9304","0.001","97.5649","0.0009","3241.77","0.18","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H118.2 K1.3 N8.3 Na3.2 O113.1 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","- C20 K N4 Na0.5 O94 P2 Tb W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0548","0.0492","","","0.1196","0.124","","","","","","1.039","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226619","12.8751","0.0006","13.3","0.0007","19.7296","0.001","103.88","0.0013","92.7303","0.0012","97.6425","0.0013","3239.6","0.3","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H117.2 Dy K1.3 N8.3 Na3.2 O112.6 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","- C12.5 Dy K N2.5 Na0.5 O95 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0814","0.071","","","0.1931","0.2111","","","","","","1.113","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226620","12.841","0.0004","13.2876","0.0004","19.8313","0.0006","103.579","0.0009","93.9442","0.0008","97.6353","0.0009","3242.39","0.17","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H109.2 Er K1.3 N8.3 Na3.2 O108.6 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","- C20 Er K N4 Na2 O100.5 P2 W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0435","0.0413","","","0.1071","0.1087","","","","","","1.064","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226621","12.8257","0.0004","13.2693","0.0004","19.832","0.0006","103.605","0.0009","93.8931","0.0009","97.6665","0.001","3233.83","0.17","203","","203","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H119.2 K1.3 N8.3 Na3.2 O113.6 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","- C20 K N4 Na O102.5 P2 Tm W22 -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0386","0.0365","","","0.0899","0.092","","","","","","1.037","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226622","12.8441","0.0003","13.2571","0.0003","19.6876","0.0004","103.795","0.0007","93.0243","0.0007","97.5524","0.0007","3215.05","0.12","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","- C20 K N4 Na O98.5 P2 W22 Yb -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.041","0.04","","","0.1059","0.1069","","","","","","1.069","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226623","12.8442","0.0006","13.2756","0.0006","19.7854","0.0009","103.646","0.0012","93.522","0.0012","97.6179","0.0012","3234.4","0.3","193","","193","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H105.2 K1.3 N8.3 Na3.2 O106 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","- C20 K N4 Na O101.5 P2 W22 Y -","1","1","","Iijima, Jun; Naruke, Haruo; Sanji, Takanobu","On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline","RSC Adv.","2016","6","94","91494","","10.1039/C6RA22278A","","","0.71075","MoKα","","0.0569","0.0517","","","0.1279","0.1327","","","","","","1.058","","","","has coordinates","186766","2020-10-21","18:00:00",""
"7226624","7.3983","0.0009","7.6242","0.0009","11.7823","0.0014","90","","94.006","0.002","90","","662.97","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N10 O10 -","- C6 H2 N10 O10 -","- C12 H4 N20 O20 -","2","0.5","","Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic dinitromethyl group functionalized azofurazan and its azofurazanates","RSC Adv.","2016","6","94","91477","","10.1039/C6RA22007J","","","0.71073","MoKα","","0.0706","0.0418","","","0.0811","0.0903","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226625","7.2868","0.0005","7.7602","0.0005","12.5498","0.0008","90","","90.952","0.001","90","","709.56","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 F2 N10 O10 -","- C6 F2 N10 O10 -","- C12 F4 N20 O20 -","2","0.5","","Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic dinitromethyl group functionalized azofurazan and its azofurazanates","RSC Adv.","2016","6","94","91477","","10.1039/C6RA22007J","","","0.71073","MoKα","","0.0316","0.0298","","","0.0768","0.0783","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226668","7.8102","0.0002","11.8025","0.0003","10.2102","0.0002","90","","90","","90","","941.18","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C36 H64 N4 O8 -","4","1","","Nelyubina, Yu. V.; Ananyev, I. V.; Novikov, V. V.; Lyssenko, K. A.","Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical","RSC Adv.","2016","6","94","91694","","10.1039/C6RA21365K","","","0.71073","MoKα","","0.0402","0.0303","","","0.0735","0.0809","","","","","","1.048","","","","has coordinates","186819","2020-10-21","18:00:00",""
"7226755","10.7017","0.0001","23.314","0.0004","13.8832","0.0002","90","","103.094","0.0009","90","","3373.79","0.08","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl2 N2 O Ru -","- C39 H38 Cl2 N2 O Ru -","- C156 H152 Cl8 N8 O4 Ru4 -","4","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0443","0.0299","","","0.0654","0.0696","","","","","","1.015","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226756","10.2032","0.0002","19.764","0.0005","14.072","0.0003","90","","97.576","0.0013","90","","2812.93","0.11","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl N2 Rh -","- C27 H32 Cl N2 Rh -","- C108 H128 Cl4 N8 Rh4 -","4","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0538","0.0416","","","0.1235","0.1308","","","","","","1.067","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226757","20.1677","0.0006","15.692","0.0004","21.7767","0.0006","90","","100.467","0.0016","90","","6777","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 Cl N2 Rh -","- C37 H38 Cl N2 Rh -","- C296 H304 Cl8 N16 Rh8 -","8","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0703","0.0408","","","0.1025","0.1126","","","","","","1.05","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226758","8.2473","0.0002","18.8543","0.0007","10.5818","0.0003","90","","111.131","0.0017","90","","1534.8","0.08","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H38 Cl N2 Rh -","- C37 H38 Cl N2 Rh -","- C74 H76 Cl2 N4 Rh2 -","2","1","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.0497","0.0392","","","0.0962","0.102","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226759","11.6821","0.0003","16.0026","0.0006","22.6928","0.0009","93.279","0.0019","103.21","0.003","91.676","0.002","4119.4","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H43 Cl2 N2 Rh -","- C47.5 H43 Cl2 N2 Rh -","- C190 H172 Cl8 N8 Rh4 -","4","2","","Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia","Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes","RSC Adv.","2016","6","98","95793","","10.1039/C6RA20608E","","","0.71073","MoKα","","0.1207","0.0649","","","0.1579","0.1803","","","","","","1.037","","","","has coordinates","187226","2020-10-21","18:00:00",""
"7226786","15.2764","0.001","18.6423","0.0012","17.4632","0.0012","90","","95.039","0.004","90","","4954.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 As2 Br Cl3 N2 O2 Ru -","- C53 H42 As2 Br Cl3 N2 O2 Ru -","- C212 H168 As8 Br4 Cl12 N8 O8 Ru4 -","4","1","","Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David","Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes","RSC Adv.","2016","6","99","97107","","10.1039/C6RA19044H","","","0.71073","MoKα","","0.0752","0.0487","","","0.1282","0.1489","","","","","","1.043","","","","has coordinates,has disorder","187301","2020-10-21","18:00:00",""
"7226787","15.5853","0.001","18.629","0.0012","17.3913","0.0011","90","","95.754","0.004","90","","5023.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 As2 Cl3 N2 O3 Ru -","- C54 H45 As2 Cl3 N2 O3 Ru -","- C216 H180 As8 Cl12 N8 O12 Ru4 -","4","1","","Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David","Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes","RSC Adv.","2016","6","99","97107","","10.1039/C6RA19044H","","","0.71073","MoKα","","0.0882","0.0567","","","0.1569","0.1937","","","","","","1.103","","","","has coordinates,has disorder","187301","2020-10-21","18:00:00",""
"7226793","12.8422","0.0012","13.4375","0.0012","17.1011","0.0017","84.713","0.003","87.183","0.003","64.505","0.002","2652.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H57 B Fe N2 P2 -","- C68 H57 B Fe N2 P2 -","- C136 H114 B2 Fe2 N4 P4 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús; Sibilla, Francesca","Preparation of diazoalkane complexes of iron(ii)","RSC Adv.","2016","6","100","97650","","10.1039/C6RA22051G","","","0.71073","MoKα","","0.1264","0.0771","","","0.1202","0.1347","","","","","","1.102","","","","has coordinates","187314","2020-10-21","18:00:00",""
"7226796","4.6484","0.0002","13.9788","0.0007","19.2908","0.0009","105.132","0.002","90.17","0.003","98.42","0.003","1195.88","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 N S8 -","- C53 H57 N S8 -","- C53 H57 N S8 -","1","0.5","","Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn L.","Applying thieno[3,2-b]thiophene as a building block in the design of rigid extended thienoacenes","RSC Adv.","2016","6","99","97420","","10.1039/C6RA18897D","","","0.71073","MoKα","","0.0725","0.0519","","","0.1274","0.133","","","","","","1.153","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226801","12.976","0.0003","9.0107","0.0002","12.2487","0.0003","90","","102.498","0.002","90","","1398.22","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O2 -","- C13 H22 N2 O2 -","- C52 H88 N8 O8 -","4","1","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.0522","0.0373","","","0.0872","0.0947","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226802","10.1045","0.0002","14.8386","0.0003","14.7511","0.0003","90","","103.949","0.001","90","","2146.51","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 N2 O4 Ti -","- C19 H33.43 N2 O4 Ti -","- C76 H133.72 N8 O16 Ti4 -","4","1","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.0441","0.0322","","","0.0816","0.0876","","","","","","1.021","","","","has coordinates,has disorder","187336","2020-10-21","18:00:00",""
"7226803","9.597","0.0003","19.6755","0.0006","9.9008","0.0003","90","","105.588","0.002","90","","1800.76","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl6 N4 O6 Ti2 -","- C28 H42 Cl6 N4 O6 Ti2 -","- C56 H84 Cl12 N8 O12 Ti4 -","2","0.5","","Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo","Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides","RSC Adv.","2016","6","100","97800","","10.1039/C6RA23255H","","","0.71073","MoKα","","0.051","0.0396","","","0.0955","0.1022","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226814","24.576","0.0019","12.416","0.001","18.094","0.001","90","","102.534","0.006","90","","5389.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H132 Cd2 Fe2 N10 Na O38 -","- C84 H76 Cd2 Fe2 N4 Na O30 -","- C168 H152 Cd4 Fe4 N8 Na2 O60 -","2","0.5","","Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang","Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols","RSC Adv.","2016","6","101","98611","","10.1039/C6RA18817F","","","0.71069","MoKα","","0.164","0.0983","","","0.2526","0.2849","","","","","","1.161","","","","has coordinates","187388","2020-10-21","18:00:00",""
"7226815","24.05","0.02","12.458","0.013","18.14","0.03","90","","104.466","0.008","90","","5263","11","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Fe N4 Na O17 Zn -","- C42 H38 Fe N2 Na O13.8 Zn -","- C168 H152 Fe4 N8 Na4 O55.2 Zn4 -","4","1","","Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang","Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols","RSC Adv.","2016","6","101","98611","","10.1039/C6RA18817F","","","0.71073","MoKα","","0.19","0.1","","","0.2424","0.2714","","","","","","1.179","","","","has coordinates","187388","2020-10-21","18:00:00",""
"7226951","7.2285","0.0006","7.6427","0.0009","7.6586","0.0007","62.479","0.01","67.121","0.008","63.114","0.009","325.9","0.07","111","","111","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O4 Pd -","- C14 H18 O4 Pd -","- C14 H18 O4 Pd -","1","0.5","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.0233","0.0231","","","0.0552","0.0552","","","","","","1.094","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7226952","14.4316","0.0005","6.5451","0.0002","15.6537","0.0005","90","","90","","90","","1478.59","0.08","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 O4 Pd -","- C16 H22 O4 Pd -","- C64 H88 O16 Pd4 -","4","0.5","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.0362","0.0269","","","0.0626","0.0671","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226953","24.443","0.007","5.4443","0.0009","23.838","0.008","90","","111.49","0.03","90","","2951.7","1.5","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 O2.5 Pd -","- C15 H25 O2.5 Pd -","- C120 H200 O20 Pd8 -","8","1","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.1141","0.0786","","","0.1772","0.1969","","","","","","1.065","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7226964","15.3316","0.0006","19.0247","0.0005","21.5272","0.0009","78.723","0.003","71.13","0.004","73.949","0.003","5670.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H228 Cl O144 S20 Yb7 -","- C140 H80 Cl O144 S20 Yb7 -","- C140 H80 Cl O144 S20 Yb7 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.2174","0.1521","","","0.3364","0.368","","","","","","1.037","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7226965","17.214","0.003","18.887","0.007","20.574","0.003","77.93","0.02","70.96","0.01","75.49","0.02","6062","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C179 H236 Cl2 O135 S20 Yb4.67 -","- C179 H112 Cl2 O135 S20 Yb4.6666 -","- C179 H112 Cl2 O135 S20 Yb4.6666 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.1989","0.147","","","0.3627","0.3914","","","","","","1.008","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7226966","11.1318","0.0002","17.7181","0.0004","52.0066","0.0012","97.634","0.002","95.167","0.002","100.468","0.002","9928.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C290 H386 Gd4 N16 Na4 O159 S30 -","- C290 H272 Gd4 N16 Na4 O159 S30 -","- C290 H272 Gd4 N16 Na4 O159 S30 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes","RSC Adv.","2016","6","104","102695","","10.1039/C6RA23283C","","","1.54178","CuKα","","0.165","0.1409","","","0.3344","0.3502","","","","","","1.138","","","","has coordinates,has disorder","187683","2020-10-21","18:00:00",""
"7227086","11.9333","0.0003","6.7797","0.0002","12.1298","0.0003","90","","116.667","0.001","90","","876.97","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-1-phenyl-3-(phenylamino)-4-(4-methylphenyl)but-2-en-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0332","0.0299","","","0.0722","0.0745","","","","","","1.066","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227087","5.8282","0.0002","10.3586","0.0003","13.2061","0.0004","77.465","0.002","86.009","0.002","76.595","0.001","756.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C36 H36 Cl2 N2 O2 -","2","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0316","0.0301","","","0.0785","0.0798","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227088","21.4737","0.001","16.0302","0.0008","5.5546","0.0003","90","","90","","90","","1912.05","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.076","0.0472","","","0.1067","0.1208","","","","","","0.997","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227089","12.2036","0.0007","10.1274","0.0005","15.5213","0.0008","90","","93.535","0.003","90","","1914.64","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0466","0.0387","","","0.0994","0.1042","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227090","7.5902","0.0003","14.0682","0.0005","18.3473","0.0007","90","","97.945","0.003","90","","1940.33","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.0454","0.0384","","","0.0992","0.1035","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227171","7.4292","0.0002","10.7679","0.0002","20.5682","0.0004","90","","90","0.001","90","","1645.39","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.05 H16.14 I N O S -","- C16.873 H15.619 I N O S -","- C67.492 H62.476 I4 N4 O4 S4 -","4","1","","Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.","Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite","RSC Adv.","2016","6","112","111472","","10.1039/C6RA23320A","","x-ray","0.71073","MoKα","","0.0473","0.0311","","","0.0755","0.086","","","","","","1.021","","","","has coordinates,has disorder","188660","2020-10-21","18:00:00",""
"7227172","7.7022","0.0008","10.3394","0.0011","11.3339","0.0012","97.09","0.004","99.284","0.004","91.95","0.004","882.61","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 I N O S -","- C18 H18 I N O S -","- C36 H36 I2 N2 O2 S2 -","2","1","","Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.","Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite","RSC Adv.","2016","6","112","111472","","10.1039/C6RA23320A","","","0.71073","MoKα","","0.0285","0.0225","","","0.061","0.0774","","","","","","1.182","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227256","31.935","0.002","31.935","0.002","6.3894","0.0005","90","","90","","120","","5643.2","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C234 H198 N54 Se18 -","18","1","","Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K.","Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides","RSC Adv.","2016","6","115","114224","","10.1039/C6RA24020H","","x-ray","0.71073","MoKα","","0.076","0.0442","","","0.1088","0.1186","","","","","","1.102","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7236027","12.675","0.002","14.423","0.003","9.5745","0.0017","90","","100.568","0.003","90","","1720.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Al12 Mg4 N4 O73 P16 -","- C8 H28 Al12 Mg4 N4 O73 P16 -","- C8 H28 Al12 Mg4 N4 O73 P16 -","1","0.25","","Jiao, Xuejiao; Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","A new magnesium-containing aluminophosphate with a zeolite-like structure","RSC Advances","2016","6","2","1098","","10.1039/C5RA22194C","","","0.71073","MoKα","","0.0754","0.0487","","","0.1287","0.1461","","","","","","0.992","","","","has coordinates","233846","2020-10-21","18:00:00",""
"7236029","15.92","0.0007","11.6967","0.0005","15.9254","0.0006","90","","104.515","0.0015","90","","2870.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(p-hydrocoumaric hydroxamate)3]","","","- C27 H34 Fe N3 O11 -","- C27 H34 Fe N3 O11 -","- C108 H136 Fe4 N12 O44 -","4","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0462","0.0446","","","0.1087","0.1097","","","","","","1.183","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236030","12.4686","0.0006","11.1309","0.0005","17.4694","0.001","90","","94.456","0.003","90","","2417.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe2(hypogallic hydroxamate)4Cl2]","","","- C38 H52 Cl2 Fe2 N4 O20 -","- C38 H52 Cl2 Fe2 N4 O20 -","- C76 H104 Cl4 Fe4 N8 O40 -","2","0.5","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0802","0.0498","","","0.1086","0.1202","","","","","","1.057","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236031","11.1864","0.0004","21.2415","0.0007","25.3894","0.0009","90","","90","","90","","6032.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Fe(3-hydroxybenzoic hydroxamate)3]","","","- C27 H30 Fe N3 O11 -","- C27 H30 Fe N3 O11 -","- C216 H240 Fe8 N24 O88 -","8","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0642","0.048","","","0.1104","0.1162","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236032","23.1974","0.0008","13.7678","0.0008","22.332","0.0011","90","","109.575","0.003","90","","6720.1","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(salicylic hydroxamate)3]","","","- C25.5 H27 Fe N3 O10.5 -","- C25.5 H27 Fe N3 O10.5 -","- C204 H216 Fe8 N24 O84 -","8","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.1097","0.0898","","","0.2531","0.2701","","","","","","1.084","","","","has coordinates","233852","2020-10-21","18:00:00",""
"7236033","16.0853","0.0015","28.696","0.003","7.0062","0.0006","90","","96.758","0.003","90","","3211.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(cinammic hydroxamate)3]","","","- C28.8 H30.2 Fe N3 O7.3 -","- C28.8 H30.2 Fe N3 O7.3 -","- C115.2 H120.8 Fe4 N12 O29.2 -","4","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.1101","0.0729","","","0.1747","0.1899","","","","","","1.105","","","","has coordinates,has disorder","233852","2020-10-21","18:00:00",""
"7236034","12.0485","0.0007","13.291","0.0007","13.4446","0.0007","69.9928","0.0019","78.6474","0.0019","68.339","0.002","1874.03","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","[Fe(eudesmic hydroxamate)3]","","","- C30 H44 Fe N3 O19 -","- C30 H44 Fe N3 O19 -","- C60 H88 Fe2 N6 O38 -","2","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0896","0.06","","","0.1507","0.1622","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236035","17.1427","0.0014","14.5854","0.0013","17.4812","0.0014","90","0.002","100.604","0.002","90","0.002","4296.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Fe N4 O6 -","- C44 H53 Fe N4 O6 -","- C176 H212 Fe4 N16 O24 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71069","MoKα","","0.1924","0.0705","","","0.1486","0.1778","","","","","","0.858","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236036","18.5211","0.001","11.1131","0.0006","12.9945","0.0006","90","","90","","90","","2674.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H27 Co N4 O9 -","- C30 H27 Co N4 O9 -","- C120 H108 Co4 N16 O36 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71069","MoKα","","0.0694","0.0431","","","0.0852","0.0946","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236037","8.9865","0.0009","9.5514","0.0007","14.1428","0.0012","90","","90.203","0.001","90","","1213.92","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71073","MoKα","","0.0557","0.0381","","","0.1076","0.1223","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236038","25.1433","0.0007","25.1433","0.0007","10.6879","0.0003","90","","90","","90","","6756.7","0.3","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C30 H24 Co N6 O6 -","- C30 H24 Co N6 O6 -","- C240 H192 Co8 N48 O48 -","8","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.0464","0.0414","","","0.112","0.1174","","","","","","1.073","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236039","14.5169","0.0009","9.0637","0.0006","18.5938","0.0012","90","","90.689","0.002","90","","2446.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C96 H72 Co4 N12 O36 -","4","1","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1978","0.1178","","","0.2818","0.328","","","","","","1.434","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236040","8.449","0.0005","8.449","0.0005","57.241","0.003","90","","90","","120","","3538.7","0.3","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H22 Co N6 O7 -","- C24 H22 Co N6 O7 -","- C144 H132 Co6 N36 O42 -","6","0.5","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1036","0.0658","","","0.1483","0.1729","","","","","","1.111","","","","has coordinates","233857","2020-10-21","18:00:00",""
"7236041","26.393","0.004","11.0092","0.0015","24.857","0.005","90","","118.483","0.004","90","","6348.4","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 Co F6 N3 O5 -","- C25 H13 Co F6 N3 O5 -","- C200 H104 Co8 F48 N24 O40 -","8","1","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment","RSC Advances","2016","6","30","25149","","10.1039/C5RA26154F","","","0.71073","MoKα","","0.1658","0.1006","","","0.265","0.3034","","","","","","1.945","","","","has coordinates,has disorder","233857","2020-10-21","18:00:00",""
"7236042","16.7245","0.001","11.3341","0.0006","9.6962","0.0005","90","","105.028","0.005","90","","1775.12","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Pandey, Abha; Kumar, Ajit; Vishwakarma, Siddharth; Upadhyay, K. K.","A highly specific ‘turn-on’ fluorescent detection of Mg2+ through a xanthene based fluorescent molecular probe","RSC Advances","2016","6","8","6724","","10.1039/C5RA26531B","","","0.71073","MoKα","","0.0856","0.0515","","","0.1104","0.1321","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236043","14.1362","0.0007","14.3909","0.0005","18.0057","0.0008","66.933","0.004","67.968","0.004","89.57","0.003","3081.9","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N4 O -","- C17 H13 F3 N4 O -","- C136 H104 F24 N32 O8 -","8","4","","Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.","Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate","RSC Advances","2016","6","36","30056","","10.1039/C5RA27032D","","","0.7107","MoKα","","0.081","0.0497","","","0.1046","0.1225","","","","","","1.026","","","","has coordinates,has disorder","233861","2020-10-21","18:00:00",""
"7236044","11.0546","0.0015","19.664","0.003","17.9966","0.0016","90","","105.746","0.01","90","","3765.3","0.9","295","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 F3 N5 O -","- C19 H17 F3 N5 O -","- C152 H136 F24 N40 O8 -","8","1","","Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.","Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate","RSC Advances","2016","6","36","30056","","10.1039/C5RA27032D","","","0.71073","MoKα","","0.1291","0.0406","","","0.0686","0.0729","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236184","14.0391","0.0009","13.7146","0.0008","21.6343","0.0014","90","","105.838","0.002","90","","4007.3","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl F6 Ir N O P3 -","- C41 H42 Cl F6 Ir N O P3 -","- C164 H168 Cl4 F24 Ir4 N4 O4 P12 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.0399","0.0274","","","0.0559","0.0612","","","","","","1.015","","","","has coordinates","235240","2020-10-21","18:00:00",""
"7236185","14.048","0.0004","13.716","0.0006","21.6798","0.0009","90","","105.898","0.002","90","","4017.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl F6 N O P3 Rh -","- C41 H42 Cl F6 N O P3 Rh -","- C164 H168 Cl4 F24 N4 O4 P12 Rh4 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.1018","0.0464","","","0.0981","0.1213","","","","","","1.034","","","","has coordinates","235240","2020-10-21","18:00:00",""
"7236186","17.5194","0.001","12.9278","0.0008","18.8945","0.0011","90","","90","","90","","4279.4","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H48 Cl3 F6 Ir N P3 -","- C40 H46 Cl3 F6 Ir N P3 -","- C160 H184 Cl12 F24 Ir4 N4 P12 -","4","0.5","","Naicker, Dunesha; Friedrich, Holger B.; Pansuriya, Pramod B.","Iridium and rhodium “PNP” aminodiphosphine complexes used as catalysts in the oxidation of styrene","RSC Advances","2016","6","37","31005","","10.1039/C6RA01276K","","","0.71073","MoKα","","0.0649","0.0388","","","0.0881","0.0984","","","","","","1.031","","","","has coordinates,has disorder","235240","2020-10-21","18:00:00",""
"7236187","33.109","0.002","7.952","0.0005","18.4662","0.0012","90","","111.031","0.001","90","","4538","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H24.5 N2.5 O10.5 Zn2 -","- C22 H12 N2 O10 Zn2 -","- C88 H48 N8 O40 Zn8 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Li, Fu-Mei; Liu, Wei-Cong; Li, Bao-Hong; Wang, Jun; Li, Qin-Ling; Yadav, Reena; Kumar, Abhinav","Luminescent sensing from a new Zn(ii) metal‒organic framework","RSC Advances","2016","6","37","31161","","10.1039/C6RA01709F","","","0.71073","MoKα","","0.0451","0.0348","","","0.0934","0.0981","","","","","","1.005","","","","has coordinates,has disorder","235242","2020-10-21","18:00:00",""
"7236188","7.0081","0.0003","13.8198","0.0007","14.2897","0.0008","90","","99.282","0.005","90","","1365.84","0.12","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C12 H12 Cu N2 O6 S -","- C12 H12 Cu N2 O6 S -","- C48 H48 Cu4 N8 O24 S4 -","4","0.5","","Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral","Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties","RSC Advances","2016","6","51","46030","","10.1039/C6RA03493D","","","0.71069","MoKα","","0.0257","0.0243","","0.0273","0.0268","0.0267","","","","","","1.0787","","","","has coordinates","235245","2020-10-21","18:00:00",""
"7236189","7.1854","0.0014","12.877","0.003","13.705","0.003","90","","93.63","0.03","90","","1265.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","BB","","- C15 H10 B F2 N O2 -","- C15 H10 B F2 N O2 -","- C60 H40 B4 F8 N4 O8 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.058","0.0416","","","0.1094","0.1155","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236190","7.7022","0.0015","8.6623","0.0017","21.644","0.004","90","","99.29","0.03","90","","1425.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B2B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.1327","0.0775","","","0.1362","0.1461","","","","","","0.966","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236191","7.1557","0.0014","8.6916","0.0017","22.455","0.005","90","","92.46","0.03","90","","1395.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B3B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.0711","0.0488","","","0.1264","0.1341","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236192","7.1368","0.0014","15.475","0.003","13.122","0.003","90","","103.1","0.03","90","","1411.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B4B","","- C16 H12 B F2 N O3 -","- C16 H12 B F2 N O3 -","- C64 H48 B4 F8 N4 O12 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.1079","0.0493","","","0.1111","0.1313","","","","","","0.927","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236193","8.6901","0.0017","8.0756","0.0016","22.705","0.005","90","","100.06","0.03","90","","1568.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","B24B","","- C17 H14 B F2 N O4 -","- C17 H14 B F2 N O4 -","- C68 H56 B4 F8 N4 O16 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.085","0.0472","","","0.1114","0.1281","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236194","7.7008","0.0015","11.481","0.002","18.166","0.005","90","","104.52","0.03","90","","1554.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","B25B","","- C17 H14 B F2 N O4 -","- C17 H14 B F2 N O4 -","- C68 H56 B4 F8 N4 O16 -","4","1","","Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran","Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism","RSC Advances","2016","6","49","43755","","10.1039/C6RA03722D","","","0.71073","MoKα","","0.0649","0.0452","","","0.1186","0.1278","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236195","11.023","0.002","10.298","0.002","25.687","0.005","90","","100.5","0.03","90","","2867","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N6 Ni S2 -","- C29 H32 N6 Ni S2 -","- C116 H128 N24 Ni4 S8 -","4","1","","Gupta, Rakesh Kumar; Kumar, Vinod; Srivastava, Anchal; Pandey, Daya Shankar","Dipyrrin complex assisted in situ synthesis of ultra-small gold nanoparticles decorated on a partially reduced graphene oxide nanocomposite for efficient catalytic reduction of Cr(vi) to Cr(iii)","RSC Advances","2016","6","47","40911","","10.1039/C6RA03835B","","","0.71073","MoKα","","0.0708","0.0534","","","0.1545","0.1672","","","","","","1.071","","","","has coordinates","235251","2020-10-21","18:00:00",""
"7236196","7.51","0.001","9.471","0.002","11.878","0.002","85.63","0.03","79.47","0.04","68.96","0.03","775.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ClPBA + Theophylline","","","- C13 H14 B Cl N4 O4 -","- C13 H14 B Cl N4 O4 -","- C26 H28 B2 Cl2 N8 O8 -","2","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0924","0.0753","","","0.1845","0.1947","","","","","","1.161","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236197","7.475","0.0001","9.623","0.002","11.957","0.003","87.25","0.01","80.94","0.01","71.63","0.01","806.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","IPBA + Theophylline","","","- C13 H14 B I N4 O4 -","- C13 H14 B I N4 O4 -","- C26 H28 B2 I2 N8 O8 -","2","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0653","0.0597","","","0.1522","0.1583","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236198","12.858","0.003","8.2154","0.0017","14.199","0.003","90","","98.03","0.004","90","","1485.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HPBA + Theophylline","","","- C13 H15 B N4 O5 -","- C13 H15 B N4 O5 -","- C52 H60 B4 N16 O20 -","4","1","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.0575","0.0456","","","0.1397","0.1461","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236199","8.528","0.002","8.711","0.002","9.661","0.003","109.74","0.01","94.47","0.01","104.78","","642.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-benezenediboronic acid+ theophylline","","","- C20 H24 B2 N8 O8.5 -","- C20 H24 B2 N8 O8.5 -","- C20 H24 B2 N8 O8.5 -","1","0.5","","TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R.","Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids","RSC Advances","2016","6","49","43060","","10.1039/C6RA04100K","","","0.71073","MoKα","","0.098","0.0773","","","0.1681","0.177","","","","","","1.209","","","","has coordinates","235253","2020-10-21","18:00:00",""
"7236200","7.683","0.004","12.17","0.006","13.064","0.006","85.699","0.006","81.017","0.007","86.489","0.006","1201.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B F2 N2 O2 -","- C31 H23 B F2 N2 O2 -","- C62 H46 B2 F4 N4 O4 -","2","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.1144","0.0721","","","0.187","0.2199","","","","","","1.033","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236201","12.1936","0.0018","15.062","0.002","12.2515","0.0018","90","","97.131","0.002","90","","2232.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 B F4 N2 -","- C29 H17 B F4 N2 -","- C116 H68 B4 F16 N8 -","4","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.0873","0.0517","","","0.1215","0.1418","","","","","","0.999","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236202","10.2591","0.001","10.3442","0.001","12.7331","0.0012","96.535","0.001","104.574","0.001","104.618","0.001","1242.6","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 B F2 N2 O2 -","- C31 H23 B F2 N2 O2 -","- C62 H46 B2 F4 N4 O4 -","2","1","","Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores","RSC Advances","2016","6","57","52180","","10.1039/C6RA04412C","","","0.71073","MoKα","","0.0704","0.0483","","","0.1151","0.1291","","","","","","1.007","","","","has coordinates","235258","2020-10-21","18:00:00",""
"7236203","12.1894","0.0009","9.6526","0.0007","20.0169","0.0017","90","","109.306","0.006","90","","2222.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl N3 O -","- C26 H18 Cl N3 O -","- C104 H72 Cl4 N12 O4 -","4","1","","Shu, Ke; Shao, Jiaan; Li, Hong; Chen, Binhui; Tang, Pai; Liu, Xingyu; Chen, Wenteng; Yu, Yongping","Base-mediated synthesis of highly functionalized 2-aminonicotinonitriles from α-keto vinyl azides and α,α-dicyanoalkenes","RSC Advances","2016","6","54","49123","","10.1039/C6RA04669J","","","0.71073","MoKα","","0.0906","0.0512","","","0.1103","0.1309","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236204","14.6904","0.0008","13.1346","0.0006","12.3812","0.0006","90","","114.424","0.007","90","","2175.2","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","1","","Gao, Lingfeng; Fu, Kai; Zheng, Gengxiu","Quickly FeCl3-catalyzed highly chemo- and stereo-selective [3 + 2] dipolar cycloaddition of aziridines with isothiocyanates","RSC Advances","2016","6","53","47192","","10.1039/C6RA04923K","","","1.54184","CuKα","","0.0601","0.0491","","","0.144","0.1591","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236205","10.0198","0.0016","14.171","0.003","21.521","0.004","70.946","0.006","78.528","0.008","70.905","0.007","2714.9","0.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H67 F6 Fe N4 O10 P -","- C53 H67 F6 Fe N4 O10 P -","- C106 H134 F12 Fe2 N8 O20 P2 -","2","1","","Yu, Gilbert; Suzaki, Yuji; Osakada, Kohtaro","Ferrocene-containing [1]-, [2]-, [3]- and [4]rotaxanes synthesized from a common precursor","RSC Advances","2016","6","47","41369","","10.1039/C6RA05688A","","","0.7107","MoKα","","","0.0516","","","","0.1543","","","","","","1.035","","","","has coordinates","235264","2020-10-21","18:00:00",""
"7236206","15.042","0.005","11.404","0.004","32.856","0.01","90","","95.094","0.005","90","","5614","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C256 H128 S48 -","16","2","","Huang, Wei; Zhu, Haoyun; Huang, Yuli; Yang, Junwei; Wang, Weizhi","Controllable synthesis of conjugated thio-phenylethyne-based compounds with different chain lengths","RSC Advances","2016","6","46","40343","","10.1039/C6RA05709H","","","0.71073","MoKα","","0.1181","0.0881","","","0.198","0.2094","","","","","","1.067","","","","has coordinates","235266","2020-10-21","18:00:00",""
"7236207","31.81","0.006","14.993","0.003","13.22","0.003","90","","96.01","0.03","90","","6270","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H0 Eu N5 O8 -","- C23 Eu N5 O8 -","- C184 Eu8 N40 O64 -","8","1","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0842","0.0596","","","0.1638","0.1852","","","","","","1.092","","","","has coordinates","235268","2020-10-21","18:00:00",""
"7236208","32.118","0.003","15.2133","0.0017","13.1789","0.0014","90","","95.256","0.002","90","","6412.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H0 La2 N11 O17 -","- C49 La2 N11 O17 -","- C196 La8 N44 O68 -","4","0.5","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0947","0.0582","","","0.1634","0.1886","","","","","","1.007","","","","has coordinates,has disorder","235268","2020-10-21","18:00:00",""
"7236209","31.6491","0.0017","14.9143","0.0009","13.2656","0.0007","90","","96.466","0.001","90","","6221.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H0 N5 O8 Tb -","- C23 N5 O8 Tb -","- C184 N40 O64 Tb8 -","8","1","","Wang, Di; Sun, Libo; Hao, Chuanqing; Yan, Yan; Liang, Zhiqiang","Lanthanide metal‒organic frameworks based on a 1,2,3-triazole-containing tricarboxylic acid ligand for luminescence sensing of metal ions and nitroaromatic compounds","RSC Advances","2016","6","63","57828","","10.1039/C6RA06303A","","","0.71073","MoKα","","0.0997","0.0664","","","0.1969","0.2234","","","","","","1.066","","","","has coordinates","235268","2020-10-21","18:00:00",""
"7236210","9.9204","0.0004","11.2869","0.0004","13.6057","0.0006","69.094","0.003","76.462","0.003","77.265","0.003","1367.79","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (1'S,2'S,3R)-1''-butyl-5''-methyl-2,2''-dioxo-1'-phenyl-1'',2'',5',6',7',7a'-hexahydro-1'H-dispiro[indoline-3,3'-pyrrolizine-2',3''-pyrrole]-4''-carboxylate","","- C31 H35 N3 O4 -","- C31 H35 N3 O4 -","- C62 H70 N6 O8 -","2","1","","Cores, Ángel; Estévez, Verónica; Villacampa, Mercedes; Menéndez, J. Carlos","Three-component access to 2-pyrrolin-5-ones and their use in target-oriented and diversity-oriented synthesis","RSC Advances","2016","6","45","39433","","10.1039/C6RA06317A","","","1.54178","CuKα","","0.1601","0.1261","","","0.3169","0.3544","","","","","","1.957","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236211","11.4898","0.0008","8.3928","0.0008","20.0409","0.0017","90","","94.127","0.008","90","","1927.6","0.3","295.2","0.8","295.2","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP-BIN-8","","- C20 H15 Cl N4 O6 -","- C20 H15 Cl N4 O6 -","- C80 H60 Cl4 N16 O24 -","4","1","","Dam, Binoyargha; Saha, Mithu; Jamatia, Ramen; Pal, Amarta Kumar","Nano-ferrite supported glutathione as a reusable nano-organocatalyst for the synthesis of phthalazine-trione and dione derivatives under solvent-free conditions","RSC Advances","2016","6","60","54768","","10.1039/C6RA06376D","","","0.71073","MoKα","","0.0892","0.0586","","","0.1642","0.1889","","","","","","1.113","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236212","53.119","0.008","5.8356","0.0006","9.0022","0.0013","90","","95.343","0.015","90","","2778.4","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H6 F26 S2 -","- C26 H6 F26 S2 -","- C104 H24 F104 S8 -","4","0.5","","Martínez-Tong, Daniel E.; Gbabode, Gabin; Ruzié, Christian; Chattopadhyay, Basab; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Sferrazza, Michele","Self-assembled π-conjugated organic nanoplates: from hexagonal to triangular motifs","RSC Advances","2016","6","50","44921","","10.1039/C6RA06431K","","","1.5418","CuKα","","0.0995","0.0628","","","0.163","0.2022","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236213","7.619","0.002","9.692","0.003","15.884","0.005","75.952","0.005","79.091","0.005","71.433","0.005","1070.6","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C48 H52 N12 -","2","1","","Kumar, Avnish; Shinde, Sundar S.; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Palladium catalyzed domino reaction of 1,4-disubstituted 1,2,3-triazoles via double C–H functionalization: one-pot synthesis of triazolo[1,5-f]phenanthridines","RSC Advances","2016","6","49","43638","","10.1039/C6RA06755G","","","0.71073","MoKα","","0.1166","0.0906","","","0.2623","0.2933","","","","","","0.998","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236214","10.6863","0.0005","11.6232","0.0006","11.9288","0.0006","76.255","0.001","64.109","0.001","88.571","0.001","1289.5","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","7-Nitro-3-phenyl-3a,8b-dihydrofuro[3,2-b]benzofuran","","- C6.5 H6.5 N6.5 O6.5 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","2","","Hu, Xiao-Hui; Pu, Xiao-Qiu; Liu, Rui; Cui, Chun-Xiao; Yang, Jun; Yang, Xian-Jin","A facile access to cis-dihydrofurobenzofuran from 2-(2,5-dihydro-furan-2-yl)-phenol","RSC Advances","2016","6","63","58613","","10.1039/C6RA06840E","","","0.71073","MoKα","","0.0592","0.0406","","","0.111","0.1289","","","","","","1.04","","","","has coordinates","235277","2020-10-21","18:00:00",""
"7236215","9.795","0.005","22.599","0.005","7.252","0.005","90","0.005","105.001","0.005","90","0.005","1550.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Highly stable naphthalene core based novel cleft-shaped strain molecule: influence of intermolecular H-bonding architectures","RSC Advances","2016","6","64","59574","","10.1039/C6RA06855C","","","0.71073","MoKα","","0.0654","0.045","","","0.0998","0.1123","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236216","16.3005","0.0007","6.3588","0.0002","6.4725","0.0003","90","","90","","90","","670.89","0.05","153","2","153","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C H2 Ag2 N8 -","- C H4 Ag2 N8 -","- C4 H16 Ag8 N32 -","4","0.5","","Qu, Xiaoni; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","High performance 5-aminotetrazole-based energetic MOF and its catalytic effect on decomposition of RDX","RSC Advances","2016","6","52","46212","","10.1039/C6RA07301H","","","0.71073","MoKα","","0.0444","0.0426","","","0.211","0.2145","","","","","","1.833","","","","has coordinates","235280","2020-10-21","18:00:00",""
"7236217","14.7833","0.0003","11.8128","0.0003","30.1691","0.0008","90","","100.552","0.002","90","","5179.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N3 O3 Re -","- C30 H19 Cl N3 O3 Re -","- C240 H152 Cl8 N24 O24 Re8 -","8","2","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0385","0.0266","","","0.0512","0.0544","","","","","","1.04","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236218","9.4121","0.0006","20.5407","0.0009","11.8912","0.0007","90","","104.084","0.006","90","","2229.8","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cl2 N3 O3 Re -","- C24 H14 Cl2 N3 O3 Re -","- C96 H56 Cl8 N12 O12 Re4 -","4","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.054","0.0387","","","0.0677","0.0716","","","","","","1.106","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236219","9.4203","0.0006","20.6584","0.0008","11.8992","0.0007","90","","104.218","0.006","90","","2244.7","0.2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Br Cl N3 O3 Re -","- C24 H14 Br Cl N3 O3 Re -","- C96 H56 Br4 Cl4 N12 O12 Re4 -","4","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0581","0.0451","","","0.0971","0.1036","","","","","","1.085","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236220","7.2934","0.0003","11.1958","0.0006","15.1296","0.0006","91.434","0.004","92.141","0.003","107.978","0.004","1173.41","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N4 O3 Re -","- C26 H20 Cl N4 O3 Re -","- C52 H40 Cl2 N8 O6 Re2 -","2","1","","Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr","Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines","RSC Advances","2016","6","61","56335","","10.1039/C6RA08981J","","","0.71073","MoKα","","0.0409","0.0309","","","0.0646","0.0863","","","","","","1.143","","","","has coordinates","235282","2020-10-21","18:00:00",""
"7236221","17.2707","0.0005","26.2035","0.0008","12.8526","0.0004","90","","98.014","0.002","90","","5759.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hamada_167_19_10_15","","","- C30 H19 Cl4 N5 O2 -","- C30 H19 Cl4 N5 O2 -","- C240 H152 Cl32 N40 O16 -","8","2","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","1.54178","","","0.1869","0.089","","","0.2411","0.3199","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236222","25.9316","0.0014","10.1997","0.0006","25.1998","0.0018","90","","104.459","0.007","90","","6454.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3s","","","- C30 H29 Cl2 N7 O3 S3 -","- C30 H29 Cl2 N7 O3 S3 -","- C240 H232 Cl16 N56 O24 S24 -","8","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","0.0618","0.0477","","","0.1411","0.1551","","","","","","1.122","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236223","16.9635","0.0011","22.4316","0.0007","13.2574","0.0004","90","","98.895","0.007","90","","4984","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F2 N5 O2 -","- C30 H21 F2 N5 O2 -","- C240 H168 F16 N40 O16 -","8","2","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","","0.0548","","","","0.1437","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236224","27.31","0.003","12.2123","0.0012","8.398","0.0008","90","","91.531","0.006","90","","2799.9","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 F2 N5 O2 -","- C32 H25 F2 N5 O2 -","- C128 H100 F8 N20 O8 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction","RSC Advances","2016","6","58","52700","","10.1039/C6RA09210A","","","0.71075","MoKα","","","0.0539","","","","0.1741","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236225","8.1459","0.0005","10.9387","0.0005","17.8507","0.0009","88.824","0.004","88.463","0.004","88.991","0.004","1589.46","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl2 N8 O8 Ru -","- C30 H26 Cl2 N8 O8 Ru -","- C60 H52 Cl4 N16 O16 Ru2 -","2","1","","Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita","Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1–3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions","RSC Advances","2016","6","67","62310","","10.1039/C6RA09566F","","","0.71073","MoKα","","0.1003","0.0903","","","0.2689","0.2838","","","","","","1.166","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236226","13.0588","0.0003","13.0588","0.0003","31.5888","0.0011","90","","90","","120","","4665.2","0.2","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","[Ru(bpy)2(dpa)](BF4)","","- C30 H24 B F4 N7 Ru -","- C30 H24 B F4 N7 Ru -","- C180 H144 B6 F24 N42 Ru6 -","6","1","","Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita","Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1‒3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions","RSC Advances","2016","6","67","62310","","10.1039/C6RA09566F","","","0.71073","MoKα","","0.0982","0.0879","","","0.2427","0.2582","","","","","","1.108","","","","has coordinates","235286","2020-10-21","18:00:00",""
"7236227","11.555","0.004","10.932","0.004","20.204","0.007","90","","92.21","0.003","90","","2550.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 Ag2 N10 O6 -","- C52 H60 Ag2 N10 O6 -","- C104 H120 Ag4 N20 O12 -","2","0.5","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0316","0.028","","","0.0775","0.0799","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236228","9.0046","0.0004","12.9691","0.0009","13.8963","0.0009","70.317","0.006","79.808","0.005","73.946","0.005","1462.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Ag N4 O3 -","- C34 H31 Ag N4 O3 -","- C68 H62 Ag2 N8 O6 -","2","1","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0489","0.0365","","","0.0736","0.0813","","","","","","1.05","","","","has coordinates","235288","2020-10-21","18:00:00",""
"7236229","18.7281","0.0016","8.7563","0.0007","17.4903","0.0015","90","","92.334","0.001","90","","2865.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Ag2 N4 O5 -","- C30 H32 Ag2 N4 O5 -","- C120 H128 Ag8 N16 O20 -","4","0.5","","Zhang, Han; Xu, Yuling; Wu, Huilu; Aderinto, Stephen Opeyemi; Fan, Xuyang","Mono-, bi- and multi-nuclear silver complexes constructed from bis(benzimidazole)-2-oxapropane ligands and methacrylate: syntheses, crystal structures, DNA-binding properties and antioxidant activities","RSC Advances","2016","6","87","83697","","10.1039/C6RA09733B","","","0.71073","MoKα","","0.0267","0.0248","","","0.0636","0.069","","","","","","1.113","","","","has coordinates","235288","2020-10-21","18:00:00",""
"7236230","19.2891","0.0014","35.214","0.003","12.0446","0.0009","90","","90","","90","","8181.3","1.1","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Y -","- C10 H28 N2 Na O16 Y -","- C160 H448 N32 Na16 O256 Y16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0776","0.0749","","","0.1985","0.201","","","","","","1.013","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236231","35.4573","0.0008","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Dy N2 Na O16 -","- C10 H28 Dy N2 Na O16 -","- C160 H448 Dy16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0571","0.057","","","0.136","0.1361","","","","","","1.056","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236232","35.4574","0.0009","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 H28 Eu N2 Na O16 -","- C160 H448 Eu16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0214","0.0213","","","0.0545","0.0545","","","","","","1.205","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236233","35.306","0.003","19.2934","0.0015","12.0542","0.001","90","","90","","90","","8211","1.2","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Tb -","- C10 H28 N2 Na O16 Tb -","- C160 H448 N32 Na16 O256 Tb16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0335","0.0333","","","0.0846","0.0847","","","","","","1.296","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236234","11.954","0.002","9.278","0.0018","12.604","0.002","90","","93.422","0.003","90","","1395.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Hu, Jiadong; Xu, Dongyang; Zhang, Qiang; Shang, Yang; Shi, Mumin; Huangfu, Yucui; Liu, Leilei; Rong liang, Rong liang; Lai, Yisheng; He, Yupeng; Gao, Jin-ming; Xie, Weiqing","Tandem allylic alcohol isomerization/oxo-Michael addition reaction promoted by Re2O7","RSC Advances","2016","6","58","52583","","10.1039/C6RA10399E","","","0.71073","MoKα","","0.2297","0.1489","","","0.4068","0.4561","","","","","","1.46","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236235","8.8854","0.0004","11.6472","0.0005","16.093","0.0006","90","","101.034","0.002","90","","1634.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu3 N6 O10 -","- C34 H32 Cu3 N6 O10 -","- C68 H64 Cu6 N12 O20 -","2","0.5","","Datta, Amitabha; Das, Kuheli; Mane, Sandeep B.; Mendiratta, Shruti; El Fallah, Mohamed Salah; Garribba, Eugenio; Bauzá, Antonio; Frontera, Antonio; Hung, Chen-Hsiung; Sinha, Chittaranjan","A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization","RSC Advances","2016","6","60","54856","","10.1039/C6RA10674A","","","0.71073","MoKα","","0.0435","0.0309","","","0.0669","0.0726","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236236","13.594","0.004","14.583","0.003","15.223","0.003","117.706","0.011","91.142","0.011","108.782","0.016","2477.2","1.1","100","","100","","","","","","","","fungus Fusarium decemcellulare LG53","4","P 1","P 1","1","","","","- C30 H55 N5 O5 -","- C30 H55 N5 O5 -","- C90 H165 N15 O15 -","3","3","","Li, Gang; Kusari, Souvik; Golz, Christopher; Strohmann, Carsten; Spiteller, Michael","Three cyclic pentapeptides and a cyclic lipopeptide produced by endophytic Fusarium decemcellulare LG53","RSC Advances","2016","6","59","54092","","10.1039/C6RA10905E","","","1.54178","CuKα","","0.0501","0.0461","","","0.1148","0.1187","","","","","","1.05","","","","has coordinates","235296","2020-10-21","18:00:00",""
"7236237","11.9179","0.0014","12.1517","0.0014","15.1464","0.0018","102.667","0.002","92.928","0.002","100.128","0.001","2097.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47 Cu4 N5 O12 -","- C42 H47 Cu4 N5 O12 -","- C84 H94 Cu8 N10 O24 -","2","1","","Mitra, Merry; Kundu, Tanay; Kaur, Gurpreet; Sharma, Gyaneswar; Choudhury, Angshuman Roy; Singh, Yogesh; Ghosh, Rajarshi","Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(ii) complex","RSC Advances","2016","6","63","58831","","10.1039/C6RA11433D","","","0.71073","MoKα","","0.0345","0.0272","","","0.0644","0.068","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236238","9.0291","0.0001","14.3287","0.0003","14.8824","0.0003","90","","90","","90","","1925.41","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0231","0.0226","","","0.0589","0.0595","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236239","10.0012","0.0012","10.368","0.001","12.5874","0.0017","90","","90","","90","","1305.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0242","0.0239","","","0.0619","0.0621","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236240","10.1661","0.0006","8.2577","0.0004","10.5397","0.0006","90","","102.382","0.006","90","","864.21","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0585","0.0569","","","0.1498","0.1525","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236241","13.4929","0.0002","15.4584","0.0002","16.6251","0.0004","90","","123.758","0.001","90","","2882.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N2 P Se -","- C31 H33 N2 P Se -","- C124 H132 N8 P4 Se4 -","4","1","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","","1.54184","CuKα","","0.0574","0.05","","","0.1407","0.1494","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236242","10.204","0.004","16.193","0.007","17.708","0.007","65.515","0.014","85.943","0.012","73.318","0.014","2546.8","1.8","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C41 H58 Ca N3 O P Se Si2 -","- C41 H58 Ca N3 O P Se Si2 -","- C82 H116 Ca2 N6 O2 P2 Se2 Si4 -","2","1","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","x-ray","0.71073","MoKα","","0.1289","0.0879","","","0.2587","0.2821","","","","","","1.148","","","","has coordinates","235303","2020-10-21","18:00:00",""
"7236243","22.6518","0.0006","10.3398","0.0002","25.6988","0.0007","90","","115.912","0.003","90","","5413.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Ca N4 P2 S2 -","- C62 H64 Ca N4 P2 S2 -","- C248 H256 Ca4 N16 P8 S8 -","4","0.5","","Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann","Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis","RSC Advances","2016","6","63","57835","","10.1039/C6RA13117D","","","1.54184","CuKα","","0.0421","0.0372","","","0.0967","0.1017","","","","","","1.05","","","","has coordinates","235303","2020-10-21","18:00:00",""
"7236244","7.7545","0.0013","8.7537","0.0013","13.97","0.0011","75.507","0.01","83.103","0.01","65.615","0.015","836.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cl4 Cu2 N6 O12 -","- C28 H30 Cl4 Cu2 N6 O12 -","- C28 H30 Cl4 Cu2 N6 O12 -","1","0.5","","Adak, Piyali; Ghosh, Bipinbihari; Bauzá, Antonio; Frontera, Antonio; Blake, Alexander J.; Corbella, Montserrat; Das Mukhopadhyay, Chitrangada; Chattopadhyay, Shyamal Kumar","Catecholase activity, DNA binding and cytotoxicity studies of a Cu(ii) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies","RSC Advances","2016","6","90","86851","","10.1039/C6RA14059A","","x-ray","1.54184","CuKα","","0.061","0.0572","","","0.154","0.159","","","","","","1.043","","","","has coordinates","235305","2020-10-21","18:00:00",""
"7236245","8.4757","0.0006","23.0572","0.0018","9.7935","0.0008","90","","103.534","0.005","90","","1860.8","0.3","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O2 S2 -","- C17 H24 N4 O2 S2 -","- C68 H96 N16 O8 S8 -","4","1","","Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir","Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","RSC Advances","2016","6","93","90371","","10.1039/C6RA15181G","","","0.71073","MoKα","","0.0631","0.0437","","","0.1092","0.1222","","","","","","1.028","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236246","16.3801","0.0011","10.1789","0.0007","24.6397","0.0019","90","","107.967","0.004","90","","3907.9","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N4 O2 S2 -","- C20 H22 N4 O2 S2 -","- C160 H176 N32 O16 S16 -","8","1","","Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir","Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","RSC Advances","2016","6","93","90371","","10.1039/C6RA15181G","","","0.71073","MoKα","","0.0399","0.0327","","","0.0828","0.0876","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236247","12.3881","0.0002","13.1663","0.0002","13.5475","0.0002","81.201","0.001","64.451","0.002","81.228","0.002","1960.84","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H70 N4 O4 P4 Ru -","- C92 H70 N4 O4 P4 Ru -","- C92 H70 N4 O4 P4 Ru -","1","0.5","","Shen, Chang; Yu, Fei; Chu, Wing-Kin; Xiang, Jing; Tan, Peng; Luo, Ya; Feng, Hua; Guo, Zheng-Qing; Leung, Chi-Fai; Lau, Tai-Chu","Synthesis, structures and photophysical properties of luminescent cyanoruthenate(ii) complexes with hydroxylated bipyridine and phenanthroline ligands","RSC Advances","2016","6","90","87389","","10.1039/C6RA16319J","","","0.71073","MoKα","","0.0455","0.0375","","","0.1047","0.1079","","","","","","1.085","","","","has coordinates","235310","2020-10-21","18:00:00",""
"7236248","9.5781","0.0006","20.6594","0.0012","25.4364","0.0015","109.328","0.002","94.237","0.002","101.367","0.002","4603.5","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C113 H84 N10 O6 P4 Ru2 -","- C113 H84 N10 O6 P4 Ru2 -","- C226 H168 N20 O12 P8 Ru4 -","2","1","","Shen, Chang; Yu, Fei; Chu, Wing-Kin; Xiang, Jing; Tan, Peng; Luo, Ya; Feng, Hua; Guo, Zheng-Qing; Leung, Chi-Fai; Lau, Tai-Chu","Synthesis, structures and photophysical properties of luminescent cyanoruthenate(ii) complexes with hydroxylated bipyridine and phenanthroline ligands","RSC Advances","2016","6","90","87389","","10.1039/C6RA16319J","","","0.71073","MoKα","","0.0683","0.0445","","","0.1052","0.1173","","","","","","0.951","","","","has coordinates,has disorder","235310","2020-10-21","18:00:00",""
"7236249","13.813","","33.186","","13.971","","90","","118.69","","90","","5618.03","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H40 K3 O67 -","- C72 H40 K3 O67 -","- C144 H80 K6 O134 -","2","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.08","0.075","","","0.2096","0.217","","","","","","1.056","","","","has coordinates","235312","2020-10-21","18:00:00",""
"7236250","9.3667","0.0008","20.0172","0.0014","25.3123","0.0018","90","","90","","90","","4745.9","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H14 O31 -","- C36 H14 O31 -","- C144 H56 O124 -","4","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.1297","0.1003","","","0.2653","0.2911","","","","","","1.026","","","","has coordinates,has disorder","235312","2020-10-21","18:00:00",""
"7236251","13.971","0.005","9.619","0.005","27.144","0.005","90","0.005","101.106","0.005","90","0.005","3579","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H25.5 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Liu, Dan; Zhang, Na; Zhang, Xinyu; Kong, Shuai; Yu, Jianhua; Wu, Zhichao; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","New zinc(ii) dyes with enhanced two-photon absorption cross sections based on the imidazolyl ligand","RSC Advances","2016","6","81","77849","","10.1039/C6RA16817E","","","0.71069","MoKα","","0.0656","0.0388","","","0.0869","0.0991","","","","","","1.006","","","","has coordinates","235315","2020-10-21","18:00:00",""
"7236252","10.1732","0.001","7.3747","0.0007","19.0117","0.0019","90","","94.747","0.002","90","","1421.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 B F2 N2 O2 -","- C16 H13 B F2 N2 O2 -","- C64 H52 B4 F8 N8 O8 -","4","1","","Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille","Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes","RSC Advances","2016","6","89","86352","","10.1039/C6RA19246G","","x-ray","0.71073","MoKα","","0.042","0.0357","","","0.0977","0.1022","","","","","","1.061","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236253","7.9203","0.0002","10.4738","0.0003","16.8627","0.0006","90","","90","","90","","1398.86","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Chen, Zhengwang; Wen, Yuelu; Luo, Guotian; Ye, Min; Wang, Qinghao","Transition-metal-free C–C bond cleavage and formation: efficient synthesis of 2,3-diarylimidazo[1,2-α]pyridines from 2-aminopyridines and alkynoates","RSC Advances","2016","6","89","86464","","10.1039/C6RA19291B","","","0.71073","MoKα","","0.0838","0.0553","","","0.1258","0.1409","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236254","14.437","0.0012","15.0453","0.0012","9.43","0.0008","90","","122.287","0.0009","90","","1731.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","LiMM4411","","","- C10 H28 Li N O9 S2 -","- C10 H28 Li N O9 S2 -","- C40 H112 Li4 N4 O36 S8 -","4","1","","Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik","Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes","RSC Advances","2016","6","88","85194","","10.1039/C6RA19623C","","","0.71073","MoKα","","0.0354","0.0302","","","0.0642","0.0672","","","","","","1.072","","","","has coordinates","235321","2020-10-21","18:00:00",""
"7236255","29.6781","0.0016","10.9086","0.0006","9.8067","0.0005","90","","104.142","0.0006","90","","3078.7","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NaMM4411","","","- C10 H22 N Na O7 S2 -","- C10 H22 N Na O7 S2 -","- C80 H176 N8 Na8 O56 S16 -","8","1","","Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik","Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes","RSC Advances","2016","6","88","85194","","10.1039/C6RA19623C","","","0.71073","MoKα","","0.0462","0.0359","","","0.1228","0.1398","","","","","","1.051","","","","has coordinates","235321","2020-10-21","18:00:00",""
"7236256","29.155","0.003","11.0593","0.0013","31.58","0.005","90","","115.607","0.002","90","","9182","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38.5 N2.5 O19 Tb3 -","- C44 H32.5 N2.5 O16 Tb3 -","- C352 H260 N20 O128 Tb24 -","8","1","","Zhang, Mengfei; Han, Jing; Wu, Haipeng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Tb-MOF: a naked-eye and regenerable fluorescent probe for selective and quantitative detection of Fe3+and Al3+ions","RSC Advances","2016","6","97","94622","","10.1039/C6RA20359K","","","0.71073","MoKα","","0.076","0.0422","","","0.096","0.1097","","","","","","1.01","","","","has coordinates,has disorder","235326","2020-10-21","18:00:00",""
"7236257","10.3931","0.0006","11.4141","0.0007","12.5948","0.0008","90","","100.798","0.006","90","","1467.64","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl F N O3 -","- C15 H15 Cl F N O3 -","- C60 H60 Cl4 F4 N4 O12 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0482","0.0418","","","0.1086","0.1129","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236258","14.5283","0.0009","6.1794","0.0004","17.9542","0.0014","90","","101.022","0.007","90","","1582.13","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl2 N O4 -","- C14 H15 Cl2 N O4 -","- C56 H60 Cl8 N4 O16 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0684","0.0563","","","0.1889","0.2059","","","","","","0.824","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236259","4.5426","0.0005","16.585","0.002","22.273","0.003","90","","92.979","0.012","90","","1675.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C64 H84 N4 O24 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.1088","0.0757","","","0.1671","0.1848","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236260","6.2728","0.0006","9.4396","0.0011","26.241","0.004","90","","90","","90","","1553.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N O4 -","- C15 H18 Cl N O4 -","- C60 H72 Cl4 N4 O16 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0643","0.0508","","","0.1096","0.1163","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236261","11.8566","0.0005","19.7359","0.0008","26.2178","0.001","90","","100.164","0.004","90","","6038.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Mo5 N8 O34 P2 Zn2 -","- C36 H36 Mo5 N8 O34 P2 Zn2 -","- C144 H144 Mo20 N32 O136 P8 Zn8 -","4","1","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0942","0.0731","","","0.1708","0.1789","","","","","","1.127","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236262","16.674","0.0004","15.927","0.0003","19.1977","0.0004","90","","90","","90","","5098.27","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Mo8 N8 O26 Zn2 -","- C36 H36 Mo8 N8 O26 Zn2 -","- C144 H144 Mo32 N32 O104 Zn8 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0291","0.0214","","","0.0472","0.0495","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236263","16.7082","0.0003","15.9095","0.0003","19.2987","0.0003","90","","90","","90","","5129.96","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Co2 Mo8 N8 O26 -","- C36 H36 Co2 Mo8 N8 O26 -","- C144 H144 Co8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.034","0.0237","","","0.0508","0.0547","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236264","11.2559","0.0004","24.1685","0.0011","25.7463","0.0009","90","","100.287","0.004","90","","6891.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Mo12 N9 Ni2 O43 P -","- C42 H42 Mo12 N9 Ni2 O43 P -","- C168 H168 Mo48 N36 Ni8 O172 P4 -","4","1","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","1.54184","CuKα","","0.0935","0.0525","","","0.1122","0.1315","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236265","12.2553","0.0004","15.3666","0.0004","15.4604","0.0005","90","","110.489","0.004","90","","2727.35","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Mo8 N8 Ni2 O28 -","- C36 H40 Mo8 N8 Ni2 O28 -","- C72 H80 Mo16 N16 Ni4 O56 -","2","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0634","0.0692","","","","","","1.0559","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236266","14.4947","0.0006","15.7549","0.0004","15.8183","0.0006","99.314","0.003","116.519","0.004","91.546","0.003","3169.4","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","- C72 H99 Cr3 Cu4 Mo18 N16 O76 -","1","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","x-ray","0.71073","MoKα","","0.0392","0.028","","","0.061","0.0651","","","","","","1.021","","","","has coordinates,has disorder","235331","2020-10-21","18:00:00",""
"7236267","16.876","0.0003","15.908","0.0003","18.9788","0.0003","90","","90","","90","","5095.11","0.15","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 Mo8 N8 O26 -","- C36 H36 Cu2 Mo8 N8 O26 -","- C144 H144 Cu8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic–inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0386","0.026","","","0.0521","0.0582","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236268","8.33","0.0017","22.67","0.005","16.96","0.003","90","","100.4","0.03","90","","3150.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl5 Cr N3 -","- C29 H32 Cl5 Cr N3 -","- C116 H128 Cl20 Cr4 N12 -","4","1","","Zhang, Youfu; Huang, Chuanbing; Hao, Xiang; Hu, Xinquan; Sun, Wen-Hua","Accessing highly linear polyethylenes by 2-(1-aryliminoethyl)-7-arylimino-6,6-dimethylcyclopenta[b]pyridylchromium(iii) chlorides","RSC Advances","2016","6","94","91401","","10.1039/C6RA21914D","","","0.71073","MoKα","","0.1164","0.1035","","","0.191","0.1987","","","","","","1.0441","","","","has coordinates","235334","2020-10-21","18:00:00",""
"7236269","10.8752","0.0005","32.4799","0.0013","10.9891","0.0004","90","","98.199","0.003","90","","3842","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl3 N2 O3 Re -","- C18 H12 Cl3 N2 O3 Re -","- C144 H96 Cl24 N16 O24 Re8 -","8","2","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0631","0.0494","","","0.0965","0.1008","","","","","","1.115","","","","has coordinates","235336","2020-10-21","18:00:00",""
"7236270","6.6848","0.0005","20.9252","0.0016","12.6551","0.0007","90","","100.71","0.007","90","","1739.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 Cl4 N2 O3 Re -","- C15 H5 Cl4 N2 O3 Re -","- C60 H20 Cl16 N8 O12 Re4 -","4","1","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0801","0.0566","","","0.1067","0.1122","","","","","","1.233","","","","has coordinates,has disorder","235336","2020-10-21","18:00:00",""
"7236271","8.3105","0.0003","9.7851","0.0004","12.3202","0.0005","84.319","0.003","85.261","0.003","67.529","0.004","920.16","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 Cl2 N3 O3 Re -","- C17 H10 Cl2 N3 O3 Re -","- C34 H20 Cl4 N6 O6 Re2 -","2","1","","Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena","Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability","RSC Advances","2016","6","114","112908","","10.1039/C6RA23935H","","","0.71073","MoKα","","0.0404","0.0298","","","0.0484","0.0512","","","","","","0.971","","","","has coordinates","235336","2020-10-21","18:00:00",""
"7236272","7.8023","0.0003","19.2183","0.0008","16.1293","0.0006","90","","91.994","0.004","90","","2417.07","0.16","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N5 O14 Y Zn -","- C18 H20 N5 O14 Y Zn -","- C72 H80 N20 O56 Y4 Zn4 -","4","1","","Long, Jérôme; Mamontova, Ekaterina; Freitas, Vania; Luneau, Dominique; Vieru, Veacheslav; Chibotaru, Liviu F.; Ferreira, Rute A. S.; Félix, Gautier; Guari, Yannick; Carlos, Luis D.; Larionova, Joulia","Study of the influence of magnetic dilution over relaxation processes in a Zn/Dy single-ion magnet by correlation between luminescence and magnetism","RSC Advances","2016","6","110","108810","","10.1039/C6RA24115H","","x-ray","0.71073","MoKα","","0.0474","0.0368","","","0.0915","0.0982","","","","","","1.0509","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236273","9.0364","0.00025","18.7601","0.0005","7.32887","0.00012","90","","105.84","0.0013","90","","1195.24","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N2 O4 -","- C11 H15 N2 O4 -","- C44 H60 N8 O16 -","4","1","","Udagawa, Akihiro; Johnston, Priscilla; Sakon, Aya; Toyoshima, Ryosuke; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Crystal-to-crystal photo-reversible polymerization mechanism of bis-thymine derivative","RSC Advances","2016","6","109","107317","","10.1039/C6RA24229D","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","0.08759","","4.58","","","","","","","has coordinates","235340","2020-10-21","18:00:00",""
"7236643","32.8","0.002","32.8","0.002","32.8","0.002","90","","90","","90","","35288","4","270","2","270","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C30 H30 N0.03 O10 S8 Zr -","- C17.05 H6.5 N3.324 O4.5 S1.5 Zr0.75 -","- C545.6 H208 N106.368 O144 S48 Zr24 -","32","0.166667","","He, Yonghe; Hou, Yun-Long; Wong, Yan-Lung; Xiao, Ran; Li, Mu-Qing; Hao, Zhifeng; Huang, Jian; Wang, Lei; Zeller, Matthias; He, Jun; Xu, Zhengtao","Improving stability against desolvation and mercury removal performance of Zr(iv)‒carboxylate frameworks by using bulky sulfur functions","Journal of Materials Chemistry A","2018","6","4","1648","","10.1039/C7TA06118H","","","0.71073","MoKα","","0.0766","0.0542","","","0.1721","0.1865","","","","","","1.197","","","","has coordinates,has disorder","236378","2020-10-21","18:00:00",""
"7236659","7.2661","0.0009","7.419","0.0009","16.444","0.002","91.005","0.003","102.408","0.004","98.557","0.002","854.98","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","1","0.5","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.0997","0.0603","","","0.1373","0.1535","","","","","","1.021","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236660","17.987","0.007","7.44","0.002","27.623","0.01","90","","105.357","0.013","90","","3565","2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PBI","Perylene bisimide","","- C41 H34 Cl2 N2 O4 S -","- C41 H34 Cl2 N2 O4 S -","- C164 H136 Cl8 N8 O16 S4 -","4","1","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.2004","0.167","","","0.4684","0.4976","","","","","","2.313","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236661","4.5053","0.0005","10.492","0.0013","12.3817","0.0017","83.323","0.004","82.161","0.005","85.293","0.004","574.57","0.12","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O4 -","- C6 H6 N10 O4 -","- C12 H12 N20 O8 -","2","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1252","0.0592","","","0.0901","0.1064","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236662","12.9567","0.0012","6.4248","0.0008","9.6417","0.001","90","","90","","90","","802.62","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C16 H8 N32 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.0964","0.0498","","","0.0801","0.0926","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236663","45.902","0.005","3.5862","0.0004","8.3346","0.0009","90","","90","","90","","1372","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H13 N15 O4 -","- C6 H13 N15 O4 -","- C24 H52 N60 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1317","0.0584","","","0.0817","0.0981","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236664","15.6882","0.0015","4.8817","0.0005","16.3623","0.0017","90","","118.492","0.004","90","","1101.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N12 O4 -","- C5 H8 N12 O4 -","- C20 H32 N48 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.094","0.0447","","","0.0804","0.0955","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236665","17.1503","0.0011","17.1503","0.0011","25.6245","0.0019","90","","90","","120","","6527.2","0.8","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C36 H23 N6 O16 Sc3 -","- C36 H18 N6 O16 Sc3 -","- C72 H36 N12 O32 Sc6 -","2","0.0833333","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1905","0.1183","","","0.3236","0.3783","","","","","","1.093","","","","has coordinates,has disorder","236399","2020-10-21","18:00:00",""
"7236666","8.8618","0.0004","48.6247","0.0016","14.5573","0.0006","90","","102.581","0.004","90","","6122.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 N3 O6 Sc -","- C18 H9 N3 O6 Sc -","- C144 H72 N24 O48 Sc8 -","8","1","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal–organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1053","0.0899","","","0.2508","0.2704","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7236667","17.993","0.001","17.993","0.001","24.7387","0.0011","90","","90","","120","","6936.1","0.6","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C36 H23 Cl3 Cu1.5 N6 O16 Sc3 -","- C36 H18 Cl3 Cu1.5 N6 O16 Sc3 -","- C72 H36 Cl6 Cu3 N12 O32 Sc6 -","2","0.166667","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.0614","","","0.1703","0.1891","","","","","","0.952","","","","has coordinates","236399","2020-10-21","18:00:00",""
"7236668","10.8498","0.0004","10.8498","0.0004","12.7484","0.0005","90","","90","","90","","1500.72","0.1","304.5","","304.5","","","","","","","","","3","I 41 m d","I 4bw -2","109","triptycene tribenzoquinone","9,10-dihydro-9,10-o-Benzenoanthracene-1,4,5,8,13,16-hexone","","- C20 H8 O6 -","- C20 H8 O6 -","- C80 H32 O24 -","4","0.25","","Kwon, Ji Eon; Hyun, Chang-Seok; Ryu, Young Jun; Lee, Joungphil; Min, Dong Joo; Park, Moon Jeong; An, Byeong-Kwan; Park, Soo Young","Triptycene-based quinone molecules showing multi-electron redox reactions for large capacity and high energy organic cathode materials in Li-ion batteries","Journal of Materials Chemistry A","2018","6","7","3134","","10.1039/C7TA09968A","","","0.71073","MoKα","","0.0544","0.0394","","","0.0875","0.0942","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236669","12.19692","0.00022","12.19692","","30.1482","0.0007","90","","90","","120","","3884.12","0.11","300","","300","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","HPM-1","STW zeolite","","- C9 F Ge5.36 N2 O20 Si4.64 -","- C9 F Ge5.358 N2 O20 Si4.642 -","- C54 F6 Ge32.148 N12 O120 Si27.852 -","6","0.5","","Lu, Peng; Gómez-Hortigüela, Luis; Xu, Lei; Camblor, Miguel A.","Synthesis of STW zeolites using imidazolium-based dications of varying length","Journal of Materials Chemistry A","2018","6","4","1485","","10.1039/C7TA10002G","powder diffraction","x-ray","0.56383","","","","","","","","","0.06662","","2.23","","","","","","","has coordinates","236404","2020-10-21","18:00:00",""
"7236670","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236671","18.6674","0.0003","18.6674","0.0003","23.4138","0.0007","90","","90","","120","","7065.9","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28 H20 Cu2 O11 -","- C168 H120 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.0851","0.0662","","","0.229","0.2471","","","","","","1.048","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236672","18.6086","0.0003","18.6086","0.0003","23.4526","0.0007","90","","90","","120","","7033.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C29 H18 Cu2 O11 -","- C174 H108 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1137","0.0842","","","0.25","0.2696","","","","","","1.189","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236673","17.7174","0.0011","17.7174","0.0011","22.4865","0.0018","90","","90","","90","","7058.7","0.8","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H8 N0 O28 S4 Zr3 -","- C24 H8 O28 S4 Zr3 -","- C96 H32 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.115","0.0714","","","0.1898","0.2149","","","","","","0.939","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236674","17.526","0.003","17.526","0.003","22.893","0.003","90","","90","","90","","7031.8","1.9","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C27 H8 N1.8 O28 S4 Zr3 -","- C27 H8 N1.8 O28 S4 Zr3 -","- C108 H32 N7.2 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.1287","0.0896","","","0.2333","0.2752","","","","","","1.006","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236675","25.881","0.002","9.9835","0.0007","13.1167","0.0009","90","","110.523","0.002","90","","3174","0.4","293","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Co Mo N8 O4 -","- C36 H28 Co Mo N8 O4 -","- C144 H112 Co4 Mo4 N32 O16 -","4","0.5","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.0402","0.0303","","","0.0869","0.0911","","","","","","1.158","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236676","12.5972","0.0013","13.873","0.0015","14.9094","0.0016","62.703","0.002","76.533","0.002","82.775","0.002","2251.2","0.4","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Mo N8 Ni O5 -","- C36 H28 Mo N8 Ni O4 -","- C72 H56 Mo2 N16 Ni2 O8 -","2","1","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.1027","0.0549","","","0.1328","0.1493","","","","","","0.858","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236677","17.13","0.003","6.839","0.0011","27.832","0.005","90","","93.85","0.006","90","","3253.2","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H N11 O14 -","- C7 H N11 O14 -","- C56 H8 N88 O112 -","8","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","1.54178","CuKα","","0.059","0.0514","","","0.1283","0.1321","","","","","","1.045","","","","has coordinates,has disorder","236417","2020-10-21","18:00:00",""
"7236678","7.3543","0.0003","9.0468","0.0003","10.7236","0.0004","105.618","0.001","94.529","0.001","108.899","0.001","639.19","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 K N8 O9 -","- C6 H3 K N8 O9 -","- C12 H6 K2 N16 O18 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0454","0.0338","","","0.0814","0.0885","","","","","","1.044","","","","has coordinates","236417","2020-10-21","18:00:00",""
"7236679","6.7723","0.001","10.2479","0.0015","13.471","0.002","90","","103.86","0.005","90","","907.7","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H14 N16 O8 -","- C8 H14 N16 O8 -","- C16 H28 N32 O16 -","2","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0702","0.0413","","","0.111","0.1273","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236680","24.534","0.007","3.7499","0.0009","18.811","0.005","90","","122.434","0.006","90","","1460.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N12 O9 -","- C6 H12 N12 O9 -","- C24 H48 N48 O36 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.1332","0.0665","","","0.1527","0.1835","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236681","14.9001","0.0005","19.3837","0.0006","19.5935","0.0006","90","","90","","90","","5659","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","none","","","- C20 H28.5 In N2.5 O11 S2 -","- C20 H25.5 In N2.5 O11 S2 -","- C160 H204 In8 N20 O88 S16 -","8","1","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.074","0.0635","","","0.1592","0.1672","","","","","","1.062","","","","has coordinates,has disorder","236420","2020-10-21","18:00:00",""
"7236682","13.6387","0.0006","13.6387","0.0006","15.1597","0.0016","90","","90","","90","","2819.9","0.3","100","2","100","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","none","","","- C12.25 H8 Cs In O9.75 S2 -","- C12 H4 Cs In O8 S2 -","- C48 H16 Cs4 In4 O32 S8 -","4","0.5","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.1424","0.093","","","0.2028","0.2321","","","","","","1.038","","","","has coordinates","236420","2020-10-21","18:00:00",""
"7236699","20.42","0.005","7.929","0.002","29.104","0.008","90","","91.616","0.006","90","","4710","2","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C200 H168 N8 O40 -","8","1","","Zhang, Yanhui; Ma, Lin; Tang, Chunchao; Pan, Shengnan; Shi, Donglei; Wang, Shaojing; Li, Minyong; Guo, Yuan","A highly sensitive and rapidly responding fluorescent probe based on a rhodol fluorophore for imaging endogenous hypochlorite in living mice","Journal of Materials Chemistry B","2018","6","5","725","","10.1039/C7TB02862H","","","0.71073","MoKα","","0.1456","0.0701","","","0.1842","0.23","","","","","","0.982","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236863","9.3224","0.0007","21.5654","0.0017","8.081","0.0005","90","","100.337","0.006","90","","1598.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","He, Zuozheng; Cai, Xinyi; Wang, Zhiheng; Li, Yunchuan; Xu, Zhida; Liu, Kunkun; Chen, Dongcheng; Su, Shi-Jian","Sky-blue thermally activated delayed fluorescence material employing a diphenylethyne acceptor for organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","1","36","","10.1039/C7TC02763J","","x-ray","1.54184","CuKα","","0.0492","0.043","","","0.111","0.1152","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236888","11.6728","0.0013","11.6728","0.0013","17.818","0.002","90","","90","","90","","2427.8","0.5","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Cd N10 -","- C18 Cd N10.2 -","- C72 Cd4 N40.8 -","4","0.125","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0628","0.0468","","","0.1256","0.1543","","","","","","1.103","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236889","16.3047","0.0004","16.3047","0.0004","17.6047","0.0005","90","","90","","90","","4680.1","0.2","300","","300","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Cd N10 -","- C17.9996 H7 Cd N10 -","- C143.997 H56 Cd8 N80 -","8","1","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0466","0.0358","","","0.0941","0.1011","","","","","","1.06","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236890","16.2377","0.0006","15.5366","0.0006","17.4934","0.0007","90","","90.722","0.002","90","","4412.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cd N10 -","- C18 H28 Cd N10 -","- C144 H224 Cd8 N80 -","8","2","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0493","0.0354","","","0.0812","0.0857","","","","","","1.0498","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236922","9.5781","0.0007","10.7829","0.0008","30.413","0.002","90","","90","","90","","3141","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B10 -","- C34 H34 B10 -","- C136 H136 B40 -","4","1","","Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei","Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state","Journal of Materials Chemistry C","2018","6","1","19","","10.1039/C7TC03780E","","","0.71073","MoKα","","0.0538","0.045","","","0.1273","0.1396","","","","","","0.97","","","","has coordinates","236637","2020-10-21","18:00:00",""
"7236923","21.566","0.004","10.668","0.002","19.897","0.004","90","","100.659","0.005","90","","4498.6","1.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B20 -","- C42 H48 B20 -","- C168 H192 B80 -","4","1","","Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei","Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state","Journal of Materials Chemistry C","2018","6","1","19","","10.1039/C7TC03780E","","","0.71073","MoKα","","0.1584","0.0932","","","0.2049","0.2379","","","","","","1.078","","","","has coordinates","236637","2020-10-21","18:00:00",""
"7236925","8.1836","0.0002","8.4919","0.0002","13.1439","0.0003","101.046","0.002","99.302","0.002","96.025","0.002","875.96","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 S Se3 -","- C6 H4 S Se3 -","- C24 H16 S4 Se12 -","4","2","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","0.71073","MoKα","","0.0625","0.0354","","","0.0766","0.087","","","","","","1.024","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236926","12.4011","0.0008","3.8012","0.0003","18.4421","0.0013","90","","104.179","0.007","90","","842.86","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 N4 S Se3 -","- C18 H8 N4 S Se3 -","- C36 H16 N8 S2 Se6 -","2","0.5","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","1.5418","CuKα","","0.0604","0.0562","","","0.1732","0.175","","","","","","1.403","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236927","7.7902","0.0002","8.6288","0.0003","14.5566","0.0004","100.073","0.003","105.219","0.003","96.116","0.003","917.58","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 O8 S Se3 -","- C14 H12 O8 S Se3 -","- C28 H24 O16 S2 Se6 -","2","1","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","1.5418","CuKα","","0.0374","0.0323","","","0.0994","0.1007","","","","","","1.321","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236931","16.96","0.0009","9.8296","0.0005","9.9981","0.0009","90","","101.847","0.007","90","","1631.28","0.19","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C6 H12 Cu3 I3 N3 O P -","- C6 H12 Cu3 I3 N3 O P -","- C24 H48 Cu12 I12 N12 O4 P4 -","4","0.5","","Jaros, Sabina W.; Sokolnicki, Jerzy; Wołoszyn, Aleksandra; Haukka, Matti; Kirillov, Alexander M.; Smoleński, Piotr","A novel 2D coordination network built from hexacopper(i)-iodide clusters and cagelike aminophosphine blocks for reversible “turn-on” sensing of aniline","Journal of Materials Chemistry C","2018","6","7","1670","","10.1039/C7TC03863A","","","1.54184","CuKα","","0.0844","0.0814","","","0.213","0.2189","","","","","","1.05","","","","has coordinates","236646","2020-10-21","18:00:00",""
"7236932","13.1045","0.0014","21.445","0.002","10.3406","0.0011","90","","90.654","0.002","90","","2905.8","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 -","- C36 H39 N3 -","- C144 H156 N12 -","4","1","","Ruiz, C.; Arrechea-Marcos, I.; Benito-Hernández, A.; Gutierrez-Puebla, E.; Monge, M. A.; López Navarrete, J. T.; Ruiz Delgado, M. C.; Ortiz, R. Ponce; Gómez-Lor, Berta","Solution-processed N-trialkylated triindoles for organic field effect transistors","Journal of Materials Chemistry C","2018","6","1","50","","10.1039/C7TC03866F","","","0.71073","MoKα","","0.2605","0.1192","","","0.1943","0.242","","","","","","1.187","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236933","15.3638","0.0019","26.471","0.003","8.4581","0.0008","90","","94.961","0.007","90","","3427","0.7","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 N3 -","- C42 H51 N3 -","- C168 H204 N12 -","4","1","","Ruiz, C.; Arrechea-Marcos, I.; Benito-Hernández, A.; Gutierrez-Puebla, E.; Monge, M. A.; López Navarrete, J. T.; Ruiz Delgado, M. C.; Ortiz, R. Ponce; Gómez-Lor, Berta","Solution-processed N-trialkylated triindoles for organic field effect transistors","Journal of Materials Chemistry C","2018","6","1","50","","10.1039/C7TC03866F","","","1.54178","CuKα","","0.1194","0.084","","","0.2446","0.2819","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236936","14.8064","0.0006","14.966","0.0004","14.0417","0.0004","90","","90","","90","","3111.54","0.18","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Co Dy N10 O8 -","- C26 H28 Co Dy N10 O8 -","- C104 H112 Co4 Dy4 N40 O32 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0178","0.0145","","","0.0285","0.0288","","","","","","0.894","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7236937","14.8508","0.0009","15.1527","0.001","14.0756","0.001","90","","90","","90","","3167.4","0.4","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Dy N10 O8 Rh -","- C26 H28 Dy N10 O8 Rh -","- C104 H112 Dy4 N40 O32 Rh4 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0542","0.0456","","","0.067","0.0689","","","","","","1.113","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7236944","7.1883","0.0005","13.2447","0.0009","15.0899","0.001","74.083","0.002","85.474","0.002","85.631","0.002","1375.04","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4,9,12-tetrakis(triethylsilylethynyl)-cyclobuta[1,2-b:3,4-b']diphenazine","","- C56 H68 N4 Si4 -","- C56 H68 N4 Si4 -","- C56 H68 N4 Si4 -","1","0.5","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1499","0.0819","","","0.2116","0.2545","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236945","11.3043","0.0005","12.8623","0.0007","13.6784","0.0007","66.8512","0.0015","71.1741","0.0014","70.6227","0.0014","1682.2","0.15","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","2,3,10,11-tetrakis(triisopropylsilylethynyl)-cyclobuta[1,2-b:3,4-b']diphenazine","","- C68 H92 N4 Si4 -","- C68 H92 N4 Si4 -","- C68 H92 N4 Si4 -","1","0.5","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1003","0.072","","","0.1997","0.2252","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236946","7.6974","0.0005","38.404","0.002","11.924","0.0008","90","","100.979","0.0018","90","","3460.4","0.4","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(triisopropylsilylethynyl)phenazine","","- C34 H48 N2 Si2 -","- C34 H48 N2 Si2 -","- C136 H192 N8 Si8 -","4","1","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1265","0.0778","","","0.2028","0.2377","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236950","41.098","0.004","42.182","0.004","26.733","0.002","90","","127.812","0.002","90","","36613","6","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cluster-1","","- C372 H484 Cd24 N24 O144 Sm8 -","- C372 H484 Cd24 N24 O144 Sm8 -","- C744 H968 Cd48 N48 O288 Sm16 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1833","0.1194","","","0.2966","0.3541","","","","","","1.125","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236951","41.397","0.004","42.1","0.005","26.794","0.003","90","","127.792","0.003","90","","36902","7","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cluster-3","","- C372 H484 Cd24 N24 O144 Yb8 -","- C372 H484 Cd24 N24 O144 Yb8 -","- C744 H968 Cd48 N48 O288 Yb16 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1746","0.1138","","","0.2955","0.3495","","","","","","1.133","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236952","41.274","0.003","42.043","0.003","26.7288","0.0017","90","","127.692","0.002","90","","36703","5","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","cluster-2","","- C372 H484 Cd24 Er8 N24 O144 -","- C372 H484 Cd24 Er8 N24 O144 -","- C744 H968 Cd48 Er16 N48 O288 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1305","0.0764","","","0.2037","0.2357","","","","","","0.934","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236953","24.7784","0.0011","40.9518","0.0017","27.8972","0.0014","90","","111.891","0.003","90","","26267","2","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cluster-4","","- C360 H468 Cd22 Er8 N24 O138 -","- C360 H468 Cd22 Er8 N24 O138 -","- C720 H936 Cd44 Er16 N48 O276 -","2","0.5","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1902","0.0914","","","0.2181","0.2448","","","","","","0.954","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236969","7.6238","0.0015","11.162","0.002","14.418","0.003","70.743","0.003","82.69","0.003","78.468","0.003","1132.4","0.4","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H23 N5 -","- C30 H23 N5 -","- C60 H46 N10 -","2","1","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.0585","0.0463","","","0.1111","0.118","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236970","7.661","0.003","10.946","0.005","14.26","0.006","72.721","0.005","84.178","0.006","77.936","0.005","1115.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N5 O -","- C29 H21 N5 O -","- C58 H42 N10 O2 -","2","1","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.1318","0.0999","","","0.2999","0.3365","","","","","","1.204","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236971","7.9989","0.0016","11.385","0.002","25.451","0.005","84.99","0.03","89.04","0.03","77.47","0.03","2253.9","0.8","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 N6 -","- C29 H22 N6 -","- C116 H88 N24 -","4","2","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.1363","0.1029","","","0.2798","0.3085","","","","","","1.167","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236976","9.0589","0.0004","5.6406","0.0002","9.4634","0.0004","90","","90.244","0.004","90","","483.55","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","2","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0325","0.0306","","","0.0724","0.0738","","","","","","1.022","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236977","9.3971","0.0008","5.6764","0.0006","9.3171","0.0011","90","","90","","90","","496.99","0.09","460","2","460","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","0.5","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0444","0.0388","","","0.1048","0.1106","","","","","","1.113","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236978","13.1358","0.0008","14.0526","0.0006","28.8957","0.0013","90","","97.657","0.006","90","","5286.4","0.5","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H46 Cl3 N O -","- C69 H46 Cl3 N O -","- C276 H184 Cl12 N4 O4 -","4","0.5","","Bian, Mengying; Zhao, Zifeng; Li, Yu; Li, Qing; Chen, Zhijian; Zhang, Dongdong; Wang, Shufeng; Bian, Zuqiang; Liu, Zhiwei; Duan, Lian; Xiao, Lixin","A combinational molecular design to achieve highly efficient deep-blue electrofluorescence","Journal of Materials Chemistry C","2018","6","4","745","","10.1039/C7TC04685E","","","0.71073","MoKα","","0.0882","0.0558","","","0.1276","0.1474","","","","","","1.042","","","","has coordinates,has disorder","236685","2020-10-21","18:00:00",""
"7236980","8.7574","0.0018","12.692","0.003","17.8","0.004","74.09","0.03","79.79","0.03","77.08","0.03","1840.2","0.8","153.15","","153.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 Cl2 F6 Ir N5 O P -","- C35 H33 Cl2 F6 Ir N5 O P -","- C70 H66 Cl4 F12 Ir2 N10 O2 P2 -","2","1","","He, Lei; Lan, Ying; Ma, Dongxin; Song, Xiangzhi; Duan, Lian","Fluorine-free, highly efficient, blue-green and sky-blue-emitting cationic iridium complexes and their use for efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","6","1509","","10.1039/C7TC04747A","","","0.71073","MoKα","","0.0572","0.0529","","","0.1439","0.1588","","","","","","1.109","","","","has coordinates","236689","2020-10-21","18:00:00",""
"7236981","14.518","0.003","13.853","0.003","18.94","0.004","90","","94.98","0.03","90","","3794.8","1.4","153","2","153.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl4 F6 Ir N6 P -","- C34 H32 Cl4 F6 Ir N6 P -","- C136 H128 Cl16 F24 Ir4 N24 P4 -","4","1","","He, Lei; Lan, Ying; Ma, Dongxin; Song, Xiangzhi; Duan, Lian","Fluorine-free, highly efficient, blue-green and sky-blue-emitting cationic iridium complexes and their use for efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","6","1509","","10.1039/C7TC04747A","","","0.71073","MoKα","","0.0652","0.0593","","","0.1618","0.1805","","","","","","1.19","","","","has coordinates,has disorder","236689","2020-10-21","18:00:00",""
"7236985","14.2812","0.0013","19.295","0.002","7.9526","0.0011","90","","90","","90","","2191.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","NA-15C5","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","1.54178","CuKα","","0.059","0.0499","","","0.1488","0.1577","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236986","14.5581","0.0003","15.8079","0.0003","18.635","0.0004","90","","102.203","0.002","90","","4191.63","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NAPM-o","","- C45 H55 N2 O4 P -","- C45 H55 N2 O4 P -","- C180 H220 N8 O16 P4 -","4","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","0.71073","MoKα","","0.129","0.1215","","","0.3738","0.3838","","","","","","3.097","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236987","6.8722","0.0003","12.146","0.0005","15.6701","0.0005","109.07","0.003","91.048","0.003","106.353","0.003","1177.38","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","NAIF","","- C28 H22 F N3 O2 -","- C28 H22 F N3 O2 -","- C56 H44 F2 N6 O4 -","2","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","1.54178","CuKα","","0.0631","0.053","","","0.152","0.1627","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236988","9.3357","0.0005","14.2823","0.0008","16.5623","0.0008","75.638","0.005","89.724","0.004","76.795","0.005","2079.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","NAPM-y","","- C45 H55 N2 O4 P -","- C45 H55 N2 O4 P -","- C90 H110 N4 O8 P2 -","2","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","0.71073","MoKα","","0.0816","0.072","","","0.2103","0.2156","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236989","10.3403","0.00013","10.3403","0.00013","10.3403","0.00013","90","","90","","90","","1105.6","0.02","299.5","0.8","299.5","0.8","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Fe Na -","- Cl6 Cs2 Fe Na -","- Cl24 Cs8 Fe4 Na4 -","4","0.0208333","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0186","0.0184","","","0.0921","0.0924","","","","","","0.902","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236990","12.0861","0.0005","7.4271","0.0003","9.8187","0.0004","90","","90","","90","","881.37","0.06","299","0.6","299","0.6","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs Fe -","- Br4 Cs Fe -","- Br16 Cs4 Fe4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0933","0.0679","","","0.2006","0.2255","","","","","","1.08","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236991","7.5427","0.0008","7.5427","0.0008","18.5849","0.0013","90","","90","","120","","915.68","0.15","298.6","0.3","298.6","0.3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Br9 Cs3 Fe2 -","- Br9 Cs3 Fe2 -","- Br18 Cs6 Fe4 -","2","0.0833333","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0573","0.0445","","","0.1502","0.1637","","","","","","1.172","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236992","14.6652","0.0003","10.4144","0.0002","7.511","0.0002","90","","90","","90","","1147.15","0.04","298.8","0.3","298.8","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br5 Cs2 Fe H0.25 O -","- Br5 Cs2 Fe H2 O -","- Br20 Cs8 Fe4 H8 O4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0916","0.0816","","","0.2927","0.3075","","","","","","1.163","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236993","10.607","0.002","7.3468","0.0014","13.38","0.003","90","","93.482","0.002","90","","1040.7","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0341","0.0323","","","0.0817","0.0831","","","","","","0.97","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7236994","10.651","0.007","7.572","0.002","26.926","0.007","90","","90","","90","","2171.6","1.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1558","0.1502","","","0.456","0.4611","","","","","","2.144","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7236995","10.45","0.003","7.501","0.002","26.893","0.008","90","","90.056","0.004","90","","2108","1","175","2","175","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1231","0.1172","","","0.2768","0.2792","","","","","","1.292","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7236996","10.3963","0.0012","7.4549","0.0008","26.803","0.003","90","","91.0564","0.0016","90","","2077","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0371","0.0363","","","0.0883","0.0887","","","","","","1.175","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7236998","12.5822","0.0007","12.8932","0.0008","16.027","0.0011","85.197","0.002","89.683","0.0019","67.1866","0.0014","2387.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H40 Cl4 N6 -","- C59 H40 Cl4 N6 -","- C118 H80 Cl8 N12 -","2","1","","Kim, Kwang Jong; Kim, Gyeong Heon; Lampande, Raju; Ahn, Dae Hyun; Im, Joon Beom; Moon, Ji Su; Lee, Jae Kyun; Lee, Jae Yeol; Lee, Ju Young; Kwon, Jang Hyuk","A new rigid diindolocarbazole donor moiety for high quantum efficiency thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2018","6","6","1343","","10.1039/C7TC04852A","","","0.71075","MoKα","","0.1485","0.0579","","","0.1433","0.197","","","","","","1.098","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236999","5.7639","0.0002","8.7962","0.0004","26.1501","0.0012","90","","95.237","0.002","90","","1320.29","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Cl4 N3 Pb -","- C6 H13 Cl4 N3 Pb -","- C24 H52 Cl16 N12 Pb4 -","4","1","","Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Wang, Sasa; Zhao, Sangen; Zhang, Weichuan; Li, Lina; Luo, Junhua","Broadband white-light emission with a high color rendering index in a two-dimensional organic‒inorganic hybrid perovskite","Journal of Materials Chemistry C","2018","6","5","1171","","10.1039/C7TC04868H","","","0.71073","MoKα","","0.0409","0.0291","","","0.0627","0.069","","","","","","1.026","","","","has coordinates","236704","2020-10-21","18:00:00",""
"7237000","8.9113","0.0007","5.387","0.0005","11.2599","0.0008","90","","90","","90","","540.53","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.31 Cu1.69 Eu In -","- Ag3.308 Cu1.692 Eu In -","- Ag13.232 Cu6.768 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.029","0.0212","","","0.0372","0.0391","","","","","","1.08","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237001","8.9764","0.0003","5.4247","0.0002","11.1792","0.0004","90","","90","","90","","544.36","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.94 Cu1.06 Eu In -","- Au3.943 Cu1.057 Eu In -","- Au15.772 Cu4.228 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0455","0.0329","","","0.0621","0.0656","","","","","","1.053","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237002","8.8585","0.0013","5.3061","0.0006","11.0668","0.0011","90","","90","","90","","520.18","0.11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.03 Cu1.97 Eu In -","- Au3.032 Cu1.968 Eu In -","- Au12.128 Cu7.872 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0483","0.0313","","","0.0547","0.0594","","","","","","1","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237003","7.199","0.002","7.199","","5.5082","0.0016","90","","90","","90","","285.47","0.11","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag3.23 Au1.77 Eu In -","- Ag3.232 Au1.768 Eu In -","- Ag6.464 Au3.536 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0505","0.0348","","","0.0581","0.0617","","","","","","1.137","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237004","8.8995","0.0012","5.3795","0.0008","11.2661","0.0013","90","","90","","90","","539.36","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.21 Cu1.79 Eu In -","- Ag3.211 Cu1.789 Eu In -","- Ag12.844 Cu7.156 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.048","0.0355","","","0.0861","0.0907","","","","","","1.029","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237005","8.8834","0.0018","5.3927","0.0011","11.243","0.002","90","","90","","90","","538.6","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.09 Cu1.91 Eu In -","- Ag3.1 Cu1.9 Eu In -","- Ag12.4 Cu7.6 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.1047","0.0551","","","0.1026","0.1137","","","","","","0.983","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237006","7.1887","0.0003","7.1887","0.0003","5.4762","0.0005","90","","90","","90","","283","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag2.39 Au2.61 Eu In -","- Ag2.388 Au2.612 Eu In -","- Ag4.776 Au5.224 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0169","0.0162","","","0.0317","0.0319","","","","","","1.243","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237007","7.139","0.002","7.139","0.002","5.417","0.003","90","","90","","90","","276.08","0.19","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Au4.61 Cu0.39 Eu In -","- Au4.612 Cu0.388 Eu In -","- Au9.224 Cu0.776 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0366","0.0338","","","0.0751","0.076","","","","","","1.189","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237008","9.0774","0.0017","5.6371","0.001","11.382","0.002","90","","90","","90","","582.42","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag4.15 Au0.85 Eu In -","- Ag4.147 Au0.853 Eu In -","- Ag16.588 Au3.412 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0437","0.0345","","","0.063","0.0654","","","","","","1.262","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237009","8.832","0.003","5.3062","0.0019","11.059","0.004","90","","90","","90","","518.3","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au2.66 Cu2.34 Eu In -","- Au2.69 Cu2.31 Eu In -","- Au10.76 Cu9.24 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0583","0.0423","","","0.0897","0.0965","","","","","","0.954","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237010","9.8552","0.0005","13.7602","0.0007","14.3746","0.0009","108.204","0.002","104.384","0.002","104.602","0.002","1674.62","0.17","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N2 O2 Si -","- C40 H34 N2 O2 Si -","- C80 H68 N4 O4 Si2 -","2","1","","Liu, Xiang-Yang; Tang, Xun; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Spirobi[dibenzo[b,e][1,4]azasiline]: a novel platform for host materials in highly efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","5","1023","","10.1039/C7TC05031C","","","0.71073","MoKα","","0.0802","0.0495","","","0.1168","0.1311","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237011","10.8378","0.0005","18.1918","0.0008","32.1777","0.0015","90","","99.237","0.002","90","","6261.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N2 O4 Si -","- C40 H30 N2 O4 Si -","- C320 H240 N16 O32 Si8 -","8","2","","Liu, Xiang-Yang; Tang, Xun; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Spirobi[dibenzo[b,e][1,4]azasiline]: a novel platform for host materials in highly efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","5","1023","","10.1039/C7TC05031C","","","0.71073","MoKα","","0.1575","0.0863","","","0.1594","0.1897","","","","","","1.064","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237012","16.684","0.0007","9.5024","0.0006","18.4451","0.0008","90","","113.695","0.0016","90","","2677.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,14-dihexyl-1,2,3,4,8,9,10,11-octahydroquinolino[3,2-b]acridine","","- C32 H44 N2 -","- C32 H44 N2 -","- C128 H176 N8 -","4","1","","Lunchev, Andrey V.; Hendrata, Vincent C.; Jaggi, Aparna; Morris, Samuel A.; Ganguly, Rakesh; Chen, Xiaoxuan; Sun, Handong; Grimsdale, Andrew C.","A Friedländer route to 5,7-diazapentacenes","Journal of Materials Chemistry C","2018","6","14","3715","","10.1039/C7TC05057G","","","0.71073","MoKα","","0.1129","0.0605","","","0.1406","0.1708","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237013","8.8518","0.0019","12.613","0.003","14.689","0.003","89.365","0.002","86.918","0.002","74.577","0.002","1578.6","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","7,9-dihexyl-5,6,10,11-tetrahydrobenzo[h]benzo[7,8]quinolino[3,2-b]acridine","","- C40 H44 N2 -","- C40 H44 N2 -","- C80 H88 N4 -","2","1","","Lunchev, Andrey V.; Hendrata, Vincent C.; Jaggi, Aparna; Morris, Samuel A.; Ganguly, Rakesh; Chen, Xiaoxuan; Sun, Handong; Grimsdale, Andrew C.","A Friedländer route to 5,7-diazapentacenes","Journal of Materials Chemistry C","2018","6","14","3715","","10.1039/C7TC05057G","","","0.71073","MoKα","","0.1005","0.0623","","","0.1391","0.1582","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237014","11.3747","0.0009","11.9787","0.001","12.5689","0.001","93.969","0.002","107.999","0.002","105.44","0.002","1548.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,4,7,10-Tetra(4-(tert-butyl)phenyl)-1,4,7,10-tetraazacoronene-2,3,8,9-tetraone","","- C66 H80 N4 O10 -","- C66 H80 N4 O10 -","- C66 H80 N4 O10 -","1","0.5","","Duan, Ruomeng; Schollmeyer, Dieter; Müllen, Klaus; Li, Chen","From anthraquinone to heterocoronene as stable red chromophore","Journal of Materials Chemistry C","2018","6","6","1334","","10.1039/C7TC05073A","","","0.71073","MoKα","","0.1201","0.0752","","","0.2175","0.2551","","","","","","1.037","","","","has coordinates,has disorder","236715","2020-10-21","18:00:00",""
"7237015","11.631","0.0002","12.9034","0.0004","18.3333","0.0005","72.595","0.002","77.433","0.002","77.292","0.002","2526.88","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H65 Cl3 N2 O3 S2 -","- C55 H65 Cl3 N2 O3 S2 -","- C110 H130 Cl6 N4 O6 S4 -","2","1","","Cameron, Joseph; Abed, Mahmoud Matar; Chapman, Steven J.; Findlay, Neil J.; Skabara, Peter J.; Horton, Peter N.; Coles, Simon J.","Investigating the effect of heteroatom substitution in 2,1,3-benzoxadiazole and 2,1,3-benzothiadiazole compounds for organic photovoltaics","Journal of Materials Chemistry C","2018","6","14","3709","","10.1039/C7TC05075E","","x-ray","0.71075","MoKα","K-L~3~","0.0771","0.0518","","","0.126","0.1417","","","","","","1.016","","","","has coordinates,has disorder","236717","2020-10-21","18:00:00",""
"7237016","11.6431","0.0006","13.1881","0.0011","18.3509","0.0012","72.963","0.006","76.859","0.005","76.62","0.006","2582.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H65 Cl3 N2 O2 S3 -","- C55 H65 Cl3 N2 O2 S3 -","- C110 H130 Cl6 N4 O4 S6 -","2","1","","Cameron, Joseph; Abed, Mahmoud Matar; Chapman, Steven J.; Findlay, Neil J.; Skabara, Peter J.; Horton, Peter N.; Coles, Simon J.","Investigating the effect of heteroatom substitution in 2,1,3-benzoxadiazole and 2,1,3-benzothiadiazole compounds for organic photovoltaics","Journal of Materials Chemistry C","2018","6","14","3709","","10.1039/C7TC05075E","","x-ray","0.71075","MoKα","K-L~3~","0.1168","0.0946","","","0.1875","0.1983","","","","","","1.145","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237017","8.707","0.003","14.128","0.004","16.875","0.005","90","","90","","90","","2075.8","1.1","298","","298","","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0849","0.0439","","","0.0994","0.1163","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237018","7.3713","0.0008","7.8546","0.0007","18.749","0.002","90","","97.334","0.004","90","","1076.66","0.19","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C36 H32 Br4 Fe2 N20 -","2","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0925","0.0579","","","0.0925","0.1017","","","","","","1.121","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237019","8.8257","0.0008","13.4735","0.0012","17.207","0.0016","90","","90","","90","","2046.1","0.3","123","2","123","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0641","0.0345","","","0.0601","0.0687","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237020","7.3304","0.0005","7.7934","0.0005","18.5912","0.0014","90","","97.229","0.003","90","","1053.65","0.13","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C36 H32 Br4 Fe2 N20 -","2","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0638","0.0401","","","0.0592","0.0653","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237021","8.7376","0.0019","12.499","0.002","19.217","0.004","90","","93.267","0.008","90","","2095.3","0.7","298","2","298.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.1173","0.0607","","","0.1095","0.1352","","","","","","1.148","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237022","8.7407","0.0009","12.4108","0.0013","19.0055","0.0019","90","","94.212","0.004","90","","2056.1","0.4","123","2","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0761","0.0403","","","0.066","0.0767","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237023","8.8548","0.0005","12.5141","0.0007","19.2074","0.0011","90","","93.534","0.002","90","","2124.3","0.2","146","2","146.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Br4 Fe2 N20 -","- C36 H32 Br4 Fe2 N20 -","- C72 H64 Br8 Fe4 N40 -","2","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0926","0.0572","","","0.0854","0.0941","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237024","11.143","0.002","22.245","0.004","19.704","0.006","90","","121.22","0.02","90","","4176.8","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Cl2 N O4 S -","- C48 H41 Cl2 N O4 S -","- C192 H164 Cl8 N4 O16 S4 -","4","1","","Yu, Qi; Su, Xing; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Liu, Yifei; Zhang, Sean Xiao-An","Non-invasive fluorescence switch in polymer films based on spiropyran-photoacid modified TPE","Journal of Materials Chemistry C","2018","6","8","2113","","10.1039/C7TC05142E","","","0.71073","MoKα","","0.0848","0.06","","","0.1863","0.2055","","","","","","1.059","","","","has coordinates,has disorder","236721","2020-10-21","18:00:00",""
"7237025","8.617","0.008","22.95","0.02","10.243","0.009","90","","102.365","0.015","90","","1979","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O6 Zn -","- C18 H17 N5 O6 Zn -","- C72 H68 N20 O24 Zn4 -","4","1","","Mondal, Tuhina; Mondal, Supriya; Bose, Saptasree; Sengupta, Debabrata; Ghorai, Uttam Kumar; Saha, Shyamal K.","Pure white light emission from a rare earth-free intrinsic metal‒organic framework and its application in a WLED","Journal of Materials Chemistry C","2018","6","3","614","","10.1039/C7TC05215D","","","0.71073","MoKα","","0.1372","0.0597","","","0.1312","0.1807","","","","","","1.002","","","","has coordinates","236723","2020-10-21","18:00:00",""
"7237026","6.2517","0.0005","7.3716","0.0005","26.471","0.002","90","","90","","90","","1219.92","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F4 O4 S -","- C13 H6 F4 O4 S -","- C52 H24 F16 O16 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0279","0.0259","","","0.0677","0.069","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237027","6.0124","0.0002","22.0636","0.0007","7.2454","0.0003","90","","97.282","0.003","90","","953.39","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 F3 N O2 S -","- C10 H4 F3 N O2 S -","- C40 H16 F12 N4 O8 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0806","0.0864","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237028","18.0302","0.0005","5.89058","0.00013","18.9311","0.0006","90","","110.094","0.003","90","","1888.25","0.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl2 N O2 S -","- C9 H3 Cl2 N O2 S -","- C72 H24 Cl16 N8 O16 S8 -","8","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0385","0.0309","","","0.0705","0.0743","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237029","4.43002","0.00016","21.125","0.0007","10.8195","0.0003","90","","92.714","0.003","90","","1011.4","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 N2 O2 S -","- C12 H6 N2 O2 S -","- C48 H24 N8 O8 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0637","0.0438","","","0.0931","0.1033","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237030","19.8371","0.0006","11.5899","0.0004","3.7081","0.0001","90","","90","","90","","852.53","0.05","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H4 F2 O2 S -","- C10 H4 F2 O2 S -","- C40 H16 F8 O8 S4 -","4","0.5","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0524","0.037","","","0.0851","0.091","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237031","17.3384","0.0003","6.7457","0.0001","14.5495","0.0004","90","","114.801","0.0015","90","","1544.75","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 O2 S -","- C8 H4 N2 O2 S -","- C64 H32 N16 O16 S8 -","8","2","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0735","0.0433","","","0.085","0.0952","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237032","5.8022","0.0009","7.6384","0.0009","11.243","0.002","108.558","0.015","94.513","0.015","104.161","0.012","451.33","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H2 F4 O2 S -","- C10 H2 F4 O2 S -","- C20 H4 F8 O4 S2 -","2","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0887","0.0581","","","0.1325","0.1554","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237033","6.2118","0.001","7.0519","0.0013","14.316","0.002","79.354","0.014","79.598","0.013","65.073","0.016","555.18","0.17","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H4 F3 N O4 S -","- C11 H4 F3 N O4 S -","- C22 H8 F6 N2 O8 S2 -","2","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.1107","0.083","","","0.2125","0.2398","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237034","7.5479","0.0008","16.635","0.003","16.809","0.0018","90","","94.163","0.011","90","","2105","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C47 H37 Br2 Cl3 N2 O4 S2 -","- C46 H36 Br2 N2 O4 S2 -","- C92 H72 Br4 N4 O8 S4 -","2","0.5","","Josse, Pierre; Li, Shi; Dayneko, Sergey; Joly, Damien; Labrunie, Antoine; Dabos-Seignon, Sylvie; Allain, Magali; Siegler, Benjamin; Demadrille, Renaud; Welch, Gregory C.; Risko, Chad; Blanchard, Philippe; Cabanetos, Clément","Bromination of the benzothioxanthene Bloc: toward new π-conjugated systems for organic electronic applications","Journal of Materials Chemistry C","2018","6","4","761","","10.1039/C7TC05245F","","","1.54184","CuKα","","0.1064","0.0899","","","0.2408","0.2581","","","","","","1.016","","","","has coordinates,has disorder","236727","2020-10-21","18:00:00",""
"7237035","8.7379","0.0002","6.35286","0.0001","13.4028","0.0003","90","","90.3908","0.001","90","","743.98","0.03","100","","100","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0423","0.0389","","","0.1106","0.1152","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237036","4.03205","0.00008","21.1574","0.0004","7.31181","0.00013","90","","95.8008","0.0012","90","","620.56","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 S6 -","- C12 H6 S6 -","- C24 H12 S12 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0709","0.0531","","","0.1096","0.1343","","","","","","1.197","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237037","7.25568","0.00014","13.4167","0.0003","8.21749","0.00016","90","","112.024","0.0012","90","","741.57","0.03","92","","92","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0516","0.0443","","","0.1209","0.1315","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237038","12.6401","0.0002","8.67732","0.00018","13.7311","0.0003","90","","90","","90","","1506.06","0.05","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 S6 -","- C14 H10 S6 -","- C56 H40 S24 -","4","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0567","0.0515","","","0.1362","0.1401","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237039","13.5975","0.0006","6.7176","0.0002","13.7523","0.0006","90","","97.379","0.004","90","","1245.77","0.09","290.18","0.19","290.18","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","DVFBT","","- C26 H26 F2 N2 S3 -","- C26 H26 F2 N2 S3 -","- C52 H52 F4 N4 S6 -","2","1","","Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zhengxu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun","A vinyl flanked difluorobenzothiadiazole–dithiophene conjugated polymer for high performance organic field-effect transistors","Journal of Materials Chemistry C","2018","6","7","1774","","10.1039/C7TC05360F","","x-ray","1.54184","CuKα","","0.0879","0.0853","","","0.199","0.2061","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237040","8.798","0.0015","13.21","0.003","13.288","0.002","113.098","0.014","104.841","0.014","97.14","0.014","1328.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","DVFBT","","- C26 H26 Br2 N2 S3 -","- C26 H26 Br2 N2 S3 -","- C52 H52 Br4 N4 S6 -","2","1","","Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zhengxu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun","A vinyl flanked difluorobenzothiadiazole–dithiophene conjugated polymer for high performance organic field-effect transistors","Journal of Materials Chemistry C","2018","6","7","1774","","10.1039/C7TC05360F","","","1.54178","CuKα","","0.0773","0.067","","","0.1903","0.1953","","","","","","1.262","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237041","7.784","0.003","12.896","0.003","13.706","0.005","62.522","0.019","88.17","0.04","79.78","0.04","1199.3","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N5 O5 -","- C25 H31 N5 O5 -","- C50 H62 N10 O10 -","2","1","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.1731","0.1145","","","0.2616","0.2941","","","","","","1.077","","","","has coordinates","236733","2020-10-21","18:00:00",""
"7237042","15.3037","0.0009","15.4757","0.0003","16.3541","0.001","67.533","0.005","87.497","0.008","65.84","0.005","3236.4","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 Dy2 F60 N10 O30 -","- C100 H72 Cu2 Dy2 F60 N10 O30 -","- C100 H72 Cu2 Dy2 F60 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0651","0.0572","","","0.162","0.1679","","","","","","1.055","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237043","15.3234","0.001","15.4902","0.0003","16.3818","0.001","67.472","0.005","87.281","0.008","65.694","0.006","3245.1","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 N10 O30 Tb2 -","- C100 H72 Cu2 F60 N10 O30 Tb2 -","- C100 H72 Cu2 F60 N10 O30 Tb2 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0581","0.054","","","0.1575","0.1603","","","","","","1.076","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237044","15.298","0.003","15.4393","0.0011","16.307","0.002","67.667","0.012","87.938","0.016","65.82","0.01","3217.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 Gd2 N10 O30 -","- C100 H72 Cu2 F60 Gd2 N10 O30 -","- C100 H72 Cu2 F60 Gd2 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0548","0.0508","","","0.1523","0.155","","","","","","1.099","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237045","15.284","0.0011","15.4481","0.0006","16.3334","0.0011","67.586","0.005","87.787","0.006","65.763","0.005","3218.9","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 Ho2 N10 O30 -","- C100 H72 Cu2 F60 Ho2 N10 O30 -","- C100 H72 Cu2 F60 Ho2 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0603","0.0561","","","0.1606","0.1636","","","","","","1.03","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237046","10.9585","0.0005","10.9585","0.0005","10.9585","0.0005","90","","90","","90","","1315.99","0.1","296","2","296","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- O8 Te3 Ti -","- O8 Te3 Ti -","- O64 Te24 Ti8 -","8","0.166667","","Lu, Weiqun; Gao, Zeliang; Wu, Qian; Tian, Xiangxin; Sun, Youxuan; Liu, Yang; Tao, Xutang","Tailored fabrication of a prospective acousto‒optic crystal TiTe3O8 endowed with high performance","Journal of Materials Chemistry C","2018","6","10","2443","","10.1039/C7TC05382G","","","0.71073","MoKα","","0.0108","0.0108","","","0.0287","0.0287","","","","","","1.343","","","","has coordinates","236734","2020-10-21","18:00:00",""
"7237047","12.9832","0.0002","16.4632","0.0002","9.7224","0.0001","90","","103.823","0.001","90","","2017.93","0.05","215","0.1","215","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Khan, Asma; Zeb, Aurang; Li, Lina; Zhang, Weichuan; Sun, Zhihua; Wang, Yuyin; Luo, Junhua","A lead-free semiconducting hybrid with ultra-high color rendering index white-light emission","Journal of Materials Chemistry C","2018","6","11","2801","","10.1039/C7TC05384C","","","1.54184","CuKα","","0.0587","0.057","","","0.1367","0.14","","","","","","1.101","","","","has coordinates","236736","2020-10-21","18:00:00",""
"7237048","48.765","0.005","7.4625","0.0008","7.0053","0.0007","90","","96.573","0.004","90","","2532.5","0.5","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4-(Naphthalen-2-yl)benzo[c][1,2,5]thiadiazole","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C128 H80 N16 S8 -","8","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C–H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.087","0.0763","","","0.1899","0.2022","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237049","8.4312","0.0008","9.1773","0.0009","10.6084","0.0011","83.752","0.004","69.103","0.003","87.077","0.003","762.22","0.13","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C44 H24 N4 S2 -","2","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C–H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0433","0.0361","","","0.095","0.0992","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237050","35.191","0.002","35.191","","4.3928","0.0003","90","","90","","90","","5440.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C14 H6 F6 N2 Se -","- C14 H6 F6 N2 Se -","- C224 H96 F96 N32 Se16 -","16","2","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C–H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0757","0.0614","","","0.1337","0.141","","","","","","1.09","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237051","8.3373","0.0017","23.536","0.005","11.577","0.002","90","","111.527","0.007","90","","2113.3","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","4,7-Bis(3,5-bis(trifluoromethyl)phenyl)benzo[c][1,2,5]thiadiazole","","- C22 H8 F12 N2 S -","- C22 H8 F12 N2 S -","- C88 H32 F48 N8 S4 -","4","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C–H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0899","0.0733","","","0.176","0.1858","","","","","","1.144","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237052","23.4453","0.0016","13.4882","0.0009","41.77","0.003","90","","102.353","0.001","90","","12903.3","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 F9 N9 O8 Yb Zn -","- C66 H50 F9 N9 O8 Yb Zn -","- C528 H400 F72 N72 O64 Yb8 Zn8 -","8","1","","Fu, Guorui; Guan, Jiaqing; Li, Baoning; Liu, Lin; He, Yani; Yu, Chao; Zhang, Zhao; Lü, Xingqiang","An efficient and weak efficiency-roll-off near-infrared (NIR) polymer light-emitting diode (PLED) based on a PVK-supported Zn2±-Yb3±containing metallopolymer","Journal of Materials Chemistry C","2018","6","15","4114","","10.1039/C7TC05400A","","","0.71073","MoKα","","0.0968","0.058","","","0.135","0.1533","","","","","","1.042","","","","has coordinates,has disorder","236740","2020-10-21","18:00:00",""
"7237053","11.0325","0.0004","13.8922","0.0005","17.6967","0.0008","100.024","0.004","94.455","0.004","109.496","0.004","2490.68","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H45 N3 -","- C65 H45 N3 -","- C130 H90 N6 -","2","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","1.54184","CuKα","","0.0889","0.078","","","0.2241","0.2348","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237054","8.1689","0.0012","11.2594","0.0009","17.439","0.002","96.245","0.009","91.993","0.013","101.903","0.01","1557.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 I N3 -","- C39 H27 I N3 -","- C78 H54 I2 N6 -","2","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","0.71073","MoKα","","0.1809","0.1382","","","0.3736","0.4207","","","","","","1.316","","","","has coordinates","236742","2020-10-21","18:00:00",""
"7237055","16.0838","0.0005","6.9446","0.0002","26.8363","0.0007","90","","91.926","0.003","90","","2995.8","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Br N3 -","- C39 H26 Br N3 -","- C156 H104 Br4 N12 -","4","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","0.71073","MoKα","","0.1815","0.063","","","0.1208","0.1661","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7237056","15.88","0.004","15.715","0.004","14.354","0.004","90","","113.086","0.003","90","","3295.2","1.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tin(II) 2,3-naphthalocyanine","","- C48 H24 N8 Sn -","- C48 H24 N8 Sn -","- C192 H96 N32 Sn4 -","4","1","","Dalgleish, Simon; Reissig, Louisa; Shuku, Yoshiaki; Gourlaouen, Christophe; Vela, Sergi; Awaga, Kunio","Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications","Journal of Materials Chemistry C","2018","6","8","1959","","10.1039/C7TC05521H","","","0.71075","MoKα","","0.0542","0.0416","","","0.082","0.0902","","","","","","1.094","","","","has coordinates","236744","2020-10-21","18:00:00",""
"7237057","15.936","0.003","15.797","0.003","14.536","0.003","90","","113.069","0.002","90","","3366.7","1.1","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tin(II) 2,3-naphthalocyanine","","- C48 H24 N8 Sn -","- C48 H24 N8 Sn -","- C192 H96 N32 Sn4 -","4","1","","Dalgleish, Simon; Reissig, Louisa; Shuku, Yoshiaki; Gourlaouen, Christophe; Vela, Sergi; Awaga, Kunio","Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications","Journal of Materials Chemistry C","2018","6","8","1959","","10.1039/C7TC05521H","","","0.71075","MoKα","","0.0648","0.0475","","","0.1007","0.112","","","","","","1.079","","","","has coordinates","236744","2020-10-21","18:00:00",""
"7237058","28.1564","0.0014","28.1564","0.0014","32.14","0.003","90","","90","","120","","22066","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H18 O4.33 Zn1.33 -","- C28 H18 O4.33333 Zn1.33333 -","- C504 H324 O78 Zn24 -","18","1","","Liu, Xun-Gao; Tao, Chen-Lei; Yu, Huang-Qin; Chen, Bin; Liu, Zhen; Zhu, Gen-Ping; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A new luminescent metal‒organic framework based on dicarboxyl-substituted tetraphenylethene for efficient detection of nitro-containing explosives and antibiotics in aqueous media","Journal of Materials Chemistry C","2018","6","12","2983","","10.1039/C7TC05535H","","","0.71073","MoKα","","0.1291","0.0592","","","0.133","0.1425","","","","","","1.033","","","","has coordinates,has disorder","236746","2020-10-21","18:00:00",""
"7237059","9.2776","0.0004","11.134","0.0007","18.0446","0.0004","95.121","0.003","96.138","0.003","103.446","0.004","1789.87","0.15","160","80","160","80","","","","","","","","3","P -1","-P 1","2","","PPZTPI","","- C49 H38 N4 -","- C49 H38 N4 -","- C98 H76 N8 -","2","1","","Huang, Zhi; Xiang, Songpo; Zhang, Qing; Lv, Xialei; Ye, Shaofeng; Guo, Runda; Wang, Lei","Highly efficient green organic light emitting diodes with phenanthroimidazole-based thermally activated delayed fluorescence emitters","Journal of Materials Chemistry C","2018","6","9","2379","","10.1039/C7TC05576E","","x-ray","1.54184","CuKα","","0.0827","0.0719","","","0.2192","0.2288","","","","","","1.1","","","","has coordinates","236748","2020-10-21","18:00:00",""
"7237060","29.403","0.003","20.8279","0.0019","16.9132","0.0017","90","","111.067","0.002","90","","9665.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H96 Cd3 N10 O25 -","- C72 H54 Cd3 N4 O19 -","- C288 H216 Cd12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Wang, Shi-Cheng; Gu, Minli; Zheng, Jia-Qi; Han, Lei","Highly selective luminescent sensor for CCl4 vapor and pollutional anions/cations based on a multi-responsive MOF","Journal of Materials Chemistry C","2018","6","8","2010","","10.1039/C7TC05707E","","","0.71073","MoKα","","0.098","0.0682","","","0.2168","0.2453","","","","","","1.089","","","","has coordinates","236750","2020-10-21","18:00:00",""
"7237061","14.8602","0.0013","19.5839","0.0017","22.2821","0.0018","102.48","0.002","91.023","0.002","97.659","0.003","6267.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","TPE TriMacrocycle","","- C127 H126 Cl9 N5 O18 -","- C127 H126 Cl9 N5 O18 -","- C254 H252 Cl18 N10 O36 -","2","1","","Qiao, Wei-Guo; Xiong, Jia-Bin; Yuan, Ying-Xue; Zhang, Hong-Chao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","Chiroptical property of TPE triangular macrocycle crown ethers from propeller-like chirality induced by chiral acids","Journal of Materials Chemistry C","2018","6","13","3427","","10.1039/C7TC05759H","","","0.71073","MoKα","","0.2594","0.1456","","","0.3782","0.4488","","","","","","1.355","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237062","11.1664","0.0011","21.792","0.002","13.6426","0.0011","90","","102.995","0.007","90","","3234.7","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Cl3 O2 -","- C43 H29 Cl3 O2 -","- C172 H116 Cl12 O8 -","4","1","","Ly, Jack T.; Lopez, Steven A.; Lin, Janice B.; Kim, Jae Joon; Lee, Hyunbok; Burnett, Edmund K.; Zhang, Lei; Aspuru-Guzik, Alán; Houk, K. N.; Briseno, Alejandro L.","Oxidation of rubrene, and implications for device stability","Journal of Materials Chemistry C","2018","6","14","3757","","10.1039/C7TC05775J","","","1.54178","CuKα","","0.1098","0.068","","","0.1667","0.2027","","","","","","1.123","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237063","9.6112","0.0001","11.7137","0.0002","13.927","0.0002","107.974","0.0008","106.671","0.0007","100.746","0.0008","1362.13","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 O -","- C39 H29 O -","- C78 H58 O2 -","2","1","","Ly, Jack T.; Lopez, Steven A.; Lin, Janice B.; Kim, Jae Joon; Lee, Hyunbok; Burnett, Edmund K.; Zhang, Lei; Aspuru-Guzik, Alán; Houk, K. N.; Briseno, Alejandro L.","Oxidation of rubrene, and implications for device stability","Journal of Materials Chemistry C","2018","6","14","3757","","10.1039/C7TC05775J","","","0.71073","MoKα","","0.071","0.0489","","","0.1221","0.1385","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237112","4.6642","0.0006","15.3824","0.0018","13.1613","0.0016","90","","90","","90","","944.3","0.2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K Mg4 Sb3 -","- K Mg4 Sb3 -","- K4 Mg16 Sb12 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0303","0.022","","","0.038","0.0405","","","","","","1.1","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237113","13.124","0.003","7.8217","0.0016","13.235","0.003","90","","90","","90","","1358.6","0.5","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs2 Mg5 Sb4 -","- Cs2 Mg5 Sb4 -","- Cs8 Mg20 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.07","0.0447","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237114","13.047","0.011","7.813","0.007","13.084","0.012","90","","90","","90","","1334","2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Rb2 Sb4 -","- Mg5 Rb2 Sb4 -","- Mg20 Rb8 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0392","0.0259","","","0.0507","0.0566","","","","","","1.054","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237115","9.3736","0.0009","9.8299","0.0012","16.506","0.002","86.875","0.01","85.566","0.009","66.162","0.011","1386.5","0.3","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-oxocyclobut-1-enolate","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C60 H72 N4 O6 S2 -","2","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.1962","0.1294","","","0.2143","0.2434","","","","","","1.068","","","","has coordinates,has disorder","237426","2020-10-21","18:00:00",""
"7237116","8.9009","0.0005","29.0765","0.0017","11.744","0.0006","90","","105.91","0.006","90","","2923","0.3","143","0.1","143","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-(dicyanomethylene)-cyclobut-1-enolate","","- C33 H36 N4 O2 S -","- C33 H36 N4 O2 S -","- C132 H144 N16 O8 S4 -","4","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.0925","0.0632","","","0.1387","0.1552","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237117","31.859","0.007","16.153","0.004","16.23","0.007","90","","94.79","0.03","90","","8323","5","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H82 F4 N4 O2 S2 Se2 -","- C98 H82 F4 N4 O2 S2 Se2 -","- C392 H328 F16 N16 O8 S8 Se8 -","4","0.5","","Liang, Ziqi; Li, Miaomiao; Zhang, Xiaomei; Wang, Qi; Jiang, Yu; Tian, Hongkun; Geng, Yanhou","Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells","Journal of Materials Chemistry A","2018","6","17","8059","","10.1039/C8TA00783G","","","0.71073","MoKα","","0.2002","0.1058","","","0.263","0.3438","","","","","","1.027","","","","has coordinates,has disorder","237428","2020-10-21","18:00:00",""
"7237118","16.2679","0.0002","16.2679","0.0002","84.1291","0.0012","90","","90","","120","","19281.5","0.4","150","","150","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C468 H443.52 Na23.76 O287.76 S36 Zr36 -","6","0.166667","","Xing, Wen-Hao; Li, Hai-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Robust multifunctional Zr-based metal‒organic polyhedra for high proton conductivity and selective CO2 capture","Journal of Materials Chemistry A","2018","6","17","7724","","10.1039/C8TA00858B","","","1.54184","CuKα","","0.0512","0.048","","","0.1463","0.1489","","","","","","1.086","","","","has coordinates,has disorder","237430","2020-10-21","18:00:00",""
"7237119","10.624","0.002","19.309","0.004","19.483","0.004","63.46","0.03","77.79","0.03","83.38","0.03","3493.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H155 N9 O53 Zr6 -","- C86 H54 O32 Zr6 -","- C86 H54 O32 Zr6 -","1","0.5","","Sun, Xiaodong; Yao, Shuo; Yu, Chengyang; Li, Guanghua; Liu, Chunming; Huo, Qisheng; Liu, Yunling","An ultrastable Zr-MOF for fast capture and highly luminescence detection of Cr2O72− simultaneously in an aqueous phase","Journal of Materials Chemistry A","2018","6","15","6363","","10.1039/C8TA01060A","","","0.71073","MoKα","","0.0688","0.0506","","","0.137","0.1455","","","","","","0.98","","","","has coordinates,has disorder","237432","2020-10-21","18:00:00",""
"7237120","11.061","0.005","11.061","0.005","14.622","0.005","90","","90","","120","","1549.3","1.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","","- C15 H24 Cl2 Cu N24 O8 -","- C15 H24 Cl2 Cu N24 O8 -","- C30 H48 Cl4 Cu2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0452","0.0329","","","0.0822","0.0927","","","","","","1.099","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237121","9.807","0.0002","10.725","0.0002","11.183","0.0003","90","","105.128","0.002","90","","1135.47","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-ditetrazolylpropanyl silver(I) perchlorate","1,2-ditetrazolylpropanyl silver(I) perchlorate'","","- C5 H8 Ag Cl N8 O4 -","- C5 H8 Ag Cl N8 O4 -","- C20 H32 Ag4 Cl4 N32 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0189","0.017","","","0.0403","0.0413","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237122","10.6063","0.0006","6.5631","0.0004","11.7632","0.0007","90","","90.685","0.005","90","","818.78","0.08","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-ditetrazolylpropane","1,2-ditetrazolylpropane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0365","0.031","","","0.0787","0.0839","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237123","11.1661","0.0002","11.1661","0.0002","14.7523","0.0004","90","","90","","120","","1592.92","0.06","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","","- C15 H24 Cl2 Mn N24 O8 -","- C15 H24 Cl2 Mn N24 O8 -","- C30 H48 Cl4 Mn2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0332","0.0292","","","0.0782","0.0825","","","","","","1.083","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237124","11.0824","0.0003","11.0824","0.0003","14.7279","0.0008","90","","90","","120","","1566.53","0.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate'","","- C15 H24 Cl2 N24 O8 Zn -","- C15 H24 Cl2 N24 O8 Zn -","- C30 H48 Cl4 N48 O16 Zn2 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0744","0.0397","","","0.0881","0.105","","","","","","1.023","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237125","13.226","0.0006","13.786","0.0008","20.222","0.0008","99.253","0.004","102.001","0.004","114.596","0.005","3150","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","1,2-ditetrazolylpropane copper(II) perchlorate","1,2-ditetrazolylpropane copper(II) perchlorate","","- C30 H48 Cl4 Cu2 N48 O16 -","- C30 H48 Cl4 Cu2 N48 O16 -","- C60 H96 Cl8 Cu4 N96 O32 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0893","0.0651","","","0.1665","0.186","","","","","","1.032","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237126","10.2283","0.001","10.967","0.0012","16.3177","0.0015","90","","90","","90","","1830.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-di-1,tetrazolyl-propane monohydrate","1,3-di-1,tetrazolyl-propane monohydrate","","- C5 H10 N8 O -","- C5 H10 N8 O -","- C40 H80 N64 O8 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.04","0.0301","","","0.0716","0.0772","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237127","27.0187","0.001","18.508","0.0006","15.4569","0.0005","90","","124.91","0.001","90","","6338.5","0.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","","- C15 H24 Cu N30 O8 -","- C15 H24 Cu N30 O8 -","- C120 H192 Cu8 N240 O64 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71073","MoKα","","0.038","0.0283","","","0.0703","0.0774","","","","","","1.052","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237128","9.467","0.0005","10.314","0.0005","14.0761","0.0007","90.39","0.004","92.808","0.004","98.412","0.004","1357.87","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide'","","- C14 H20 Cu N22 O10 -","- C14 H20 Cu N22 O10 -","- C28 H40 Cu2 N44 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0371","0.0293","","","0.0688","0.0735","","","","","","1.034","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237129","11.085","0.005","11.085","0.005","14.554","0.005","90","0.005","90","0.005","120","0.005","1548.8","1.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris-1,3(ditetrazol-1-yl)propane cobalt(II) diperchlorate","tris(1,3-ditetrazol-1-yl)propane cobalt(II) diperchlorate","","- C15 H24 Cl2 Co N24 O8 -","- C15 H24 Cl2 Co N24 O8 -","- C30 H48 Cl4 Co2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71069","MoKα","","0.0351","0.0309","","","0.0772","0.0823","","","","","","1.091","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237130","10.945","0.0004","10.945","0.0004","14.517","0.0005","90","","90","","120","","1506.05","0.09","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C30 H48 Cl4 Fe2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.038","0.0304","","","0.0764","0.0802","","","","","","1.073","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237131","8.4824","0.0004","14.4398","0.0005","10.7195","0.0005","90","","109.217","0.005","90","","1239.81","0.1","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","","- C10 H20 Cl2 Cu N16 O10 -","- C10 H20 Cl2 Cu N16 O10 -","- C20 H40 Cl4 Cu2 N32 O20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0443","0.0395","","","0.106","0.111","","","","","","1.063","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237132","11.671","0.0006","4.7586","0.0002","15.1639","0.0007","90","","105.362","0.005","90","","812.08","0.07","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-di(tetrazol-2-yl)propane","1,3-di(tetrazol-2-yl)propane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0382","0.0319","","","0.0767","0.0805","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237133","11.237","0.002","12.606","0.003","19.298","0.004","90.32","0.03","95.79","0.03","109.07","0.03","2568.3","1.1","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","NDT","","- C58 H50 Cl4 N2 O6 S2 -","- C56 N2 O6 S2 -","- C112 N4 O12 S4 -","2","1","","Cui, Bin-Bin; Yang, Ning; Shi, Congbo; Yang, Shuangshuang; Shao, Jiang-Yang; Han, Ying; Zhang, Liuzhu; Zhang, Qingshan; Zhong, Yu-Wu; Chen, Qi","Naphtho[1,2-b:4,3-b′]dithiophene-based hole transporting materials for high-performance perovskite solar cells: molecular engineering and opto-electronic properties","Journal of Materials Chemistry A","2018","6","21","10057","","10.1039/C8TA02071J","","","0.71073","MoKα","","0.076","0.0656","","","0.1982","0.2237","","","","","","1.153","","","","has coordinates","237437","2020-10-21","18:00:00",""
"7237134","9.5817","0.001","10.2973","0.0011","10.5303","0.0011","90","","97.562","0.003","90","","1029.94","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O6 -","- C6 H4 N8 O6 -","- C24 H16 N32 O24 -","4","1","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","0.71073","MoKα","","0.0904","0.047","","","0.1007","0.1182","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237135","7.7033","0.0006","19.087","0.0012","13.1208","0.0009","90","","90","","90","","1929.2","0.2","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N8 O6 -","- C6 N8 O6 -","- C48 N64 O48 -","8","2","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","1.54178","CuKα","","0.1619","0.1092","","","0.256","0.3067","","","","","","1.024","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237136","8.443","0.002","8.443","0.002","33.962","0.007","90","0.03","90","0.03","120","0.03","2096.6","1","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H5.5 N8.5 O8 -","- C9 H5.5 N8.5 O8 -","- C54 H33 N51 O48 -","6","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","1.54184","CuKα","","0.0502","0.0404","","","0.0805","0.0853","","","","","","1.114","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7237137","9.4365","0.001","11.5612","0.0012","12.9442","0.0014","90","","92.305","0.003","90","","1411","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N8 O8 -","- C9 H6 N8 O8 -","- C36 H24 N32 O32 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0789","0.0481","","","0.1149","0.1321","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237138","9.6012","0.0004","11.5875","0.0005","9.794","0.0004","90","","96.837","0.002","90","","1081.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N8 O4 -","- C7 H6 N8 O4 -","- C28 H24 N32 O16 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0722","0.0426","","","0.1049","0.1211","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237139","12.326","0.005","6.678","0.003","12.126","0.005","90","","104.517","0.011","90","","966.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N8 O4 -","- C6 H4 N8 O4 -","- C24 H16 N32 O16 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0753","0.0456","","","0.1289","0.1485","","","","","","1.028","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237140","9.7764","0.0005","28.1748","0.0014","7.1892","0.0004","90","","90","","90","","1980.25","0.18","173","2","173","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C28 H40 Cl2 Eu2 N2 O20 -","- C28 H20 Cl2 Eu2 N2 O12 -","- C56 H40 Cl4 Eu4 N4 O24 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","1.54178","CuKα","","0.0671","0.0668","","","0.1818","0.1825","","","","","","0.996","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237141","9.7765","0.0004","28.3415","0.0011","7.1889","0.0003","90","","90","","90","","1991.91","0.14","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C34 H37 Cl2 Eu2 N3 O15 -","- C34 H25 Cl2 Eu2 N3 O12.5 -","- C68 H50 Cl4 Eu4 N6 O25 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","0.71073","MoKα","","0.0274","0.0257","","","0.0758","0.077","","","","","","1.086","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237142","28.6596","0.0007","27.8917","0.0008","9.55","0.0003","90","","90","","90","","7633.9","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C54 H42 N15 O5 Zn2 -","- C54 H42 N15 O5 Zn2 -","- C216 H168 N60 O20 Zn8 -","4","0.5","","Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan","Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds","Journal of Materials Chemistry A","2018","6","19","9183","","10.1039/C8TA02857E","","","0.71073","MoKα","","0.1015","0.084","","","0.2605","0.2745","","","","","","1.06","","","","has coordinates","237447","2020-10-21","18:00:00",""
"7237143","8.4046","0.0003","10.7488","0.0003","12.1752","0.0004","91.608","0.003","95.6","0.003","90.126","0.003","1094.21","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O5 Ru -","- C22 H24 Cl2 N2 O5 Ru -","- C44 H48 Cl4 N4 O10 Ru2 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","","1.54184","CuKα","","0.0432","0.0418","","","0.1193","0.1211","","","","","","1.022","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237144","8.1896","0.0001","20.1788","0.0002","15.8594","0.0002","90","","90.44","0.001","90","","2620.79","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H56 N8 O25 Rh2 -","- C44 H56 N8 O25 Rh2 -","- C88 H112 N16 O50 Rh4 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","x-ray","1.54184","CuKα","","0.0315","0.0308","","","0.0762","0.077","","","","","","1.034","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237145","5.5646","0.0006","6.9441","0.0008","18.902","0.002","90","","98.039","0.012","90","","723.22","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 S2 -","- C16 H12 F2 O2 S2 -","- C32 H24 F4 O4 S4 -","2","0.5","","Li, Shuixing; Zhan, Lingling; Zhao, Wenchao; Zhang, Shuhua; Ali, Basharat; Fu, Zhisheng; Lau, Tsz-Ki; Lu, Xinhui; Shi, Minmin; Li, Chang-Zhi; Hou, Jianhui; Chen, Hongzheng","Revealing the effects of molecular packing on the performances of polymer solar cells based on A–D–C–D–A type non-fullerene acceptors","Journal of Materials Chemistry A","2018","6","25","12132","","10.1039/C8TA03753A","","","0.71073","MoKα","","0.0605","0.0449","","","0.104","0.1151","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237146","16.9343","0.0014","12.3926","0.001","11.305","0.0009","90","","120.836","0.002","90","","2037.1","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H22 B12 Cu I12 N6 -","- C8 H22 B12 Cu I12 N6 -","- C16 H44 B24 Cu2 I24 N12 -","2","0.25","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0172","0.016","","","0.0341","0.0345","","","","","","1.191","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237147","10.9499","0.0004","12.057","0.0005","12.3471","0.0004","61.337","0.001","69.03","0.001","81.237","0.001","1335.24","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","1","0.5","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0232","0.0214","","","0.0499","0.0509","","","","","","1.074","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237148","15.306","0.002","15.306","0.002","28.885","0.006","90","","90","","120","","5860.4","1.6","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C84 H66 In3 N O25 -","- C84 H54 In3 O16 -","- C168 H108 In6 O32 -","2","0.0833333","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0987","0.0953","","","0.2334","0.235","","","","","","1.15","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237149","33.816","0.004","33.816","0.004","33.816","0.004","90","","90","","90","","38669","8","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C217 H237 Eu6 N19 O53 -","- C3.05455 H0.872727 Eu0.109091 O0.690909 -","- C672 H192 Eu24 O152 -","220","1.14583","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0591","0.0541","","","0.1576","0.1623","","","","","","1.096","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237150","24.153","0.002","13.12","0.001","8.6","0.001","90","","92.537","0.001","90","","2722.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly{[(mu-azopyridine)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C10 H14 Cu N2 O6 -","- C10 H10 Cu N2 O4 -","- C80 H80 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0484","0.0369","","","0.0861","0.0906","","","","","","1.035","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237151","27.253","0.001","13.608","0.001","9.146","0.002","90","","92.81","0.03","90","","3387.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2,2'-dimethylglutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C13 H19 Cu N2 O6 -","- C13 H15 Cu N2 O4 -","- C104 H120 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0714","0.0457","","","0.1023","0.1097","","","","","","1.025","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237152","27.019","0.009","13.506","0.005","8.921","0.005","90","","94.792","0.006","90","","3244","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2-methylglutarato-kO:kO':kO'':kO''')dicopper(II)] pentahydrate}","","- C24 H36 Cu2 N4 O13 -","- C24 H32 Cu2 N4 O13 -","- C96 H128 Cu8 N16 O52 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0675","0.0517","","","0.144","0.1568","","","","","","1.08","","","","has coordinates,has disorder","237454","2020-10-21","18:00:00",""
"7237153","26.9173","0.0001","12.987","0.001","8.574","0.001","90","","104.82","0.01","90","","2897.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-2,5-bis(4-pyridyl)-1,3,4-oxadiazole)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C22 H28 Cu2 N4 O13 -","- C22 H20 Cu2 N4 O9 -","- C88 H80 Cu8 N16 O36 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0905","0.0969","","","","","","1.089","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237154","26.0992","0.0004","26.0992","0.0004","9.2584","0.0002","90","","90","","120","","5461.61","0.17","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C48 H36 Cu4 N12 O12 -","- C48 H36 Cu4 N12 O12 -","- C144 H108 Cu12 N36 O36 -","3","1","","Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang","An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture","Journal of Materials Chemistry A","2018","6","40","19681","","10.1039/C8TA04498H","","","1.54178","CuKα","","0.0594","0.0402","","","0.0802","0.0862","","","","","","0.834","","","","has coordinates","237456","2020-10-21","18:00:00",""
"7237155","9.7746","0.0009","10.4557","0.001","19.049","0.0017","90","","91.034","0.002","90","","1946.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups – a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0484","0.0369","","","0.0891","0.097","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237156","9.9011","0.0013","10.5386","0.0013","19.291","0.002","90","","91.071","0.003","90","","2012.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups – a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0781","0.0462","","","0.1105","0.1302","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237157","11.6936","0.0009","11.6936","0.0009","8.833","0.0008","90","","90","","90","","1207.83","0.17","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C2 H12 Ag2 N8 O8 -","- C2 H12 Ag2 N8 O8 -","- C8 H48 Ag8 N32 O32 -","4","0.25","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0663","0.0663","","","0.2378","0.2378","","","","","","1.196","","","","has coordinates,has disorder","237460","2020-10-21","18:00:00",""
"7237158","3.7131","0.0015","9.097","0.004","12.626","0.005","108.745","0.007","96.5","0.005","98.409","0.005","393.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H9 N5 O7 -","- C2 H9 N5 O7 -","- C4 H18 N10 O14 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0477","0.0383","","","0.1024","0.1123","","","","","","1.118","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237159","8.1131","0.001","8.6292","0.001","11.1334","0.0013","106.97","0.001","93.53","0.001","105.554","0.001","709.89","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H15 N9 O12 -","- C4 H15 N9 O12 -","- C8 H30 N18 O24 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0532","0.0453","","","0.1253","0.1369","","","","","","1.078","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237160","9.2546","0.0011","7.8","0.0009","13.1353","0.0014","90","","107.923","0.003","90","","902.17","0.18","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O8 -","- C2 H8 N6 O8 -","- C8 H32 N24 O32 -","4","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","x-ray","0.71073","MoKα","","0.0589","0.0392","","","0.0826","0.0897","","","","","","1.067","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237161","23.1218","0.0019","10.7247","0.0009","24.0502","0.0017","90","","90","","90","","5963.8","0.8","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C144 H304 Cl16 Co24 N72 P24 S32 -","4","0.25","","Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.","A cobalt sulfide cluster-based catholyte for aqueous flow battery applications","Journal of Materials Chemistry A","2018","6","44","21927","","10.1039/C8TA05788E","","","0.71073","MoKα","","0.0753","0.0492","","","0.1025","0.1136","","","","","","1.0052","","","","has coordinates","237462","2020-10-21","18:00:00",""
"7237162","18.9552","0.0014","11.1084","0.0008","14.2841","0.0018","90","","126.184","0.001","90","","2427.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 N10 O8 -","- C5 H8 N10 O8 -","- C40 H64 N80 O64 -","8","1","","He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic salts of 4-nitramino-3-(5-dinitromethyl-1,2,4-oxadiazolyl)-furazan: powerful alliance towards good thermal stability and high performance","Journal of Materials Chemistry A","2018","6","35","16833","","10.1039/C8TA06199H","","","0.71073","MoKα","","0.0421","0.0331","","","0.0857","0.0911","","","","","","1.028","","","","has coordinates","237464","2020-10-21","18:00:00",""
"7237163","16.9552","0.001","19.4089","0.001","18.5986","0.0009","90","","99.771","0.004","90","","6031.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C192 H96 Cl4 Cu9 N80 O -","2","0.5","","Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong","A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal","Journal of Materials Chemistry A","2018","6","36","17698","","10.1039/C8TA06249H","","","1.54178","CuKα","","0.1904","0.136","","","0.2756","0.2927","","","","","","1.051","","","","has coordinates","237466","2020-10-21","18:00:00",""
"7237164","9.4718","0.0005","9.4932","0.0003","13.4657","0.0003","91.53","0.002","91.845","0.003","108.004","0.004","1150.06","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0688","0.0675","","","0.201","0.2043","","","","","","1.188","","","","has coordinates,has disorder","237467","2020-10-21","18:00:00",""
"7237165","7.6728","0.0003","12.677","0.0006","13.41465","0.00019","102.618","0.003","90.338","0.002","100.899","0.004","1248.82","0.08","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 B F7 N2 O4 -","- C29 H18 B F7 N2 O4 -","- C58 H36 B2 F14 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0488","0.0463","","","0.1296","0.133","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237166","11.7774","0.0004","15.2002","0.0004","17.0421","0.0004","93.918","0.002","105.682","0.003","97.023","0.003","2898.8","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 B F9 N2 O4 -","- C30 H18 B F9 N2 O4 -","- C120 H72 B4 F36 N8 O16 -","4","2","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0472","0.0392","","","0.1173","0.1234","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237167","10.3883","0.0003","10.3883","0.0003","10.0967","0.0008","90","","90","","90","","1089.6","0.1","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","","- C4 H16 Cl2 Cu N20 O10 -","- C4 H16 Cl2 Cu N20 O10 -","- C8 H32 Cl4 Cu2 N40 O20 -","2","0.25","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0494","0.0389","","","0.0991","0.1049","","","","","","1.058","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237168","21.8207","0.0004","21.8207","0.0004","6.9043","0.0003","90","","90","","120","","2847","0.14","173","","173","","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)copper(II) perchlorate","hexakis(1-aminotetrazolyl)copper(II) perchlorate","","- C6 H18 Cl2 Cu N30 O8 -","- C6 H18 Cl2 Cu N30 O8 -","- C24 H72 Cl8 Cu4 N120 O32 -","4","0.666667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0931","0.0628","","","0.1674","0.1925","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237169","7.898","0.0005","9.618","0.0006","15.771","0.0007","78.554","0.004","76.267","0.004","73.23","0.005","1103.34","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","","- C4 H16 Cl2 Mn N20 O10 -","- C4 H16 Cl2 Mn N20 O10 -","- C8 H32 Cl4 Mn2 N40 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0436","0.0378","","","0.0928","0.0974","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237170","5.0889","0.0003","6.5662","0.0005","11.1652","0.0008","90","","90","","90","","373.08","0.04","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5H-tetrazole","1-amino-5H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0226","0.0208","","","0.0494","0.0504","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237171","9.477","0.0006","9.9109","0.0006","15.4054","0.0008","75.695","0.005","89.058","0.005","63.694","0.006","1249.66","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","","- C5 H17 Cl2 Fe N25 O9 -","- C5 H17 Cl2 Fe N25 O9 -","- C10 H34 Cl4 Fe2 N50 O18 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0564","0.0473","","","0.1276","0.1369","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237172","6.8468","0.0005","3.6679","0.0002","18.5122","0.0012","90","","91.579","0.006","90","","464.73","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dichlorido bis(2-aminotetrazolyl) copper(II)","dichlorido bis(2-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C4 H12 Cl4 Cu2 N20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0285","0.0246","","","0.0572","0.0596","","","","","","1.067","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237173","8.5016","0.0002","10.8035","0.0003","19.2662","0.0006","79.175","0.003","86.1","0.002","86.315","0.002","1731.63","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 N40 O8 Zn -","- C8 H24 Cl2 N40 O8 Zn -","- C16 H48 Cl4 N80 O16 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.055","0.0369","","","0.0789","0.0874","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237174","18.8934","0.0004","18.8934","0.0004","6.983","0.0002","90","","90","","120","","2158.7","0.09","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)iron(II) perchlorate","hexakis(1-aminotetrazolyl)iron(II) perchlorate","","- C6 H18 Cl2 Fe N30 O8 -","- C6 H18 Cl2 Fe N30 O8 -","- C18 H54 Cl6 Fe3 N90 O24 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1923","","","","","","1.059","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237175","8.515","0.0003","10.83","0.0005","19.305","0.0008","79.072","0.004","86.098","0.003","86.476","0.003","1741.78","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 Fe N40 O8 -","- C8 H24 Cl2 Fe N40 O8 -","- C16 H48 Cl4 Fe2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0412","0.0317","","","0.0765","0.0821","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237176","9.4477","0.001","7.9116","0.0009","17.279","0.002","90","","90.61","0.011","90","","1291.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","","- C6 H18 N32 O6 Zn -","- C6 H18 N32 O6 Zn -","- C12 H36 N64 O12 Zn2 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0925","0.0667","","","0.1533","0.1725","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237177","5.5236","0.0004","8.3025","0.0007","13.6929","0.0011","90","","90.247","0.005","90","","627.95","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-aminotetrazolium perchlorate","2-aminotetrazolium perchlorate","","- C H4 Cl N5 O4 -","- C H4 Cl N5 O4 -","- C4 H16 Cl4 N20 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0317","0.0272","","","0.0698","0.0732","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237178","18.908","0.005","18.908","0.005","6.992","0.005","90","","90","","120","","2164.8","1.7","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","","- C6 H18 Cl2 N30 O8 Zn -","- C6 H18 Cl2 N30 O8 Zn -","- C18 H54 Cl6 N90 O24 Zn3 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.075","0.0661","","","0.1925","0.2024","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237179","9.6517","0.0003","7.888","0.0003","17.1904","0.0005","90","","93.923","0.002","90","","1305.68","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","","- C6 H18 Cl2 Cu N30 O6 -","- C6 H18 Cl2 Cu N30 O6 -","- C12 H36 Cl4 Cu2 N60 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0685","0.0647","","","0.1411","0.1425","","","","","","1.353","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237180","10.3015","0.0007","10.866","0.0007","16.4236","0.0011","80.433","0.006","73.574","0.006","80.646","0.005","1725.8","0.2","143","2","143","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","","- C8 H24 Cl2 Cu N40 O8 -","- C8 H24 Cl2 Cu N40 O8 -","- C16 H48 Cl4 Cu2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0626","0.0403","","","0.0821","0.0951","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237181","7.9953","0.0008","8.9746","0.0008","8.0033","0.0009","90","","107.469","0.012","90","","547.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2-aminotetrazolyl) dinitrato copper(II)","bis(2-aminotetrazolyl) dinitrato copper(II)","","- C2 H6 Cu N12 O6 -","- C2 H6 Cu N12 O6 -","- C4 H12 Cu2 N24 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.026","0.0229","","","0.0609","0.0635","","","","","","1.049","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237182","15.301","0.005","6.684","0.005","15.203","0.005","90","","106.027","0.005","90","","1494.4","1.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(1-aminotetrazolyl) dinitrato copper(II)","tris(1-aminotetrazolyl) dinitrato copper(II)","","- C3 H9 Cu N17 O6 -","- C3 H9 Cu N17 O6 -","- C12 H36 Cu4 N68 O24 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0392","0.0328","","","0.0545","0.0575","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237183","7.4976","0.0002","12.2023","0.0005","10.3115","0.0004","90","","91.719","0.004","90","","942.95","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bischlorido bis(1-aminotetrazolyl) copper(II)","bis-chlorido bis(1-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C8 H24 Cl8 Cu4 N40 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0277","0.0224","","","0.0539","0.0564","","","","","","1.086","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237184","9.4977","0.0006","9.9017","0.0005","15.3665","0.0008","75.918","0.005","89.336","0.005","63.584","0.006","1247.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","","- C5 H17 Cl2 N25 O9 Zn -","- C5 H17 Cl2 N25 O9 Zn -","- C10 H34 Cl4 N50 O18 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.054","0.0474","","","0.1282","0.1348","","","","","","1.05","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237185","14.8973","0.0009","5.0185","0.0002","20.4159","0.001","90","","103.628","0.005","90","","1483.36","0.13","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","","- C14 H22 Mn N16 O24 -","- C14 H22 Mn N16 O24 -","- C28 H44 Mn2 N32 O48 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0583","0.0377","","","0.0729","0.0794","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237186","14.704","0.0006","5.049","0.0002","20.468","0.0009","90","","103.858","0.004","90","","1475.32","0.11","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","","- C14 H22 Mn N16 O22 -","- C14 H22 Mn N16 O22 -","- C28 H44 Mn2 N32 O44 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0338","0.0278","","","0.0682","0.0722","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237187","12.608","0.003","5.6499","0.0011","12.102","0.002","90","","110.626","0.004","90","","806.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0711","0.0418","","","0.0921","0.1062","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237188","5.3726","0.0012","17.51","0.004","8.6127","0.0019","90","","93.895","0.005","90","","808.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0482","0.035","","","0.0842","0.0933","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237189","3.704","0.0002","10.7498","0.0005","17.5309","0.0009","98.171","0.001","94.55","0.001","92.658","0.001","687.59","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0469","0.0377","","","0.1003","0.108","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237190","3.6798","0.0004","10.3754","0.001","18.1767","0.0018","90","","90","","90","","693.98","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0395","0.0333","","","0.0833","0.0875","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237191","9.893","0.003","18.586","0.006","9.943","0.003","90","","90","","90","","1828.2","1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H3 N5 O6 -","- C7 H3 N5 O6 -","- C56 H24 N40 O48 -","8","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.1138","0.0566","","","0.1061","0.1275","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237192","11.1512","0.0005","17.278","0.0007","12.9735","0.0005","90","","106.259","0.001","90","","2399.64","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C84 H60 N60 O24 -","12","3","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0716","0.0528","","","0.1108","0.1187","","","","","","1.158","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237193","7.2094","0.0008","7.7337","0.0009","14.2011","0.0016","90","","93.215","0.002","90","","790.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C28 H20 N20 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0455","0.0382","","","0.1046","0.1132","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237194","9.7268","0.0006","8.3199","0.0005","9.821","0.0006","90","","90","","90","","794.77","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H3 N5 O4 -","- C6 H3 N5 O4 -","- C24 H12 N20 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone – novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0317","0.028","","","0.0648","0.0668","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237195","18.2466","0.0003","18.2466","0.0003","16.911","0.0004","90","","90","","90","","5630.32","0.19","150","","150","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C15 H7 Cu N O7 -","- C15 H7 Cu N O7 -","- C120 H56 Cu8 N8 O56 -","8","1","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","x-ray","1.54178","CuKα","","0.0754","0.0513","","","0.1228","0.1333","","","","","","0.941","","","","has coordinates,has disorder","237474","2020-10-21","18:00:00",""
"7237196","15.2262","0.0005","36.4417","0.0013","10.3313","0.0005","90","","90","","90","","5732.5","0.4","150","","150","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C19 H14 Cu N2 O7 -","- C19 H14 Cu N2 O7 -","- C152 H112 Cu8 N16 O56 -","8","0.5","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","","1.54178","CuKα","","0.0479","0.0412","","","0.1189","0.1241","","","","","","1.079","","","","has coordinates","237474","2020-10-21","18:00:00",""
"7237197","8.7287","0.0017","22.221","0.004","15.08","0.003","90","","91.16","0.03","90","","2924.3","1","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H60 I14 N6 Pb4 -","- C18 H60 I14 N6 Pb4 -","- C36 H120 I28 N12 Pb8 -","2","1","","Zhang, Yu; Li, Fengzhu; Jiang, Ke-Jian; Huang, Jin-Hua; Wang, Huijia; Fan, Haochen; Wang, Pengcheng; Liu, Cai-Ming; Zhang, Li-Peng; Song, YanLin","From 2D to 3D: a facile and effective procedure for fabrication of planar CH3NH3PbI3perovskite solar cells","Journal of Materials Chemistry A","2018","6","37","17867","","10.1039/C8TA07048B","","","0.71073","MoKα","","0.0826","0.08","","","0.2118","0.214","","","","","","1.093","","","","has coordinates","237476","2020-10-21","18:00:00",""
"7237198","30.9254","0.0009","30.9254","0.0009","19.313","0.0014","90","","90","","120","","15996","1.3","296","2","296","2","","","","","","","syntetic","7","R 3 c :H","R 3 -2""c","161","Pyrazoline Co(II) complex","bis(thiocabamoylpirazoline)Co(II) Chloride","","- C34 H34 Cl2 Co N6 O2 S2 -","- C34 H34 Cl2 Co N6 O2 S2 -","- C612 H612 Cl36 Co18 N108 O36 S36 -","18","1","","Bezerra, Leticia S.; Rosa, Persiely P.; Fortunato, Guilherme V.; Pizzuti, Lucas; Casagrande, Gleison A.; Maia, Gilberto","Electroreduction of a CoIIcoordination complex producing a metal‒organic film with high performance toward electrocatalytic hydrogen evolution","Journal of Materials Chemistry A","2018","6","40","19590","","10.1039/C8TA07340F","","x-ray","0.71073","MoKα","","0.1178","0.0457","","","0.0845","0.1061","","","","","","1.01","","","","has coordinates","237478","2020-10-21","18:00:00",""
"7237199","12.7988","0.0018","30.8674","0.001","15.6757","0.0009","90","","112.407","0.011","90","","5725.4","1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 In N2 O8 -","- C40 H26 In N2 O8 -","- C160 H104 In4 N8 O32 -","4","0.5","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","x-ray","1.54184","CuKα","","0.1572","0.131","","","0.3566","0.3822","","","","","","1.341","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237200","6.5926","0.0003","29.493","0.002","15.9919","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H26 Al2 N2 O10 -","- C40 H26 Al2 N2 O10 -","- C80 H52 Al4 N4 O20 -","2","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1841","0.1431","","","0.3756","0.419","","","","","","1.402","","","","has coordinates,has disorder","237481","2020-10-21","18:00:00",""
"7237201","40.9189","0.0008","40.9189","0.0008","15.1257","0.0005","90","","90","","120","","21932.8","0.9","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C240 H192 N12 O96 Zr18 -","3","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1187","0.0726","","","0.1358","0.1446","","","","","","1.06","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237206","9.562","0.002","11.187","0.002","12.146","0.003","84.862","0.004","70.861","0.004","68.636","0.004","1142.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cu I2 N2 -","- C6 H11 Cu I2 N2 -","- C24 H44 Cu4 I8 N8 -","4","2","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0366","0.0303","","","0.0861","0.0903","","","","","","1.019","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237207","6.7005","0.0013","13.303","0.003","11.176","0.003","90","","105.771","0.004","90","","958.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Cu I2 N4 -","- C3 H7 Cu I2 N4 -","- C12 H28 Cu4 I8 N16 -","4","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0481","0.0414","","","0.0944","0.0984","","","","","","1.053","","","","has coordinates,has disorder","237485","2020-10-21","18:00:00",""
"7237208","13.2656","0.0015","21.421","0.003","10.3192","0.0012","90","","90","","90","","2932.3","0.6","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H22 Cu5 I7 N4 -","- C12 H22 Cu5 I7 N4 -","- C48 H88 Cu20 I28 N16 -","4","0.5","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0429","0.0347","","","0.0868","0.1016","","","","","","1.096","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237209","9.733","0.001","11.3531","0.0013","17.4044","0.0019","79.24","0.002","76.117","0.002","86.646","0.002","1834","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 Cu4 I7 N6 -","- C18 H33 Cu4 I7 N6 -","- C36 H66 Cu8 I14 N12 -","2","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0604","0.0428","","","0.1126","0.1389","","","","","","1.024","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237210","15.1119","0.0002","15.1119","0.0002","15.1119","0.0002","90","","90","","90","","3451.1","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.34 H16.02 Al3.95 N1.34 O16.94 P2.56 Si1.49 -","- C5.3408 H16.0224 Al3.9512 N1.3352 O16.944 P2.56 Si1.4888 -","- C32.0448 H96.1344 Al23.7072 N8.0112 O101.664 P15.36 Si8.9328 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0271","3.501","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237211","15.1697","0.0001","15.1697","0.0001","15.1697","0.0001","90","","90","","90","","3490.85","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DEA","","","- C5.33 H15.92 Al3.95 N1.33 O18.08 P2.7 Si1.35 -","- C5.3344 H15.9192 Al3.95 N1.3336 O18.08 P2.7 Si1.35 -","- C32.0064 H95.5152 Al23.7 N8.0016 O108.48 P16.2 Si8.1 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.011","1.489","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237212","15.163","0.0001","15.163","0.0001","15.163","0.0001","90","","90","","90","","3486.22","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C13.16 H37.26 Al7.43 N2.47 O32.98 P5.33 Si3.23 -","- C14.8032 H39.1072 Al7.4336 N2.4672 O32.9813 P5.3336 Si3.2328 -","- C44.4096 H117.322 Al22.3008 N7.4016 O98.944 P16.0008 Si9.6984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0166","2.078","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237213","15.1588","0.0001","15.1588","0.0001","15.1588","0.0001","90","","90","","90","","3483.33","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.17 H17.22 Al3.73 N1.23 O16 P2.45 Si1.82 -","- C6.168 H17.2224 Al3.7332 N1.2336 O16 P2.45 Si1.8168 -","- C37.008 H103.334 Al22.3992 N7.4016 O96 P14.7 Si10.9008 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0506","4.119","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237214","15.1545","0.0001","15.1545","0.0001","15.1545","0.0001","90","","90","","90","","3480.37","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.58 H15.42 Al3.85 N1.12 O18.74 P2.95 Si1.2 -","- C5.584 H15.4184 Al3.85 N1.1168 O18.736 P2.95 Si1.2 -","- C33.504 H92.5104 Al23.1 N6.7008 O112.416 P17.7 Si7.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0206","2.468","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237215","15.1671","0.0001","15.1671","0.0001","15.1671","0.0001","90","","90","","90","","3489.05","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.33 H15.24 Al3.77 N1.33 O18.26 P2.53 Si1.7 -","- C5.3344 H15.9032 Al3.7668 N1.3336 O18.256 P2.5332 Si1.7 -","- C32.0064 H95.4192 Al22.6008 N8.0016 O109.536 P15.1992 Si10.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0208","1.686","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237216","15.1935","0.0002","15.1935","0.0002","15.1935","0.0002","90","","90","","90","","3507.3","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DMEDA","","","- C5.07 H21.64 Al3.32 N2.9 O20.81 P1.77 Si2.92 -","- C5.7984 H21.6352 Al3.3168 N2.8992 O20.8107 P1.7668 Si2.9164 -","- C34.7904 H129.811 Al19.9008 N17.3952 O124.864 P10.6008 Si17.4984 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0227","2.667","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237217","15.1454","0.0001","15.1454","0.0001","15.1454","0.0001","90","","90","","90","","3474.1","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.92 H16.2 Al3.82 N1.18 O17.02 P3 Si1.18 -","- C5.916 H16.1984 Al3.8168 N1.1832 O17.0168 P3 Si1.1832 -","- C35.496 H97.1904 Al22.9008 N7.0992 O102.101 P18 Si7.0992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0174","1.46","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237218","15.1568","0.0001","15.1568","0.0001","15.1568","0.0001","90","","90","","90","","3481.95","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.08 H17.04 Al3.57 N1.22 O17.31 P2.38 Si2.05 -","- C6.084 H17.0352 Al3.5668 N1.2168 O17.3107 P2.3832 Si2.05 -","- C36.504 H102.211 Al21.4008 N7.3008 O103.864 P14.2992 Si12.3 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0211","1.347","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237219","24.1479","0.0002","24.1479","0.0002","24.1479","0.0002","90","","90","","90","","14081.1","0.2","25","","25","","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C192.61 H472.59 Al70.9 N32.1 O405.79 P88.8 Si32.3 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","1","0.00520833","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0444","2.6863","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237220","15.1543","0.0001","15.1543","0.0001","15.1543","0.0001","90","","90","","90","","3480.23","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-EBA","","","- C6.2 H16.4 Al3.7 N1.03 O18.2 P2.77 Si1.53 -","- C6.2016 H16.404 Al3.7 N1.0336 O18.196 P2.7668 Si1.5332 -","- C37.2096 H98.424 Al22.2 N6.2016 O109.176 P16.6008 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0348","3.0377","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237221","15.1503","0.0001","15.1503","0.0001","15.1503","0.0001","90","","90","","90","","3477.47","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-ECyA","","","- C14.4 H32.3 Al7.03 N1.8 O32 P5.33 Si3.63 -","- C14.4 H32.2992 Al7.0336 N1.8 O32 P5.3336 Si3.6328 -","- C43.2 H96.8976 Al21.1008 N5.4 O96 P16.0008 Si10.8984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0321","2.005","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237222","15.17","0.0002","15.17","0.0002","15.17","0.0002","90","","90","","90","","3491.06","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C4.6 H14.87 Al3.77 N1.53 O18.84 P2.7 Si1.53 -","- C4.6008 H14.8688 Al3.7668 N1.5336 O18.84 P2.7 Si1.5332 -","- C27.6048 H89.2128 Al22.6008 N9.2016 O113.04 P16.2 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0445","4.172","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237223","13.097","0.003","13.097","0.003","8.628","0.002","90","","90","","90","","1480","0.6","153","2","153","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C20 H16 Cu F6 N8 Ti -","- C20 H16 Cu F6 N8 Ti -","- C40 H32 Cu2 F12 N16 Ti2 -","2","0.0625","","Yang, Lifeng; Cui, Xili; Zhang, Yuanbin; Yang, Qiwei; Xing, Huabin","A highly sensitive flexible metal‒organic framework sets a new benchmark for separating propyne from propylene","Journal of Materials Chemistry A","2018","6","47","24452","","10.1039/C8TA08198K","","","0.71073","MoKα","","0.0737","0.0704","","","0.1419","0.1437","","","","","","1.177","","","","has coordinates,has disorder","237497","2020-10-21","18:00:00",""
"7237224","8.5699","0.0008","8.5699","0.0008","21.552","0.002","90","","90","","120","","1370.8","0.2","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- I9 N Sb2 -","- I9 N Sb2 -","- I18 N2 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0598","0.0564","","","0.1771","0.1803","","","","","","1.204","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237225","8.5508","0.001","8.5508","0.001","21.53","0.003","90","","90","","120","","1363.3","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 I9 N3 Sb2 -","- C2 I9 Sb2 -","- C4 I18 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0448","0.0373","","","0.1408","0.146","","","","","","1.23","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237227","14.7622","0.0012","14.6228","0.0012","14.8907","0.0013","90","","103.074","0.005","90","","3131.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O13 Zn2 -","- C26 H27 N7 O13 Zn2 -","- C104 H108 N28 O52 Zn8 -","4","1","","Das, Prasenjit; Mandal, Sanjay K.","A highly emissive fluorescent Zn-MOF: molecular decoding strategies for solvents and trace detection of dunnite in water","Journal of Materials Chemistry A","2018","6","43","21274","","10.1039/C8TA08546C","","","0.71073","MoKα","","0.084","0.0746","","","0.2125","0.2206","","","","","","1.01","","","","has coordinates","237502","2020-10-21","18:00:00",""
"7237231","4.94","0.0003","7.5682","0.0004","14.0353","0.0007","77.659","0.002","82.403","0.002","81.37","0.002","504.08","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","guanidinium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methanide hydrate","","- C4 H10 N8 O6 -","- C4 H10 N8 O6 -","- C8 H20 N16 O12 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0336","0.0304","","","0.0877","0.1105","","","","","","1.156","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237232","3.6481","0.0001","10.9836","0.0004","13.2014","0.0004","107.196","0.002","95.394","0.002","99.113","0.002","493.35","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","amino(hydrazinyl)methaniminium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methanide","","- C4 H9 N9 O5 -","- C4 H9 N9 O5 -","- C8 H18 N18 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","1.54178","CuKα","","0.0406","0.0382","","","0.1091","0.1117","","","","","","1.041","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237233","6.785","0.002","7.137","0.002","7.965","0.002","85.052","0.005","74.005","0.005","84.941","0.005","368.55","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C6 H12 N12 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0828","0.0451","","","0.1042","0.1424","","","","","","1.064","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237263","11.7124","0.0004","22.5365","0.0007","24.352","0.0007","90","","90","","90","","6427.9","0.3","293.7","0.4","293.7","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H54 O15 -","- C84 H54 O15 -","- C336 H216 O60 -","4","1","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","1.54184","CuKα","","0.0615","0.0512","","","0.1374","0.1481","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237264","12.7039","0.0006","13.6838","0.0011","20.0466","0.0013","71.882","0.007","78.624","0.005","75.444","0.006","3178.8","0.4","129.9","0.4","129.9","0.4","","","","","","","","3","P 1","P 1","1","","","","- C32 H22 O8 -","- C32 H22 O8 -","- C128 H88 O32 -","4","4","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","0.71073","MoKα","","0.084","0.0564","","","0.1454","0.1626","","","","","","0.911","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237265","8.358","0.002","9.923","0.002","17.348","0.004","105.023","0.003","93.779","0.003","109.005","0.003","1295.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C58 H56 N8 O8 -","2","1","","Zhang, Mingzhu; Du, Wei; Tian, Xiaohe; Zhang, Ruilong; Zhao, Meng; Zhou, Hongping; Ding, Yaqi; Li, Lin; Wu, Jieying; Tian, Yupeng","Real-time noninvasive monitoring of cell mortality using a two-photon emissive probe based on quaternary ammonium","Journal of Materials Chemistry B","2018","6","27","4417","","10.1039/C8TB00976G","","","0.71073","MoKα","","0.0707","0.0499","","","0.1255","0.1411","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237266","20.2784","0.0012","11.6978","0.0007","20.667","0.0012","90","","115.464","0.001","90","","4426.2","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H30 Ag3 F9 N12 O10 S3 -","- C30 H30 Ag3 F9 N12 O10 S3 -","- C120 H120 Ag12 F36 N48 O40 S12 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0318","0.0266","","","0.0571","0.0596","","","","","","1.019","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237267","10.1679","0.0009","21.1811","0.0018","9.9402","0.0008","90","","92.138","0.002","90","","2139.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H20 Ag B F4 N8 -","- C18 H20 Ag B F4 N8 -","- C72 H80 Ag4 B4 F16 N32 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0826","0.0851","","","","","","1.074","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237268","6.4995","0.0002","18.1405","0.0005","10.605","0.0003","90","","100.155","0.002","90","","1230.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H0 N O5 Zn -","- C13 N O5 Zn -","- C52 N4 O20 Zn4 -","4","1","","Zhang, Jun; Huang, Yike; Yue, Dan; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A luminescent turn-up metal‒organic framework sensor for tryptophan based on singlet‒singlet Förster energy transfer","Journal of Materials Chemistry B","2018","6","31","5174","","10.1039/C8TB01592A","","","0.71073","MoKα","","0.0412","0.0359","","","0.134","0.1387","","","","","","1.212","","","","has coordinates","237540","2020-10-21","18:00:00",""
"7237270","26.178","0.006","6.0436","0.0009","8.6187","0.0014","90","","94.872","0.016","90","","1358.6","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","1","","Garrett, Mary Robert; Durán-Peña, María Jesús; Lewis, William; Pudzs, Kaspars; Užulis, Jānis; Mihailovs, Igors; Tyril, Björk; Shine, Jonathan; Smith, Emily F.; Rutkis, Martins; Woodward, Simon","Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes","Journal of Materials Chemistry C","2018","6","13","3403","","10.1039/C8TC00073E","","x-ray","1.54184","CuKα","K-L~2,3~","0.1896","0.1423","","","0.4282","0.4701","","","","","","1.713","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237271","8.1917","0.0004","9.5688","0.0005","18.0523","0.001","100.673","0.0009","91.6388","0.0009","104.935","0.0009","1339.22","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H52 F4 I2 N4 O8 S2 -","- C58 H52 F4 I2 N4 O8 S2 -","- C58 H52 F4 I2 N4 O8 S2 -","1","0.5","","Weldeab, Asmerom O.; Steen, April; Starkenburg, Daken J.; Williams, Jon Steven Dal; Abboud, Khalil A.; Xue, Jiangeng; Hammer, Nathan I.; Castellano, Ronald K.; Watkins, Davita L.","Tuning the structural and spectroscopic properties of donor–acceptor–donor oligomers via mutual X-bonding, H-bonding, and π–π interactions","Journal of Materials Chemistry C","2018","6","44","11992","","10.1039/C8TC00074C","","","0.71073","MoKα","","0.0385","0.0251","","","0.0499","0.0525","","","","","","0.966","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237272","8.2494","0.0003","9.3069","0.0004","15.1499","0.0007","87.1718","0.001","78.7559","0.001","77.6043","0.0009","1114.2","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl6 N4 O6 S2 -","- C46 H38 Cl6 N4 O6 S2 -","- C46 H38 Cl6 N4 O6 S2 -","1","0.5","","Weldeab, Asmerom O.; Steen, April; Starkenburg, Daken J.; Williams, Jon Steven Dal; Abboud, Khalil A.; Xue, Jiangeng; Hammer, Nathan I.; Castellano, Ronald K.; Watkins, Davita L.","Tuning the structural and spectroscopic properties of donor–acceptor–donor oligomers via mutual X-bonding, H-bonding, and π–π interactions","Journal of Materials Chemistry C","2018","6","44","11992","","10.1039/C8TC00074C","","","0.71073","MoKα","","0.0584","0.0361","","","0.0862","0.101","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237273","9.2966","0.0005","20.8159","0.0012","25.0346","0.0014","90","","97.841","0.002","90","","4799.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 N2 -","- C66 H52 N2 -","- C264 H208 N8 -","4","1","","Zeng, Weixuan; Zhao, Yongbiao; Ning, Weimin; Gong, Shaolong; Zhu, Zece; Zou, Yang; Lu, Zheng-Hong; Yang, Chuluo","Efficient non-doped fluorescent OLEDs with nearly 6% external quantum efficiency and deep-blue emission approaching the blue standard enabled by quaterphenyl-based emitters","Journal of Materials Chemistry C","2018","6","16","4479","","10.1039/C8TC00317C","","","0.71073","MoKα","","0.1135","0.0517","","","0.1177","0.1473","","","","","","0.998","","","","has coordinates","237547","2020-10-21","18:00:00",""
"7237274","43.6168","0.0015","19.7236","0.0007","30.5768","0.0011","90","","125.495","0.002","90","","21416.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Dy4 Fe7 N11 O47 -","- C65 H133 Dy4 Fe7 N8 O47 -","- C520 H1064 Dy32 Fe56 N64 O376 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0543","0.0438","","","0.1099","0.1137","","","","","","0.988","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237275","43.521","0.002","19.6914","0.0009","30.4499","0.0015","90","","125.444","0.001","90","","21259.3","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Fe7 N11 O47 Tb4 -","- C71 H133 Fe7 N11 O47 Tb4 -","- C568 H1064 Fe56 N88 O376 Tb32 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0451","0.0392","","","0.1265","0.1315","","","","","","1.049","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237276","43.357","0.005","19.735","0.002","30.376","0.006","90","","125.406","0.004","90","","21185","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H143.5 Fe7 Gd4 N11.5 O47 -","- C67 H133 Fe7 Gd4 N9 O47 -","- C536 H1064 Fe56 Gd32 N72 O376 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0464","0.0325","","","0.0656","0.0692","","","","","","1.06","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237277","43.5252","0.0018","19.688","0.0008","30.3545","0.0012","90","","125.505","0.001","90","","21175.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Fe7 N11 O47 Y4 -","- C71 H133 Fe7 N11 O47 Y4 -","- C568 H1064 Fe56 N88 O376 Y32 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0669","0.0403","","","0.0917","0.1016","","","","","","1.015","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237278","8.6164","0.0009","18.5966","0.0019","17.2232","0.0017","90","","92.76","0.002","90","","2756.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl Dy N4 O2 -","- C30 H32 Cl Dy N4 O2 -","- C120 H128 Cl4 Dy4 N16 O8 -","4","1","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Yin, Bing; Ke, Hongshan; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping","Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB","Journal of Materials Chemistry C","2018","6","15","4273","","10.1039/C8TC00353J","","","0.71073","MoKα","","0.0402","0.0285","","","0.0605","0.0701","","","","","","1.047","","","","has coordinates","237552","2020-10-21","18:00:00",""
"7237279","8.606","0.003","18.545","0.006","17.441","0.006","90","","93.068","0.005","90","","2779.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Br Dy N4 O2 -","- C30 H32 Br Dy N4 O2 -","- C120 H128 Br4 Dy4 N16 O8 -","4","1","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Yin, Bing; Ke, Hongshan; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping","Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB","Journal of Materials Chemistry C","2018","6","15","4273","","10.1039/C8TC00353J","","","0.71073","MoKα","","0.0623","0.0565","","","0.1644","0.1687","","","","","","1.031","","","","has coordinates","237552","2020-10-21","18:00:00",""
"7237280","9.3698","0.0007","10.9783","0.0008","15.2591","0.001","87.38","0.003","76.302","0.003","82.659","0.004","1512.28","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3.6 H3.8 N0.1 O0.2 S0.1 -","- C3.6 H3.8078 N0.1 O0.2 S0.1 -","- C72 H76.156 N2 O4 S2 -","20","10","","Liu, Xiaoyuan; Rezaee, Ehsan; Shan, Haiquan; Xu, Jiaju; Zhang, Yin; Feng, Yaomiao; Dai, Junfeng; Chen, Zhi-Kuan; Huang, Wei; Xu, Zong-Xiang","Dopant-free hole transport materials based on alkyl-substituted indacenodithiophene for planar perovskite solar cells","Journal of Materials Chemistry C","2018","6","17","4706","","10.1039/C8TC00385H","","","1.54178","CuKα","","0.0896","0.0816","","","0.2091","0.2163","","","","","","1.045","","","","has coordinates,has disorder","237554","2020-10-21","18:00:00",""
"7237281","11.8347","0.0007","11.848","0.0007","15.4459","0.0008","103.656","0.002","100.909","0.002","109.745","0.002","1893.2","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08 -","- C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08 -","- C82 H96 Cl4 N2 O4 S2 -","25","12.5","","Liu, Xiaoyuan; Rezaee, Ehsan; Shan, Haiquan; Xu, Jiaju; Zhang, Yin; Feng, Yaomiao; Dai, Junfeng; Chen, Zhi-Kuan; Huang, Wei; Xu, Zong-Xiang","Dopant-free hole transport materials based on alkyl-substituted indacenodithiophene for planar perovskite solar cells","Journal of Materials Chemistry C","2018","6","17","4706","","10.1039/C8TC00385H","","","0.71073","MoKα","","0.0541","0.0407","","","0.0978","0.1046","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237282","6.6762","0.0001","12.7767","0.0002","18.3011","0.0003","90","","90","","90","","1561.08","0.04","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","1","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54184","CuKα","","0.0338","0.0319","","","0.0842","0.0857","","","","","","1.045","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237283","18.2587","0.0003","6.7913","0.0002","12.8788","0.0003","90","","90","","90","","1596.98","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","0.5","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54178","CuKα","","0.0728","0.0621","","","0.1029","0.1076","","","","","","1.008","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237284","6.7455","0.0002","18.3207","0.0006","12.8506","0.0005","90","","93.473","0.004","90","","1585.19","0.09","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","1","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54178","CuKα","","0.0801","0.0723","","","0.1359","0.139","","","","","","1.02","","","","has coordinates,has disorder","237555","2020-10-21","18:00:00",""
"7237285","8.3287","0.0005","16.376","0.001","29.1881","0.0019","90","","92.363","0.003","90","","3977.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NiTSPP-TMPyP","","- C88 H79 N12 Ni O20.5 S4 -","- C88 H79 N12 Ni O20.5 S4 -","- C176 H158 N24 Ni2 O41 S8 -","2","0.5","","Borders, Bryan; Adinehnia, Morteza; Chilukuri, Bhaskar; Ruf, Michael; Hipps, K. W.; Mazur, Ursula","Tuning the optoelectronic characteristics of ionic organic crystalline assemblies","Journal of Materials Chemistry C","2018","6","15","4041","","10.1039/C8TC00416A","","","1.34139","GaKα","","0.0766","0.0523","","","0.14","0.1523","","","","","","1.048","","","","has coordinates,has disorder","237557","2020-10-21","18:00:00",""
"7237286","7.3865","0.0006","8.616","0.0006","7.512","0.0006","90","","109.395","0.009","90","","450.95","0.07","353","2","353","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","0.5","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0374","0.0296","","","0.0719","0.0748","","","","","","1.087","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237287","7.2735","0.0003","8.571","0.0003","7.4768","0.0003","90","","108.893","0.004","90","","441","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","1","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0316","0.03","","","0.0779","0.0786","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237288","10.0807","0.0003","11.077","0.0005","32.5012","0.0013","91.153","0.004","94.764","0.003","91.904","0.003","3613.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N14 O26 Pr2 -","- C72 H64 N14 O26 Pr2 -","- C144 H128 N28 O52 Pr4 -","2","1","","Liao, Wei-Ming; Li, Chao-Jie; Wu, Xiangwen; Zhang, Jian-Hua; Wang, Zheng; Wang, Hai-Ping; Fan, Ya-Nan; Pan, Mei; Su, Cheng-Yong","Homometallic Ln(iii)-complexes from an ILCT ligand with sensitized vis-NIR emission, excitation-dependent PL color tuning and white-light emission","Journal of Materials Chemistry C","2018","6","13","3254","","10.1039/C8TC00458G","","","1.54184","CuKα","","0.1126","0.064","","","0.1556","0.197","","","","","","1.076","","","","has coordinates","237560","2020-10-21","18:00:00",""
"7237289","22.1509","0.0001","16.0378","0.0001","27.6728","0.0001","90","","90","","90","","9830.81","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Eu N8 O17 -","- C45 H40 Eu N8 O17 -","- C360 H320 Eu8 N64 O136 -","8","1","","Liao, Wei-Ming; Li, Chao-Jie; Wu, Xiangwen; Zhang, Jian-Hua; Wang, Zheng; Wang, Hai-Ping; Fan, Ya-Nan; Pan, Mei; Su, Cheng-Yong","Homometallic Ln(iii)-complexes from an ILCT ligand with sensitized vis-NIR emission, excitation-dependent PL color tuning and white-light emission","Journal of Materials Chemistry C","2018","6","13","3254","","10.1039/C8TC00458G","","","1.54178","CuKα","","0.0588","0.053","","","0.1507","0.1545","","","","","","1.144","","","","has coordinates,has disorder","237560","2020-10-21","18:00:00",""
"7237290","8.812","0.0014","8.8274","0.0015","16.566","0.002","92.668","0.01","97.662","0.01","112.396","0.009","1174.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","1TP","1TP","","- C42 H58 B20 -","- C42 H58 B20 -","- C42 H58 B20 -","1","0.5","","Kwon, Youngjae; Han, Si Hyun; Yu, Seokhyeon; Lee, Jun Yeob; Lee, Kang Mun","Functionalized phenylimidazole-based facial-homoleptic iridium(iii) complexes and their excellent performance in blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","16","4565","","10.1039/C8TC00568K","","","0.71073","MoKα","","0.1245","0.0817","","","0.2345","0.2853","","","","","","1.066","","","","has coordinates","237562","2020-10-21","18:00:00",""
"7237291","14.985","0.003","26.651","0.005","17.246","0.003","90","","102.6","0.03","90","","6722","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CNIr","CNIr","","- C66 H66 Ir N9 -","- C66 H66 Ir N9 -","- C264 H264 Ir4 N36 -","4","1","","Kwon, Youngjae; Han, Si Hyun; Yu, Seokhyeon; Lee, Jun Yeob; Lee, Kang Mun","Functionalized phenylimidazole-based facial-homoleptic iridium(iii) complexes and their excellent performance in blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","16","4565","","10.1039/C8TC00568K","","","0.71073","MoKα","","0.0751","0.0463","","","0.1544","0.1796","","","","","","1.021","","","","has coordinates","237562","2020-10-21","18:00:00",""
"7237292","11.544","0.004","11.822","0.004","16.267","0.005","90","","107.419","0.005","90","","2118.2","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Liu, Xiang-Yang; Ge, Hui-Ting; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Novel carbazole derivatives designed by an ortho-linkage strategy for efficient phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","15","4300","","10.1039/C8TC00630J","","","0.71073","MoKα","","0.0874","0.058","","","0.1864","0.2215","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237293","11.0823","0.0006","8.2233","0.0004","42.789","0.002","90","","90","","90","","3899.5","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C224 H160 -","8","1","","Liu, Dan; Li, Jie; Liu, Jie; Lu, Xiuqiang; Hu, Mengxiao; Li, Yang; Shu, Zhibin; Ni, Zhenjie; Ding, Shang; Jiang, Lang; Zhen, Yonggang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A new organic compound of 2-(2,2-diphenylethenyl)anthracene (DPEA) showing simultaneous electrical charge transport property and AIE optical characteristics","Journal of Materials Chemistry C","2018","6","15","3856","","10.1039/C8TC00763B","","","0.71073","MoKα","","0.0901","0.0752","","","0.1717","0.1817","","","","","","1.186","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237294","22.0253","0.0017","15.9315","0.0009","10.2459","0.0007","90","","100.064","0.007","90","","3539.9","0.4","160.1","0.6","160.1","0.6","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu O12 -","- C15 H15 Eu O12 -","- C120 H120 Eu8 O96 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.048","0.0411","","","0.0901","0.0938","","","","","","1.091","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237295","21.985","0.008","15.883","0.006","10.192","0.004","90","","100.172","0.006","90","","3503","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu0.7 O12 Tb0.3 -","- C15 H15 Eu0.7 O12 Tb0.3 -","- C120 H120 Eu5.6 O96 Tb2.4 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.0289","0.0278","","","0.0642","0.0648","","","","","","1.033","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237296","22.1778","0.0006","16.0639","0.0004","10.2487","0.0003","90","","100.134","0.002","90","","3594.26","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu0.33 O12 Tb0.67 -","- C15 H15 Eu0.33 O12 Tb0.67 -","- C120 H120 Eu2.64 O96 Tb5.36 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.0326","0.028","","","0.0658","0.0685","","","","","","1.102","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237297","4.1021","0.0013","8.259","0.003","9.176","0.002","98.51","0.02","89.43","0.04","105.65","0.03","295.91","0.16","298","","298","","","","","","","","","3","P -1","-P 1","2","","","PGP-4_2","- C16 H10 N4 -","- C16 H10 N4 -","- C16 H10 N4 -","1","0.5","","Gómez, Paula; Georgakopoulos, Stamatis; Cerón, José Pedro; da Silva, Iván; Más-Montoya, Miriam; Pérez, José; Tárraga, Alberto; Curiel, David","Hydrogen-bonded azaphenacene: a strategy for the organization of π-conjugated materials","Journal of Materials Chemistry C","2018","6","15","3968","","10.1039/C8TC00840J","powder diffraction","","0.953892","synchrotron","","4.12458","","","","","","","","1.17995","","","","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237298","12.307","0.003","5.5294","0.0014","15.071","0.005","90","","102.214","0.01","90","","1002.4","0.5","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Hermann, Mathias; Wu, Ruihan; Grenz, David C.; Kratzert, Daniel; Li, Hanying; Esser, Birgit","Thioether- and sulfone-functionalized dibenzopentalenes as n-channel semiconductors for organic field-effect transistors","Journal of Materials Chemistry C","2018","6","20","5420","","10.1039/C8TC00970H","","x-ray","0.71073","MoKα","","0.0392","0.0365","","","0.0864","0.088","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237299","8.951","0.005","9.552","0.005","14.344","0.009","103.52","0.02","91.36","0.02","101.337","0.015","1166","1.2","100","2","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F6 S2 -","- C30 H16 F6 S2 -","- C60 H32 F12 S4 -","2","1","","Hermann, Mathias; Wu, Ruihan; Grenz, David C.; Kratzert, Daniel; Li, Hanying; Esser, Birgit","Thioether- and sulfone-functionalized dibenzopentalenes as n-channel semiconductors for organic field-effect transistors","Journal of Materials Chemistry C","2018","6","20","5420","","10.1039/C8TC00970H","","x-ray","0.71073","MoKα","","0.043","0.0352","","","0.0899","0.0948","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237300","7.7699","0.0018","13.996","0.003","14.391","0.004","117.28","0.018","94.333","0.013","104.573","0.005","1312.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 Br2 F14 N2 O2 S2 Zn -","- C26 Br2 F14 N2 O2 S2 Zn -","- C52 Br4 F28 N4 O4 S4 Zn2 -","2","1","","Hu, J. X.; Karamshuk, S.; Gorbaciova, J.; Ye, H. Q.; Lu, H.; Zhang, Y. P.; Zheng, Y. X.; Liang, X.; Motevalli, M.; Abrahams, I.; Hernández, I.; Wyatt, P. B.; Gillin, W. P.","Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution","Journal of Materials Chemistry C","2018","6","26","7012","","10.1039/C8TC00971F","","x-ray","0.71073","MoKα","","0.1108","0.0622","","","0.146","0.1671","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237301","9.7956","0.0007","17.7834","0.0015","10.0007","0.0008","90","","99.394","0.003","90","","1718.7","0.2","159","2","159","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O4 -","- C40 H56 N2 O4 -","- C80 H112 N4 O8 -","2","0.5","","Ogawa, Taku; Yanai, Nobuhiro; Fujiwara, Saiya; Nguyen, Thuc-Quyen; Kimizuka, Nobuo","Aggregation-free sensitizer dispersion in rigid ionic crystals for efficient solid-state photon upconversion and demonstration of defect effects","Journal of Materials Chemistry C","2018","6","21","5609","","10.1039/C8TC00977E","","","0.71075","MoKα","","0.0537","0.0492","","","0.1481","0.153","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237302","22.4498","0.0004","15.6306","0.0002","22.1378","0.0003","90","","92.948","0.002","90","","7758","0.2","100","0.1","100","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C28 H12 La4 Mo12 N4 O74 Si -","- C28 H12 La4 Mo12 N4 O74 Si -","- C112 H48 La16 Mo48 N16 O296 Si4 -","4","1","","Kaczmarek, Anna M.","Eu3+/Tb3+ and Dy3+ POM@MOFs and 2D coordination polymers based on pyridine-2,6-dicarboxylic acid for ratiometric optical temperature sensing","Journal of Materials Chemistry C","2018","6","22","5916","","10.1039/C8TC01062E","","x-ray","0.71073","MoKα","","0.0522","0.0505","","","0.1272","0.1294","","","","","","1.054","","","","has coordinates","237578","2020-10-21","18:00:00",""
"7237303","8.9877","0.0002","14.3607","0.0004","24.6049","0.0007","90","","97.515","0.002","90","","3148.47","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Eu0.88 N3 O22 Tb1.12 -","- C21 H9 Eu0.88 N3 O22 Tb1.12 -","- C84 H36 Eu3.52 N12 O88 Tb4.48 -","4","1","","Kaczmarek, Anna M.","Eu3+/Tb3+ and Dy3+ POM@MOFs and 2D coordination polymers based on pyridine-2,6-dicarboxylic acid for ratiometric optical temperature sensing","Journal of Materials Chemistry C","2018","6","22","5916","","10.1039/C8TC01062E","","x-ray","1.54184","CuKα","","0.0625","0.0526","","","0.1451","0.1556","","","","","","1.046","","","","has coordinates","237578","2020-10-21","18:00:00",""
"7237304","9.2516","0.0005","10.4441","0.0005","10.6544","0.0005","108.442","0.002","112.993","0.002","97.706","0.002","859","0.08","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzoate) silicon phthalocyanine","","- C46 H26 N8 O4 Si -","- C46 H26 N8 O4 Si -","- C46 H26 N8 O4 Si -","1","0.5","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.0334","0.0326","","","0.0815","0.0821","","","","","","1.059","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237305","8.6931","0.0002","10.8895","0.0003","11.6021","0.0003","104.591","0.001","109.742","0.001","92.148","0.001","991.3","0.04","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-napthoate) silicon phthalocyanine","","- C54 H30 N8 O4 Si -","- C54 H30 N8 O4 Si -","- C54 H30 N8 O4 Si -","1","0.5","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.0418","0.0358","","","0.0881","0.0916","","","","","","1.074","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237306","10.9435","0.0002","11.4401","0.0002","18.8824","0.0003","84.533","0.001","83.93","0.001","77.144","0.001","2285.51","0.07","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(9-anthronate) silicon phthalocyanine","","- C62 H34 N8 O4 Si -","- C62 H34 N8 O4 Si -","- C124 H68 N16 O8 Si2 -","2","1","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.037","0.0319","","","0.0808","0.0842","","","","","","1.036","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237307","10.6303","0.0002","21.0524","0.0005","12.4988","0.0003","90","","93.553","0.002","90","","2791.77","0.11","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C118 H124 Cl4 F12 Ir2 N8 O4 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","0.71073","MoKα","","0.0765","0.0508","","","0.0995","0.1272","","","","","","1.079","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237308","14.5179","0.0004","14.7719","0.0006","15.0424","0.0006","63.787","0.004","70.237","0.003","87.517","0.002","2702.2","0.2","140","2","140.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H62 Cl6 F6 Ir N4 P -","- C51 H62 Cl6 F6 Ir N4 P -","- C102 H124 Cl12 F12 Ir2 N8 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","","0.71073","MoKα","","0.0591","0.044","","","0.1101","0.1205","","","","","","1.059","","","","has coordinates,has disorder","237583","2020-10-21","18:00:00",""
"7237309","10.5545","0.0001","20.9658","0.0003","12.6119","0.0002","90","","93.555","0.001","90","","2785.44","0.07","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 P -","- C59 H62 Cl2 F6 Ir N4 P -","- C118 H124 Cl4 F12 Ir2 N8 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0422","0.0356","","","0.0841","0.0908","","","","","","1.06","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237310","10.7101","0.0001","20.1747","0.0002","14.3187","0.0001","90","","108.533","0.001","90","","2933.44","0.05","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H82 F6 Ir N4 O P -","- C60 H82 F6 Ir N4 O P -","- C120 H164 F12 Ir2 N8 O2 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1007","0.1087","","","","","","0.881","","","","has coordinates,has disorder","237583","2020-10-21","18:00:00",""
"7237311","13.9888","0.0005","19.9742","0.0008","14.8367","0.0006","90","","105.113","0.001","90","","4002.2","0.3","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Cl12 N2 O4 Pt2 -","- C74 H92 Cl12 N2 O4 Pt2 -","- C148 H184 Cl24 N4 O8 Pt4 -","2","0.5","","Yang, Shengyi; Meng, Fanyuan; Wu, Xiugang; Yin, Zheng; Liu, Xianzhi; You, Caifa; Wang, Yafei; Su, Shijian; Zhu, Weiguo","Dinuclear platinum(ii) complex dominated by a zig-zag-type cyclometalated ligand: a new approach to realize high-efficiency near infrared emission","Journal of Materials Chemistry C","2018","6","21","5769","","10.1039/C8TC01142G","","","0.71073","MoKα","","0.0602","0.0435","","","0.104","0.1148","","","","","","1.031","","","","has coordinates","237584","2020-10-21","18:00:00",""
"7237312","34.547","0.004","11.4277","0.0014","27.364","0.003","90","","92.157","0.003","90","","10795","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N2 O2 Pt -","- C59 H70 N2 O2 Pt -","- C472 H560 N16 O16 Pt8 -","8","1","","Yang, Shengyi; Meng, Fanyuan; Wu, Xiugang; Yin, Zheng; Liu, Xianzhi; You, Caifa; Wang, Yafei; Su, Shijian; Zhu, Weiguo","Dinuclear platinum(ii) complex dominated by a zig-zag-type cyclometalated ligand: a new approach to realize high-efficiency near infrared emission","Journal of Materials Chemistry C","2018","6","21","5769","","10.1039/C8TC01142G","","","0.71073","MoKα","","0.0873","0.0497","","","0.1366","0.1933","","","","","","1.045","","","","has coordinates,has disorder","237584","2020-10-21","18:00:00",""
"7237313","5.9285","0.0003","14.3929","0.0008","15.8658","0.0008","90","","90","","90","","1353.8","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl4 N2 O Pb -","- C5 H15 Cl4 N2 O Pb -","- C20 H60 Cl16 N8 O4 Pb4 -","4","1","","Peng, Yu; Yao, Yunpeng; Li, Lina; Wu, Zhenyue; Wang, Sasa; Luo, Junhua","White-light emission in a chiral one-dimensional organic‒inorganic hybrid perovskite","Journal of Materials Chemistry C","2018","6","22","6033","","10.1039/C8TC01150H","","","0.71073","MoKα","","0.0392","0.0355","","","0.0849","0.0868","","","","","","1.081","","","","has coordinates","237586","2020-10-21","18:00:00",""
"7237314","17.666","0.002","16.9546","0.0019","21.093","0.002","90","","104.461","0.002","90","","6117.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 F6 Ir N5 -","- C33 H22 F6 Ir N5 -","- C264 H176 F48 Ir8 N40 -","8","2","","Su, Ning; Lu, Guang-Zhao; Zheng, You-Xuan","Highly efficient green electroluminescence of iridium(iii) complexes based on (1H-pyrazol-5-yl)pyridine derivatives ancillary ligands with low efficiency roll-off","Journal of Materials Chemistry C","2018","6","21","5778","","10.1039/C8TC01182F","","","0.71073","MoKα","","0.1267","0.0661","","","0.1465","0.1745","","","","","","1.019","","","","has coordinates,has disorder","237587","2020-10-21","18:00:00",""
"7237315","12.2965","0.0012","16.5703","0.0015","14.9226","0.0012","90","","99.037","0.001","90","","3002.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F9 Ir N5 -","- C33 H19 F9 Ir N5 -","- C132 H76 F36 Ir4 N20 -","4","1","","Su, Ning; Lu, Guang-Zhao; Zheng, You-Xuan","Highly efficient green electroluminescence of iridium(iii) complexes based on (1H-pyrazol-5-yl)pyridine derivatives ancillary ligands with low efficiency roll-off","Journal of Materials Chemistry C","2018","6","21","5778","","10.1039/C8TC01182F","","","0.71073","MoKα","","0.0388","0.0319","","","0.0839","0.0873","","","","","","1.032","","","","has coordinates","237587","2020-10-21","18:00:00",""
"7237316","6.8969","0.0007","15.6638","0.0014","9.6068","0.001","90","","102.059","0.01","90","","1014.94","0.18","90","","90","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H8 Co N8 O5 Tb -","- C16 H8 Co N8 O5 Tb -","- C32 H16 Co2 N16 O10 Tb2 -","2","0.5","","Kumar, Kunal; Chorazy, Szymon; Nakabayashi, Koji; Sato, Hiroyasu; Sieklucka, Barbara; Ohkoshi, Shin-ichi","TbCo and Tb0.5Dy0.5Co layered cyanido-bridged frameworks for construction of colorimetric and ratiometric luminescent thermometers","Journal of Materials Chemistry C","2018","6","31","8372","","10.1039/C8TC01305E","","x-ray","0.71073","MoKα","","0.1509","0.1365","","","0.3487","0.3592","","","","","","1.524","","","","has coordinates,has disorder","237589","2020-10-21","18:00:00",""
"7237317","19.0256","0.0007","6.8065","0.0003","20.2686","0.0009","90","","102.703","0.002","90","","2560.49","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F4 N2 -","- C36 H20 F4 N2 -","- C144 H80 F16 N8 -","4","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1047","0.0646","","","0.1499","0.1699","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237318","22.949","0.002","9.1637","0.0009","31.752","0.003","90","","96.447","0.003","90","","6635.1","1.1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C368 H240 N32 -","8","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1392","0.0955","","","0.1759","0.194","","","","","","1.206","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237319","10.0321","0.0013","11.8164","0.0017","15.471","0.002","90.653","0.007","93.45","0.007","113.629","0.007","1675.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C92 H60 N8 -","2","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.0749","0.0461","","","0.1005","0.1127","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237320","8.1153","0.0005","17.5146","0.0011","36.762","0.002","90","","90","","90","","5225.2","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H20 F4 N2 -","- C36 H20 F4 N2 -","- C288 H160 F32 N16 -","8","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1134","0.0842","","","0.1618","0.1707","","","","","","1.286","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237321","8.8671","0.0003","34.1025","0.0012","12.0757","0.0003","90","","128.71","0.002","90","","2849.4","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N O2 S -","- C37 H27 N O2 S -","- C148 H108 N4 O8 S4 -","4","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.0436","0.0395","","","0.0964","0.0986","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237322","14.088","0.005","20.94","0.007","11.306","0.004","90","","113.423","0.004","90","","3060.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cu N8 O7 -","- C30 H29 Cu N8 O7 -","- C120 H116 Cu4 N32 O28 -","4","1","","Zheng, Xubin; Fan, Ruiqing; Xing, Kai; Wang, Ani; Du, Xi; Wang, Ping; Yang, Yulin","Dual-emissive nanocomposites based on Eu(iii) functionalized Cu(i)-coordination polymer for ratiometric fluorescent sensing and integrating Boolean logic operations","Journal of Materials Chemistry C","2018","6","23","6229","","10.1039/C8TC01425F","","","0.71073","MoKα","","0.0601","0.0429","","","0.141","0.152","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237323","13.4729","0.0006","11.6041","0.0005","24.7449","0.001","90","","97.034","0.002","90","","3839.5","0.3","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 O2 S -","- C50 H36 N2 S -","- C200 H144 N8 S4 -","4","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","","0.71073","MoKα","","0.0599","0.043","","","0.1036","0.114","","","","","","1.016","","","","has coordinates","237595","2020-10-21","18:00:00",""
"7237324","15.9689","0.0004","28.4291","0.0004","9.49878","0.00019","90","","106.722","0.002","90","","4129.91","0.15","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H37 Cl3 N2 O2 S -","- C51 H37 Cl3 N2 O2 S -","- C204 H148 Cl12 N8 O8 S4 -","4","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","x-ray","1.54184","CuKα","","0.0606","0.0478","","","0.1297","0.1399","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237325","10.2848","0.0006","9.012","0.0005","19.3052","0.0011","90","","91.856","0.005","90","","1788.39","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H32 N2 S -","- C50 H32 N2 S -","- C100 H64 N4 S2 -","2","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","x-ray","1.54184","CuKα","","0.0683","0.0543","","","0.1306","0.1409","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237326","22.874","0.003","4.0616","0.0006","22.609","0.003","90","","118.113","0.004","90","","1852.7","0.4","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","0.5","","Wang, Shan; Ma, Li; Wang, Qianyou; Shao, Pengpeng; Ma, Dou; Yuan, Shuai; Lei, Peng; Li, Pengfei; Feng, Xiao; Wang, Bo","Covalent organic frameworks: a platform for the experimental establishment of the influence of intermolecular distance on phosphorescence","Journal of Materials Chemistry C","2018","6","20","5369","","10.1039/C8TC01559G","","","0.71073","MoKα","","0.0581","0.0409","","","0.1012","0.113","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237327","26.689","0.005","18.782","0.004","25.868","0.005","90","","91.52","0.03","90","","12962","4","153","2","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H40 B F24 Ir N4 -","- C72 H40 B F24 Ir N4 -","- C576 H320 B8 F192 Ir8 N32 -","8","1","","Ma, Dongxin; Liu, Ruihuan; Qiu, Yong; Duan, Lian","High-performance yellow- and orange-emitting diodes based on novel sublimable cationic iridium(iii) complexes by ligand control","Journal of Materials Chemistry C","2018","6","21","5630","","10.1039/C8TC01566J","","","0.71073","MoKα","","0.1336","0.1127","","","0.3028","0.3386","","","","","","1.203","","","","has coordinates","237599","2020-10-21","18:00:00",""
"7237328","17.421","0.004","17.68","0.004","18.115","0.004","93.23","0.03","92.79","0.03","101.64","0.03","5446","2","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28 B F20 Ir N4 -","- C64 H28 B F20 Ir N4 -","- C256 H112 B4 F80 Ir4 N16 -","4","2","","Ma, Dongxin; Liu, Ruihuan; Qiu, Yong; Duan, Lian","High-performance yellow- and orange-emitting diodes based on novel sublimable cationic iridium(iii) complexes by ligand control","Journal of Materials Chemistry C","2018","6","21","5630","","10.1039/C8TC01566J","","","0.71073","MoKα","","0.0557","0.0451","","","0.1414","0.1837","","","","","","1.163","","","","has coordinates","237599","2020-10-21","18:00:00",""
"7237329","21.3125","0.0005","42.5673","0.0011","12.9321","0.0003","90","","94.654","0.002","90","","11693.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H48 In3 N4 O24 -","- C84 H48 In3 N4 O24 -","- C336 H192 In12 N16 O96 -","4","0.5","","Fu, Hong-Ru; Zhao, Ying; Xie, Tao; Han, Min-Le; Ma, Lu-Fang; Zang, Shuang-Quan","Stable dye-encapsulated indium‒organic framework as dual-emitting sensor for the detection of Hg2+/Cr2O72− and a wide range of nitro-compounds","Journal of Materials Chemistry C","2018","6","24","6440","","10.1039/C8TC01571F","","","0.71073","MoKα","","0.086","0.0715","","","0.1728","0.1796","","","","","","1.054","","","","has coordinates","237601","2020-10-21","18:00:00",""
"7237330","10.771","0.002","5.5138","0.0011","20.877","0.004","90","","98.08","0.03","90","","1227.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 S4 -","- C28 H22 O2 S4 -","- C56 H44 O4 S8 -","2","0.5","","Liao, Qing; Wang, Zhen; Gao, Qinggang; Zhang, Zhaoyi; Ren, Jiahuan; De, Jianbo; Zhang, Xiaosen; Xu, Zhenzhen; Fu, Hongbing","The effect of 1D- and 2D-polymorphs on organic single-crystal optoelectronic devices: lasers and field effect transistors","Journal of Materials Chemistry C","2018","6","30","7994","","10.1039/C8TC01584H","","","0.71073","MoKα","","0.0678","0.0612","","","0.1423","0.1465","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237331","14.239","0.003","9.3938","0.0019","9.0364","0.0018","90","","102.22","0.03","90","","1181.3","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 S4 -","- C28 H22 O2 S4 -","- C56 H44 O4 S8 -","2","0.5","","Liao, Qing; Wang, Zhen; Gao, Qinggang; Zhang, Zhaoyi; Ren, Jiahuan; De, Jianbo; Zhang, Xiaosen; Xu, Zhenzhen; Fu, Hongbing","The effect of 1D- and 2D-polymorphs on organic single-crystal optoelectronic devices: lasers and field effect transistors","Journal of Materials Chemistry C","2018","6","30","7994","","10.1039/C8TC01584H","","","0.710747","MoKα","","0.0586","0.051","","","0.121","0.1264","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237332","6.3301","0.0004","6.3301","0.0004","12.334","0.0017","90","","90","","120","","428.01","0.07","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Gd In O3 -","- Gd In O3 -","- Gd6 In6 O18 -","6","0.5","","Li, Yanbin; Wang, Yazhong; Tan, Wenjie; Wang, Wenbo; Zhang, Junjie; Kim, Jae Wook; Cheong, Sang-Wook; Tao, Xutang","Laser floating zone growth of improper geometric ferroelectric GdInO3 single crystals with Z6 topological defects","Journal of Materials Chemistry C","2018","6","26","7024","","10.1039/C8TC01664J","","","0.71073","MoKα","","0.0268","0.0205","","","0.0425","0.0451","","","","","","1.128","","","","has coordinates","237605","2020-10-21","18:00:00",""
"7237333","19.964","0.002","13.6664","0.0014","20.645","0.002","90","","90","","90","","5632.7","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H22 N4 O -","- C37 H22 N4 O -","- C296 H176 N32 O8 -","8","1","","Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo","Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance","Journal of Materials Chemistry C","2018","6","24","6543","","10.1039/C8TC01698D","","","0.71073","MoKα","","0.1096","0.0524","","","0.1186","0.1496","","","","","","0.978","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237334","10.3134","0.0009","13.439","0.001","18.0482","0.0015","80.535","0.003","88.487","0.003","83.795","0.003","2452.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Cl9 N5 O2 -","- C52 H32 Cl9 N5 O2 -","- C104 H64 Cl18 N10 O4 -","2","1","","Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo","Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance","Journal of Materials Chemistry C","2018","6","24","6543","","10.1039/C8TC01698D","","","0.71073","MoKα","","0.2118","0.1318","","","0.3557","0.4173","","","","","","1.204","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237335","26.3805","0.0003","26.3805","0.0003","26.3805","0.0003","90","","90","","90","","18359","0.4","293","2","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Gao, Ping; Sun, Xiang-Ying; Liu, Bin; Lian, Hui-Ting; Liu, Xin-Qiang; Shen, Jiang-Shan","Cu MOF-based catalytic sensing for formaldehyde","Journal of Materials Chemistry C","2018","6","30","8105","","10.1039/C8TC01703D","","","0.71073","MoKα","","0.0369","0.0297","","","0.0769","0.0818","","","","","","1.138","","","","has coordinates","237608","2020-10-21","18:00:00",""
"7237336","8.196","0.0001","17.4528","0.0003","22.7194","0.0004","85.2769","0.0007","88.8887","0.0009","79.7843","0.0011","3187.44","0.09","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 F4 N8 S6 -","- C68 H56 F8 N8 S6 -","- C136 H112 F16 N16 S12 -","2","1","","Yamamoto, Keitaro; Ie, Yutaka; Nitani, Masashi; Tohnai, Norimitsu; Kakiuchi, Fumitoshi; Zhang, Ke; Pisula, Wojciech; Asadi, Kamal; Blom, Paul W. M.; Aso, Yoshio","Oligothiophene quinoids containing a benzo[c]thiophene unit for the stabilization of the quinoidal electronic structure","Journal of Materials Chemistry C","2018","6","28","7493","","10.1039/C8TC01802B","","","0.8","","","0.1056","0.0744","","","0.1973","0.2269","","","","","","1.05","","","","has coordinates","237610","2020-10-21","18:00:00",""
"7237337","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","","","","- C11 H10 N0.11 O2 P -","- C12 H8.88889 N1.33333 O0.444444 P0.444444 -","- C108 H80 N12 O4 P4 -","9","2.25","","Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui","A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs","Journal of Materials Chemistry C","2018","6","25","6747","","10.1039/C8TC02010H","","","0.71073","MoKα","","0.073","0.0522","","","0.1553","0.1737","","","","","","1.099","","","","has coordinates","237612","2020-10-21","18:00:00",""
"7237338","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","","Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui","A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs","Journal of Materials Chemistry C","2018","6","25","6747","","10.1039/C8TC02010H","","","0.71073","MoKα","","0.0773","0.05","","","0.1144","0.1299","","","","","","1.015","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7237339","4.8832","0.0003","10.2613","0.0006","14.188","0.0009","106.954","0.005","94.112","0.004","97.995","0.005","668.68","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O2 S4 -","- C30 H32 N2 O2 S4 -","- C30 H32 N2 O2 S4 -","1","0.5","","Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure","Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains","Journal of Materials Chemistry C","2018","6","34","9140","","10.1039/C8TC02022A","","","1.54178","CuKα","","0.0825","0.0533","","","0.1245","0.1382","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237340","5.7223","0.0016","10.466","0.003","15.047","0.004","73.211","0.007","84.94","0.007","89.137","0.007","859.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N2 O2 S4 -","- C34 H40 N2 O2 S4 -","- C34 H40 N2 O2 S4 -","1","0.5","","Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure","Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains","Journal of Materials Chemistry C","2018","6","34","9140","","10.1039/C8TC02022A","","","0.71073","MoKα","","0.2114","0.1287","","","0.3072","0.354","","","","","","1.038","","","","has coordinates,has disorder","237614","2020-10-21","18:00:00",""
"7237341","6.7315","0.0004","15.9916","0.0009","6.9266","0.0004","90","","90.922","0.003","90","","745.53","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C H12 Cd3 Cl7 N O3 -","- C H12 Cd3 Cl7 N O3 -","- C2 H24 Cd6 Cl14 N2 O6 -","2","0.5","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0238","0.0192","","","0.0405","0.0424","","","","","","1.061","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237342","5.227","0.003","5.227","0.003","19.416","0.015","90","","90","","90","","530.5","0.6","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C4 H32 Cd2 Cl8 N4 -","- C4 H16 Cd2 Cl8 N4 -","- C4 H16 Cd2 Cl8 N4 -","1","0.03125","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0792","0.0777","","","0.1739","0.1766","","","","","","1.228","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237343","9.0205","0.0007","7.0051","0.0004","14.6747","0.0012","90","","90.509","0.007","90","","927.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H6 Cd I3 N -","- C H6 Cd I3 N -","- C4 H24 Cd4 I12 N4 -","4","1","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0795","0.0596","","","0.1591","0.1749","","","","","","1.14","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237344","10.55","0.0012","11.5139","0.0013","12.1433","0.0014","80.04","0.005","67.55","0.004","66.397","0.004","1248.9","0.3","175.81","","175.81","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H27 N O -","- C35 H27 N O -","- C70 H54 N2 O2 -","2","1","","Su, Xing; Ji, Yanglimin; Pan, Wanting; Chen, Siqi; Zhang, Yu-Mo; Lin, Tingting; Liu, Lulu; Li, Minjie; Liu, Yifei; Zhang, Sean Xiao-An","Pyrene spiropyran dyad: solvato-, acido- and mechanofluorochromic properties and its application in acid sensing and reversible fluorescent display","Journal of Materials Chemistry C","2018","6","26","6940","","10.1039/C8TC02208A","","","0.71073","MoKα","","0.107","0.0881","","","0.2723","0.2824","","","","","","1.127","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237345","11.6027","0.0005","16.4388","0.0007","23.841","0.001","90","","101.719","0.001","90","","4452.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 F6 Ir N3 P2 S2 -","- C48 H34 F6 Ir N3 P2 S2 -","- C192 H136 F24 Ir4 N12 P8 S8 -","4","1","","Xia, Jing-Cheng; Liang, Xiao; Yan, Zhi-Ping; Wu, Zheng-Guang; Zhao, Yue; Zheng, You-Xuan; Zhang, Wen-Wei","Iridium(iii) phosphors with bis(diphenylphorothioyl)amide ligand for efficient green and sky-blue OLEDs with EQE of nearly 28%","Journal of Materials Chemistry C","2018","6","33","9010","","10.1039/C8TC02265H","","","0.71073","MoKα","","0.0587","0.0384","","","0.086","0.094","","","","","","1.038","","","","has coordinates","237618","2020-10-21","18:00:00",""
"7237346","16.0999","0.0009","13.7659","0.0008","17.3693","0.001","90","","92.617","0.001","90","","3845.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Ir N3 P2 S2 -","- C46 H36 Ir N3 P2 S2 -","- C184 H144 Ir4 N12 P8 S8 -","4","1","","Xia, Jing-Cheng; Liang, Xiao; Yan, Zhi-Ping; Wu, Zheng-Guang; Zhao, Yue; Zheng, You-Xuan; Zhang, Wen-Wei","Iridium(iii) phosphors with bis(diphenylphorothioyl)amide ligand for efficient green and sky-blue OLEDs with EQE of nearly 28%","Journal of Materials Chemistry C","2018","6","33","9010","","10.1039/C8TC02265H","","","0.71073","MoKα","","0.0494","0.0303","","","0.0637","0.0723","","","","","","0.901","","","","has coordinates","237618","2020-10-21","18:00:00",""
"7237347","10.325","0.01","9.558","0.006","12.703","0.008","90","","90.73","0.07","90","","1253.5","1.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","","- C15 H34 B10 N2 O4 -","- C15 H34 B10 N2 O4 -","- C30 H68 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.1212","0.0592","","","0.1115","0.1196","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237348","11.118","0.007","9.389","0.004","13.347","0.007","90","","109.56","0.05","90","","1312.8","1.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0995","0.0583","","","0.1254","0.1345","","","","","","1.002","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237349","10.44","0.004","9.605","0.005","13.592","0.008","90","","102.89","0.04","90","","1328.6","1.2","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0879","0.0529","","","0.102","0.1064","","","","","","1.001","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237350","9.994","0.006","10.816","0.004","21.367","0.015","90","","90","","90","","2310","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C15 H32 B10 N2 O4 -","- C15 H32 B10 N2 O4 -","- C60 H128 B40 N8 O16 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0525","0.0404","","","0.0839","0.0857","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237351","7.376","0.003","11.388","0.003","31.773","0.017","90","","90","","90","","2668.9","1.9","295","2","295","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","(S,S)-tert-Butyl N-(3-formamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C18 H32 B10 N2 O4 -","- C18 H32 B10 N2 O4 -","- C72 H128 B40 N8 O16 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0895","0.0396","","","0.0734","0.0775","","","","","","1.0372","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237352","10.388","0.011","9.372","0.01","13.622","0.01","90","","107.01","0.08","90","","1268","2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0464","0.0402","","","0.099","0.1008","","","","","","1.003","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237353","9.797","0.005","10.754","0.004","27.432","0.013","90","","90","","90","","2890","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C20 H38 B10 N2 O5 -","- C20 H38 B10 N2 O5 -","- C80 H152 B40 N8 O20 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0469","0.0428","","","0.0973","0.0987","","","","","","1.007","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237354","12.565","0.011","17.879","0.006","13.048","0.005","90","","112.99","0.06","90","","2698","3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C19 H34 B10 N2 O4 -","- C19 H34 B10 N2 O4 -","- C76 H136 B40 N8 O16 -","4","2","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0972","0.0501","","","0.1006","0.1094","","","","","","0.9817","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237355","10.4838","0.0012","11.4338","0.0013","13.0145","0.0015","65.383","0.002","67.374","0.002","71.286","0.003","1284.9","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Ba3 O20 S4 -","- C44 H38 Ba3 O20 S4 -","- C44 H38 Ba3 O20 S4 -","1","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0405","0.0314","","","0.068","0.072","","","","","","1.128","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237356","11.4325","0.0013","23.171","0.002","9.7852","0.0011","90","","102.152","0.003","90","","2534","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ca N2 O10 -","- C24 H22 Ca N2 O10 -","- C96 H88 Ca4 N8 O40 -","4","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0877","0.0549","","","0.1209","0.1364","","","","","","1.063","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237357","10.2325","0.0004","10.4579","0.0004","11.665","0.0004","106.737","0.002","108.856","0.002","104.541","0.002","1046.5","0.07","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 O18 S2 Sr3 -","- C40 H26 O18 S2 Sr3 -","- C40 H26 O18 S2 Sr3 -","1","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0454","0.0354","","","0.0819","0.0877","","","","","","1.048","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237358","8.4386","0.0008","9.4891","0.0009","11.2415","0.0011","106.972","0.009","102.465","0.008","107.518","0.008","774.17","0.16","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0706","0.0499","","","0.1115","0.1282","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237359","13.907","0.0012","5.022","0.0006","33.693","0.003","90","","93.091","0.008","90","","2349.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O3 S -","- C27 H23 N3 O3 S -","- C108 H92 N12 O12 S4 -","4","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.0951","0.0595","","","0.1341","0.1571","","","","","","1.037","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237360","14.3135","0.0014","14.6015","0.0013","15.5923","0.0011","90","","101.462","0.007","90","","3193.8","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O S -","- C19 H15 N3 O S -","- C152 H120 N24 O8 S8 -","8","4","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.084","0.0549","","","0.1153","0.1347","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237361","18.4571","0.0008","16.2012","0.0007","6.5052","0.0004","90","","90","","90","","1945.23","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C92 H100 N12 O4 S4 -","4","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0601","0.0444","","","0.0998","0.1107","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237362","9.1703","0.0008","19.85","0.003","18.7033","0.0018","90","","102.929","0.009","90","","3318.3","0.7","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O S -","- C20 H14 N4 O S -","- C160 H112 N32 O8 S8 -","8","2","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.0742","0.049","","","0.1139","0.1339","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237363","10.2716","0.0009","10.9546","0.001","11.2649","0.001","99.583","0.008","111.659","0.008","113.273","0.009","1007.2","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N3 O S -","- C25 H19 N3 O S -","- C50 H38 N6 O2 S2 -","2","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0675","0.0452","","","0.1034","0.1211","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237364","15.0345","0.0012","7.1821","0.0006","31.643","0.003","90","","93.706","0.009","90","","3409.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C160 H136 N24 O16 S8 -","8","2","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.1532","0.1028","","","0.2657","0.3098","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237365","8.0493","0.0003","8.0493","0.0003","22.26","0.001","90","","90","","120","","1249.03","0.09","179.98","0.1","179.98","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.021","0.0193","","","0.047","0.0477","","","","","","1.267","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7237366","8.029","0.002","8.027","0.002","8.722","0.003","62.81","0.03","63.22","0.03","59.99","0.03","414.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","1","1","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1109","0.1152","","","","","","0.968","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7237367","12.345","0.005","9.502","0.005","18.61","0.005","90","0.005","99.448","0.005","90","0.005","2153.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 N4 O4 Zn -","- C9 H5 N4 O4 Zn -","- C36 H20 N16 O16 Zn4 -","4","1","","Zhou, En-Long; Qin, Chao; Tian, Dan; Wang, Xin-Long; Yang, Bing-Xiao; Huang, Ling; Shao, Kui-Zhan; Su, Zhong-Min","A difunctional metal‒organic framework with Lewis basic sites demonstrating turn-off sensing of Cu2+ and sensitization of Ln3+","Journal of Materials Chemistry C","2018","6","29","7874","","10.1039/C8TC02425A","","","0.71069","MoKα","","0.0979","0.0806","","","0.2592","0.279","","","","","","1.098","","","","has coordinates","237630","2020-10-21","18:00:00",""
"7237368","15.923","0.003","20.416","0.004","24.5","0.005","90","","90","","90","","7965","3","190","1","190","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cluster-1","","- C86 H72 N6 Nd2 O24 Zn2 -","- C86 H72 N6 Nd2 O24 Zn2 -","- C344 H288 N24 Nd8 O96 Zn8 -","4","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1211","0.0781","","","0.2313","0.2839","","","","","","1.097","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237369","18.0116","0.0004","22.1288","0.0005","19.8728","0.0003","90","","114.962","0.001","90","","7180.9","0.3","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-2","","- C118 H158 N4 Nd6 O63 Zn6 -","- C118 H158 N4 Nd6 O63 Zn6 -","- C236 H316 N8 Nd12 O126 Zn12 -","2","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1042","0.0953","","","0.2705","0.2868","","","","","","1.08","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237370","18.465","0.007","22.557","0.008","20.143","0.007","90","","115.879","0.006","90","","7549","5","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-3","","- C103 H110 N4 O57.5 Sm6 Zn6 -","- C103 H110 N4 O57.5 Sm6 Zn6 -","- C206 H220 N8 O115 Sm12 Zn12 -","2","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1925","0.0994","","","0.2647","0.3509","","","","","","1.022","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237371","6.0315","0.0017","7.416","0.002","26.164","0.007","88.67","0.02","88.29","0.02","85.06","0.02","1165.2","0.6","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H26 F20 N2 O10 -","- C54 H26 F20 N2 O10 -","- C54 H26 F20 N2 O10 -","1","0.5","","Lu, Bo; Zhang, Yujian; Yang, Xiaogang; Wang, Kai; Zou, Bo; Yan, Dongpeng","Piezochromic luminescence of AIE-active molecular co-crystals: tunable multiple hydrogen bonding and molecular packing","Journal of Materials Chemistry C","2018","6","36","9660","","10.1039/C8TC02444H","","","0.7107","MoKα","","0.0983","0.0544","","","0.0882","0.1127","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237372","9.3317","0.0016","9.3436","0.0016","10.531","0.0018","63.94","0.003","77.306","0.003","80.095","0.003","801.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H20 F8 N2 O6 -","- C38 H20 F8 N2 O6 -","- C38 H20 F8 N2 O6 -","1","0.5","","Lu, Bo; Zhang, Yujian; Yang, Xiaogang; Wang, Kai; Zou, Bo; Yan, Dongpeng","Piezochromic luminescence of AIE-active molecular co-crystals: tunable multiple hydrogen bonding and molecular packing","Journal of Materials Chemistry C","2018","6","36","9660","","10.1039/C8TC02444H","","","0.71073","MoKα","","0.077","0.0456","","","0.1137","0.1379","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237373","11.9322","0.0005","12.5611","0.0004","30.2148","0.0009","90","","90","","90","","4528.6","0.3","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 B2 N2 S2 -","- C28 H20 B2 N2 S2 -","- C224 H160 B16 N16 S16 -","8","2","","Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan","Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions","Journal of Materials Chemistry C","2018","6","39","10456","","10.1039/C8TC02449A","","","0.71073","MoKα","","0.0623","0.0468","","","0.1058","0.112","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237374","7.816","0.004","12.15","0.005","12.764","0.006","91.877","0.009","92.37","0.02","91.526","0.014","1210","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B2 N4 S3 -","- C28 H18 B2 N4 S3 -","- C56 H36 B4 N8 S6 -","2","1","","Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan","Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions","Journal of Materials Chemistry C","2018","6","39","10456","","10.1039/C8TC02449A","","","0.71073","MoKα","","0.043","0.0341","","","0.0933","0.0978","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237375","7.8392","0.0001","7.8392","0.0001","15.7523","0.0003","90","","90","","90","","968.03","0.03","130","2","130","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0398","0.0353","","","0.111","0.1165","","","","","","1.147","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237376","7.8468","0.0001","7.8468","0.0001","15.7718","0.0004","90","","90","","90","","971.11","0.03","160","2","160","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0441","0.0388","","","0.111","0.1199","","","","","","1.138","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237377","7.9148","0.0001","7.9148","0.0001","15.873","0.009","90","","90","","90","","994.3","0.6","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0729","0.0435","","","0.0758","0.0892","","","","","","1.157","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237378","7.6292","0.0001","7.6292","0.0001","15.259","0.006","90","","90","","90","","888.1","0.3","296","2","296","2","","","2010000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0606","0.0499","","","0.1112","0.1191","","","","","","1.15","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237379","7.7706","0.0003","7.7706","0.0003","15.666","0.012","90","","90","","90","","945.9","0.7","296","2","296","2","","","580000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.064","0.0474","","","0.0773","0.0865","","","","","","1.119","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237380","7.6937","0.0002","7.6937","0.0002","15.371","0.009","90","","90","","90","","909.9","0.5","296","2","296","2","","","1230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0526","0.041","","","0.0768","0.083","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237381","7.2305","0.0004","7.2305","0.0004","14.5","0.03","90","","90","","90","","758.1","1.6","296","2","296","2","","","9685000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1045","0.0767","","","0.1669","0.194","","","","","","1.226","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237382","7.319","0.0002","7.319","0.0002","14.595","0.013","90","","90","","90","","781.8","0.7","296","2","296","2","","","7850000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0691","0.0577","","","0.1382","0.1451","","","","","","1.139","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237383","7.1959","0.0005","7.1959","0.0005","14.39","0.03","90","","90","","90","","745.1","1.6","296","2","296","2","","","10665000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1003","0.0698","","","0.1664","0.1853","","","","","","1.187","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237384","7.8818","0.0001","7.8818","0.0001","15.8455","0.0004","90","","90","","90","","984.37","0.03","275","2","275","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0449","0.0361","","","0.0975","0.108","","","","","","1.075","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237385","7.8914","0.0001","7.8914","0.0001","15.8623","0.0003","90","","90","","90","","987.81","0.03","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0478","0.0333","","","0.0895","0.1002","","","","","","1.061","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237386","7.856","0.0001","7.856","0.0001","15.7916","0.0004","90","","90","","90","","974.61","0.03","190","2","190","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0428","0.0375","","","0.1086","0.1159","","","","","","1.132","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237387","7.865","0.0001","7.865","0.0001","15.8105","0.0004","90","","90","","90","","978.01","0.03","220","2","220","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0431","0.0367","","","0.1047","0.1126","","","","","","1.143","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237388","7.1293","0.0006","7.1293","0.0006","14.38","0.03","90","","90","","90","","730.9","1.5","296","2","296","2","","","11980000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1273","0.0865","","","0.1933","0.217","","","","","","1.177","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237389","7.4964","0.0002","7.4964","0.0002","15.034","0.008","90","","90","","90","","844.9","0.5","296","2","296","2","","","4035000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0619","0.0512","","","0.1145","0.1204","","","","","","1.247","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237390","7.5655","0.0001","7.5655","0.0001","15.147","0.006","90","","90","","90","","867","0.3","296","2","296","2","","","2770000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0605","0.0485","","","0.1097","0.1176","","","","","","1.231","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237391","7.1172","0.0007","7.1172","0.0007","14.3","0.03","90","","90","","90","","724.4","1.5","296","2","296","2","","","12675000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1457","0.0822","","","0.2267","0.3053","","","","","","1.037","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237392","7.2677","0.0003","7.2677","0.0003","14.46","0.02","90","","90","","90","","763.8","1.1","296","2","296","2","","","9230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0924","0.0726","","","0.1855","0.1986","","","","","","1.235","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237393","7.387","0.0001","7.387","0.0001","14.791","0.008","90","","90","","90","","807.1","0.4","296","2","296","2","","","6165000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0663","0.0543","","","0.1311","0.1376","","","","","","1.269","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237394","7.8745","0.0001","7.8745","0.0001","15.8305","0.0004","90","","90","","90","","981.61","0.03","250","2","250","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0447","0.037","","","0.1026","0.1117","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237395","10.3825","0.0008","11.223","0.0005","15.1415","0.0009","90","","90.205","0.006","90","","1764.32","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 N3 O12 Re3 -","- C7 H16 N3 O12 Re3 -","- C28 H64 N12 O48 Re12 -","4","1","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.0581","0.0506","","","0.1161","0.1212","","","","","","1.155","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237396","7.699","0.004","7.699","0.004","7.699","0.004","90","","90","","90","","456.4","0.4","403","2","403","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C7 N O12 Re3 -","- C7 N O12 Re3 -","- C7 N O12 Re3 -","1","0.0208333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.0531","0.0512","","","0.135","0.1362","","","","","","1.352","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237397","7.4699","0.0006","7.4699","0.0006","7.4699","0.0006","90","","90","","90","","416.82","0.06","408","2","408","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H20 B3 F12 N3 -","- C9.1 B3 F12 N -","- C9.1 B3 F12 N -","1","0.0208333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.2701","0.2214","","","0.6111","0.6333","","","","","","2.454","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237398","10.213","0.002","10.213","0.002","53.387","0.009","90","","90","","120","","4822.5","1.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C7 H20 B3 F12 N3 -","- C7 H16 B3 F12 N3 -","- C84 H192 B36 F144 N36 -","12","0.333333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.147","0.1254","","","0.3255","0.3425","","","","","","1.129","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237399","13.7631","0.0007","11.4154","0.0009","34.944","0.004","90","","90","","90","","5490.1","0.8","295.9","0.8","295.9","0.8","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmT","","- C36 H28 N4 -","- C36 H28 N4 -","- C288 H224 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine–triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.0692","0.0438","","","0.1099","0.1273","","","","","","1.0184","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237400","17.1418","0.0011","8.1149","0.0007","45.495","0.005","90","","90","","90","","6328.5","1","294.17","0.1","294.17","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmmT","","- C42 H32 N4 -","- C42 H32 N4 -","- C336 H256 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine–triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.1526","0.0772","","","0.1829","0.2467","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237401","12.8855","0.0004","12.8855","0.0004","19.6018","0.001","90","","90","","90","","3254.6","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","","","","- C18 H15 N5 S -","- C18 H15 N5 S -","- C144 H120 N40 S8 -","8","1","","Venkataramudu, Uppari; Sahoo, Chakradhar; Leelashree, Solaiappan; Venkatesh, Mottamchetty; Ganesh, Damarla; Naraharisetty, Sri Ram Gopal; Chaudhary, Anil Kumar; Srinath, Sanyadanam; Chandrasekar, Rajadurai","Terahertz radiation and second-harmonic generation from a single-component polar organic ferroelectric crystal","Journal of Materials Chemistry C","2018","6","35","9330","","10.1039/C8TC02638F","","","1.54184","CuKα","","0.0374","0.0348","","","0.0881","0.0909","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237402","9.2899","0.0003","19.4917","0.0007","31.1683","0.0011","90","","90","","90","","5643.8","0.3","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12.5 F2 S -","- C18 H12 F2 S -","- C288 H192 F32 S16 -","16","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Chen, Xiaojie; Yang, Zhan; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Design, synthesis and photochromism studies of thienyl containing triarylethylene derivatives and their applications in real-time photoresponsive surfaces","Journal of Materials Chemistry C","2018","6","32","8832","","10.1039/C8TC02698J","","x-ray","1.54184","CuKα","","0.0845","0.0652","","","0.2092","0.2803","","","","","","1.147","","","","has coordinates","237648","2020-10-21","18:00:00",""
"7237403","11.6109","0.0004","10.4279","0.0004","13.0037","0.0005","90","","95.052","0.001","90","","1568.34","0.1","199","2","119","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9ACA-TFP","9-acetylanthracene-tetrafluoroterephthalonitrile","","- C40 H24 F4 N2 O2 -","- C40 H24 F4 N2 O2 -","- C80 H48 F8 N4 O4 -","2","0.5","","Wang, Jing; Li, Aisen; Xu, Shuping; Li, Bao; Song, Chongping; Geng, Yijia; Chu, Ning; He, Jian; Xu, Weiqing","Tunable luminescence of a novel organic co-crystal based on intermolecular charge transfer under pressure","Journal of Materials Chemistry C","2018","6","33","8958","","10.1039/C8TC02748J","","","0.71073","MoKα","","0.1001","0.0539","","","0.1278","0.1539","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237404","19.0281","0.0018","17.4257","0.0017","26.483","0.003","90","","108.859","0.002","90","","8309.8","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 N9 Nd O15 Zn2 -","- C72 H66 N9 Nd O15 Zn2 -","- C288 H264 N36 Nd4 O60 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Baoning; Liu, Lin; Li, Wentao; Zhang, Zhao; Lü, Xingqiang","Zn2Yb-Grafted and star-shaped metallopolymers for efficient near-infrared (NIR) polymer light-emitting diodes (PLEDs)","Journal of Materials Chemistry C","2018","6","33","8950","","10.1039/C8TC02776E","","","0.71073","MoKα","","0.197","0.0761","","","0.1845","0.2402","","","","","","0.873","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237405","14.0146","0.0002","7.1563","0.0001","16.2662","0.0002","90","","90","","90","","1631.38","0.04","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C16 H64 Bi4 Br24 N12 -","4","1","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0459","0.0396","","","0.1077","0.1121","","","","","","1.028","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7237406","13.8796","0.0009","7.367","0.0005","8.0696","0.0006","90","","90","","90","","825.12","0.1","345","2","345","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C8 H32 Bi2 Br12 N6 -","2","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0857","0.0694","","","0.2051","0.2241","","","","","","1.081","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7237407","31.7468","0.0014","15.6233","0.0007","19.5833","0.0009","90","","101.338","0.003","90","","9523.6","0.7","123","","123","","","","","","","","Murat Alkan","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Cu F6 N2 O2 P3 S -","- C48 H40 Cu F6 N2 O P3 S -","- C384 H320 Cu8 F48 N16 O8 P24 S8 -","8","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.1221","0.0716","","0.2423","0.1918","0.2406","","","","","","1.0159","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237408","10.7304","0.0008","43.541","0.003","9.6702","0.0007","90","","108.26","0.004","90","","4290.5","0.5","123","","123","","","","","","","","Murat Alkan","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Cu F6 N2 O2 P3 -","- C47 H38 Cu F6 N2 O2 P3 -","- C188 H152 Cu4 F24 N8 O8 P12 -","4","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0977","0.0951","","0.2338","0.2331","0.2338","","","","","","1.0713","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237409","16.3593","0.001","20.1565","0.0012","26.5917","0.0017","90","","90","","90","","8768.5","0.9","123","","123","","","","","","","","Murat Alkan","7","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cu F6 N2 O2 P3 -","- C48 H40 Cu F6 N2 O2 P3 -","- C384 H320 Cu8 F48 N16 O16 P24 -","8","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0453","0.0397","","0.0991","0.0964","0.0991","","","","","","0.9818","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237410","10.8766","0.0006","15.2866","0.0009","18.4018","0.001","106.817","0.004","102.402","0.003","107.943","0.004","2626.6","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C51.5 H46 Cl Cu F6 N2 O2.5 P3 -","- C51.5 H46 Cl Cu F6 N2 O2.5 P3 -","- C103 H92 Cl2 Cu2 F12 N4 O5 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.1131","0.0874","","0.2367","0.218","0.2367","","","","","","1.1211","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237411","10.9194","0.0005","15.3624","0.0008","16.8151","0.0009","95.111","0.003","93.76","0.003","107.807","0.003","2662","0.2","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C57 H59 Cu F6 N2 O2.5 P3 S -","- C55 H54 Cu F6 N2 O2 P3 S -","- C110 H108 Cu2 F12 N4 O4 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0654","0.0597","","0.1481","0.1461","0.1479","","","","","","1.0908","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237412","9.9139","0.0009","14.2468","0.0013","15.7717","0.0014","82.112","0.003","84.629","0.003","71.123","0.003","2085","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C47 H38 Cu F6 N2 O P3 S -","- C47 H38 Cu F6 N2 O P3 S -","- C94 H76 Cu2 F12 N4 O2 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0454","0.0453","","0.0847","0.0847","0.0847","","","","","","0.9337","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237413","14.4382","0.0009","17.197","0.0011","21.5959","0.0014","107.797","0.003","104.175","0.003","94.745","0.003","4877.4","0.6","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C105.5 H83 Cl3 Cu2 F12 N4 O4 P6 -","- C104.5 H81 Cl Cu2 F12 N4 O4 P6 -","- C209 H162 Cl2 Cu4 F24 N8 O8 P12 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0582","0.0547","","0.1445","0.1435","0.1445","","","","","","0.9889","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237414","9.8131","0.0014","28.886","0.004","16.433","0.003","90","","103.04","0.006","90","","4538","1.2","123","","123","","","","","","","","Murat Alkan","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cu F6 N2 O P3 S -","- C52 H40 Cu F6 N2 O P3 S -","- C208 H160 Cu4 F24 N8 O4 P12 S4 -","4","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0386","0.0377","","0.0861","0.0859","0.0861","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237415","10.9025","0.0007","13.2292","0.0009","17.8354","0.0012","80.615","0.003","84.731","0.003","83.868","0.003","2516.2","0.3","123","","123","","","","","","","","Murat Alkan","9","P -1","-P 1","2","","","","- C55.5 H45 Cl Cu F6 N2 O P3 S -","- C55 H44 Cu F6 N2 O P3 S -","- C110 H88 Cu2 F12 N4 O2 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0525","0.047","","0.1258","0.1233","0.1258","","","","","","1.0152","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237416","10.9394","0.0009","15.1458","0.0011","18.178","0.0014","109.391","0.004","98.101","0.004","108.096","0.004","2598.5","0.4","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C53 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C53 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C106 H98 Cl4 Cu2 F12 N4 O5 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.087","0.0789","","0.206","0.202","0.2059","","","","","","1.0785","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237417","10.9688","0.0006","15.3886","0.0008","18.2399","0.001","110.3","0.0017","97.3701","0.0019","108.602","0.0018","2636","0.3","123","","123","","","","","","","","Murat Alkan","9","P -1","-P 1","2","","","","- C52.5 H48 Cl Cu F6 N2 O1.5 P3 S -","- C52.5 H48 Cl Cu F6 N2 O1.5 P3 S -","- C105 H96 Cl2 Cu2 F12 N4 O3 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0634","0.0613","","0.1727","0.1715","0.1727","","","","","","0.981","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237418","13.3823","0.0008","14.0597","0.0008","17.5669","0.001","103.548","0.003","112.186","0.003","98.856","0.003","2865.4","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C58 H50 Cl6 Cu F6 N2 O2 P3 -","- C58 H50 Cl6 Cu F6 N2 O2 P3 -","- C116 H100 Cl12 Cu2 F12 N4 O4 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0771","0.0697","","0.1855","0.1821","0.1855","","","","","","1.0491","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237419","10.8061","0.0004","8.7128","0.0003","11.6109","0.0004","90","","90.422","0.003","90","","1093.15","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F5 N O -","- C11 H8 F5 N O -","- C44 H32 F20 N4 O4 -","4","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0355","0.0323","","","0.0839","0.086","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237420","16.3067","0.0004","18.7491","0.0004","19.7051","0.0005","90","","108.847","0.003","90","","5701.5","0.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F Ir N3 O -","- C37 H27 F Ir N3 O -","- C296 H216 F8 Ir8 N24 O8 -","8","2","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0668","0.0465","","","0.0941","0.1022","","","","","","1.05","","","","has coordinates,has disorder","237657","2020-10-21","18:00:00",""
"7237421","27.6629","0.001","9.1355","0.0002","29.0965","0.0011","90","","117.344","0.005","90","","6531.5","0.5","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H29 F3 Ir N3 O1.5 -","- C38.5 H29 F3 Ir N3 O1.5 -","- C308 H232 F24 Ir8 N24 O12 -","8","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0998","0.1047","","","","","","1.07","","","","has coordinates,has disorder","237657","2020-10-21","18:00:00",""
"7237422","16.4734","0.0006","12.7322","0.0005","31.2845","0.0011","90","","99.973","0.003","90","","6462.5","0.4","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 F4 Ir N3 O3 -","- C40 H30 F4 Ir N3 O3 -","- C320 H240 F32 Ir8 N24 O24 -","8","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0332","0.0264","","","0.0681","0.0722","","","","","","1.008","","","","has coordinates","237657","2020-10-21","18:00:00",""
"7237423","10.9781","0.001","14.0982","0.0011","16.9572","0.0013","105.647","0.007","108.8","0.008","100.832","0.007","2281.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N12 O16 P4 Zn3 -","- C40 H36 N12 O16 P4 Zn3 -","- C80 H72 N24 O32 P8 Zn6 -","2","1","","Ma, Yu-Juan; Han, Song-De; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","An inorganic‒organic hybrid framework from the assembly of an electron-rich diphosphonate and electron-deficient tripyridyl moiety","Journal of Materials Chemistry C","2018","6","35","9341","","10.1039/C8TC02903B","","","0.71073","MoKα","","0.0874","0.0523","","","0.1108","0.1261","","","","","","1.002","","","","has coordinates","237659","2020-10-21","18:00:00",""
"7237424","10.9701","0.0007","14.1004","0.0006","16.9569","0.0008","105.651","0.004","108.779","0.005","100.702","0.004","2281.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N12 O16 P4 Zn3 -","- C40 H36 N12 O16 P4 Zn3 -","- C80 H72 N24 O32 P8 Zn6 -","2","1","","Ma, Yu-Juan; Han, Song-De; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","An inorganic‒organic hybrid framework from the assembly of an electron-rich diphosphonate and electron-deficient tripyridyl moiety","Journal of Materials Chemistry C","2018","6","35","9341","","10.1039/C8TC02903B","","","0.71073","MoKα","","0.0655","0.0411","","","0.1003","0.1092","","","","","","1.028","","","","has coordinates","237661","2020-10-21","18:00:00",""
"7237425","13.226","0.004","6.747","0.002","10.358","0.003","90","","94.474","0.004","90","","921.5","0.5","296","1","296","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2*-Bifuran-3,3*-dicarboxylic acid","","","- C10 H6 O6 -","- C10 H6 O6 -","- C40 H24 O24 -","4","0.5","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.051","0.0493","","","0.1216","0.123","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237426","19.822","0.003","7.252","0.001","21.178","0.003","90","","90","","90","","3044.3","0.8","292","1","292","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C128 H128 Br8 N8 O32 -","8","1","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0561","0.035","","","0.09","0.101","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237427","16.043","0.005","9.527","0.003","39.119","0.011","90","","95.887","0.005","90","","5947","3","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H33 Cl N2 O8 -","- C32.5 H33 Cl N2 O8 -","- C260 H264 Cl8 N16 O64 -","8","2","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.138","0.0949","","","0.194","0.2145","","","","","","1.134","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237428","9.814","0.002","18.944","0.004","8.825","0.002","90","","92.819","0.004","90","","1638.7","0.6","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,2*-Bifuran-3,3*dicarboxylic anhydride","","","- C10 H4 O5 -","- C10 H4 O5 -","- C80 H32 O40 -","8","2","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0795","0.0758","","","0.1485","0.1504","","","","","","1.306","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237429","12.4217","0.0017","12.8676","0.0017","13.2285","0.0018","91.138","0.002","92.183","0.002","94.864","0.002","2104.7","0.5","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C96 H102 N6 O24 -","6","3","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0616","0.0536","","","0.1403","0.1526","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237430","8.962","0.001","22.105","0.004","8.691","0.001","90","","104.837","0.003","90","","1664.3","0.4","292","1","292","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br2 N O4 -","- C16 H15 Br2 N O4 -","- C64 H60 Br8 N4 O16 -","4","1","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0494","0.0334","","","0.0802","0.0849","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237431","10.1937","0.0012","24.9479","0.0016","7.566","0.002","90","","119.872","0.017","90","","1668.5","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","EE","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","1","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.0707","0.0504","","","0.1122","0.1219","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237432","9.833","0.004","35.533","0.002","5.6192","0.0019","90","","102.816","0.006","90","","1914.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DME","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C92 H88 B4 N4 O8 -","4","1","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1726","0.1014","","","0.176","0.2032","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237433","8.113","0.003","16.548","0.006","25.312","0.01","90","","91.568","0.009","90","","3397","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PE","","- C21 H18 B N O2 -","- C21 H18 B N O2 -","- C168 H144 B8 N8 O16 -","8","2","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1132","0.0554","","","0.1173","0.1358","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237434","8.0038","0.0019","17.3205","0.0012","26.7265","0.001","101.028","0.011","91.667","0.01","100.889","0.002","3563","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","IPE","","- C21 H17 B N O2 -","- C21 H17 B N O2 -","- C168 H136 B8 N8 O16 -","8","4","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.2327","0.0741","","","0.132","0.1596","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237435","24.979","0.002","8.94","0.001","19.1","0.0005","90","","104.664","0.012","90","","4126.3","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","TME","","- C24 H24 B N O2 -","- C24 H24 B N O2 -","- C192 H192 B8 N8 O16 -","8","2","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1477","0.0719","","","0.1607","0.1866","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237436","7.2606","0.0004","13.8198","0.0007","17.5138","0.0009","105.274","0.0017","94.0471","0.0019","103.967","0.0018","1628.15","0.15","120","","120","","","","","","","","","6","P -1","-P 1","2","","2,8-Bis(phenothiazin-10-yl)dibenzo[b,d]thiophene, deuterochloroform monosolvate","","- C37 H22 Cl3 D N2 S3 -","- C36.97 H22 Cl2.91 D0.97 N2 S3 -","- C73.94 H44 Cl5.82 D1.94 N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","0.71073","MoKα","","0.0771","0.0539","","","0.131","0.1432","","","","","","1.021","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237437","11.7234","0.0004","14.3733","0.0004","18.1421","0.0006","90","","101.501","0.002","90","","2995.63","0.17","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8-bis(1-methyl-10H-phenothiazin-10-yl)dibenzo[b,d]thiophene","","- C38 H26 N2 S3 -","- C38 H26 N2 S3 -","- C152 H104 N8 S12 -","4","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.0962","0.0556","","","0.102","0.1131","","","","","","1.077","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237438","27.5841","0.0007","14.4337","0.0004","8.0484","0.0002","90","","90.3137","0.0014","90","","3204.35","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 S3 -","- C42 H34 N2 S3 -","- C168 H136 N8 S12 -","4","0.5","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.0497","0.0348","","","0.0803","0.0861","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237439","8.6239","0.0003","13.7187","0.0005","14.3075","0.0006","66.09","0.002","74.501","0.003","73.864","0.003","1463.27","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","2,8-Bis(phenothiazin-10-yl)dibenzo[b,d]thiophene, deuterochloroform hemisolvate","","- C36.5 H22 Cl1.5 D0.5 N2 S3 -","- C36.5 H22 Cl1.5 D0.5 N2 S3 -","- C73 H44 Cl3 D N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.1145","0.0594","","","0.1363","0.1661","","","","","","1.034","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237440","7.9477","0.0004","11.9549","0.0007","15.9521","0.0009","91.458","0.002","95.161","0.002","92.542","0.002","1507.38","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 N2 S3 -","- C38 H26 N2 S3 -","- C76 H52 N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","0.71073","MoKα","","0.0703","0.0469","","","0.109","0.1176","","","","","","1.032","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237441","11.0581","0.0004","15.5487","0.0006","20.2305","0.0008","93.7823","0.0019","97.0827","0.0019","93.6859","0.0017","3435.1","0.2","120","2","120","","","","","","","","","5","P -1","-P 1","2","","2,8-bis(1-methyl-10H-phenothiazin-10-yl)dibenzo[b,d]thiophene, chloroform solvate","","- C39 H27 Cl3 N2 S3 -","- C39 H27 Cl3 N2 S3 -","- C156 H108 Cl12 N8 S12 -","4","2","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.1376","0.079","","","0.1654","0.1934","","","","","","1.025","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237442","22.2948","0.0013","11.2922","0.0005","16.7094","0.0007","90","","91.191","0.004","90","","4205.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cl Cu N4 O12 -","- C44 H32 Cl Cu N4 O12 -","- C176 H128 Cl4 Cu4 N16 O48 -","4","0.5","","Cretu, C.; Andelescu, A. A.; Candreva, A.; Crispini, A.; Szerb, E. I.; La Deda, M.","Bisubstituted-biquinoline Cu(i) complexes: synthesis, mesomorphism and photophysical studies in solution and condensed states","Journal of Materials Chemistry C","2018","6","37","10073","","10.1039/C8TC02999G","","","0.71073","MoKα","","0.0694","0.0438","","","0.1054","0.1194","","","","","","1.007","","","","has coordinates,has disorder","237668","2020-10-21","18:00:00",""
"7237443","20.194","0.017","31.65","0.03","33.78","0.03","90","","90","","90","","21590","3","110","2","110","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal–organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","0.71073","MoKα","","0.2322","0.0648","","","0.1358","0.17","","","","","","0.779","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7237444","17.723","0.005","32.705","0.003","34.67","0.004","90","","90","","90","","20096","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O24.5 Zr3 -","- C40 H21 N O24.5 Zr3 -","- C320 H168 N8 O196 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.2921","0.1339","","","0.2853","0.3539","","","","","","1.019","","","","has coordinates,has disorder","237670","2020-10-21","18:00:00",""
"7237445","22.249","0.0006","31.0425","0.0008","33.0217","0.0007","90","","90","","90","","22806.9","1","100","0.1","100","0.1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","x-ray","1.54184","CuKα","","0.1044","0.078","","","0.2297","0.2549","","","","","","1.002","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237446","24.627","0.0008","36.7534","0.001","39.9531","0.0007","90","","90","","90","","36162.6","1.7","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C56 H27 N O16 Zr3 -","- C56 H27 N O16 Zr3 -","- C448 H216 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.1407","0.0728","","","0.2055","0.2456","","","","","","0.931","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237447","21.5401","0.0006","33.1625","0.0006","31.9996","0.0009","90","","90","","90","","22858.1","1","100.01","0.1","100.01","0.1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C41 H23 N O16 Zr3 -","- C41 H23 N O16 Zr3 -","- C328 H184 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","x-ray","1.54184","CuKα","","0.0681","0.0466","","","0.1162","0.1229","","","","","","0.848","","","","has coordinates,has disorder","237670","2020-10-21","18:00:00",""
"7237448","17.723","0.005","32.705","0.003","34.67","0.004","90","","90","","90","","20096","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.2695","0.1153","","","0.2145","0.2653","","","","","","1.052","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237449","6.2986","0.0001","9.3042","0.0002","18.9025","0.0004","83.2337","0.0007","85.7251","0.0007","86.4","0.0008","1095.34","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 N2 O10 S2 -","- C42 H68 N2 O10 S2 -","- C42 H68 N2 O10 S2 -","1","0.5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Anion-induced ionic liquid crystals of diphenylviologens","Journal of Materials Chemistry C","2018","6","35","9430","","10.1039/C8TC03090A","","","1.54178","CuKα","","0.0431","0.0395","","","0.1063","0.1094","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237450","7.7273","0.0002","10.0812","0.0003","30.1503","0.0009","98.0699","0.001","93.6023","0.0011","93.0372","0.0011","2316.33","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H67 B2 F8 N2 O2.5 -","- C46 H67 B2 F8 N2 O2.5 -","- C92 H134 B4 F16 N4 O5 -","2","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Anion-induced ionic liquid crystals of diphenylviologens","Journal of Materials Chemistry C","2018","6","35","9430","","10.1039/C8TC03090A","","","1.54178","CuKα","","0.0845","0.0692","","","0.1827","0.196","","","","","","1.041","","","","has coordinates,has disorder","237672","2020-10-21","18:00:00",""
"7237451","8.83","0.0007","22.2396","0.0016","24.8071","0.0019","90","","96.111","0.007","90","","4843.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H65 B F2 N2 S4 -","- C56 H65 B F2 N2 S4 -","- C224 H260 B4 F8 N8 S16 -","4","0.5","","Huaulmé, Quentin; Sutter, Alexandra; Fall, Sadiara; Jacquemin, Denis; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles; Leclerc, Nicolas","Versatile synthesis of α-fused BODIPY displaying intense absorption in the NIR region and high electron affinity","Journal of Materials Chemistry C","2018","6","37","9925","","10.1039/C8TC03138J","","","0.71075","MoKα","","0.0458","0.0363","","","0.095","0.0999","","","","","","1.038","","","","has coordinates,has disorder","237674","2020-10-21","18:00:00",""
"7237452","12.4977","0.0009","13.21","0.0009","17.249","0.0012","86.049","0.005","71.684","0.005","65.153","0.005","2446.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 B F2 N2 S4 -","- C56 H65 B F2 N2 S4 -","- C112 H130 B2 F4 N4 S8 -","2","1","","Huaulmé, Quentin; Sutter, Alexandra; Fall, Sadiara; Jacquemin, Denis; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles; Leclerc, Nicolas","Versatile synthesis of α-fused BODIPY displaying intense absorption in the NIR region and high electron affinity","Journal of Materials Chemistry C","2018","6","37","9925","","10.1039/C8TC03138J","","","0.71075","MoKα","","0.0414","0.0346","","","0.0825","0.0872","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237453","24.28","0.002","7.813","0.0005","8.0236","0.0006","90","","98.476","0.003","90","","1505.45","0.19","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C24 H72 Br10.4 Cl5.6 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0803","0.073","","","0.2238","0.2326","","","","","","1.074","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237454","24.3453","0.0017","7.8535","0.0003","8.1277","0.0005","90","","98.776","0.006","90","","1535.79","0.16","100","0.2","100","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C24 H68 Br13.6 Cl2.4 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.068","0.0579","","","0.1512","0.1658","","","","","","1.054","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237455","24.3895","0.001","7.8879","0.0003","8.2067","0.0003","90","","98.966","0.002","90","","1559.53","0.1","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C24 H72 Br15.2 Cl0.8 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0458","0.0408","","","0.1197","0.1245","","","","","","1.073","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237456","23.9782","0.0013","7.609","0.0004","7.8269","0.0005","90","","97.496","0.005","90","","1415.81","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H18 Cl4 N2 Pb -","- C6 H18 Cl4 N2 Pb -","- C24 H72 Cl16 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0315","0.02","","","0.0361","0.0409","","","","","","1.039","","","","has coordinates","237678","2020-10-21","18:00:00",""
"7237459","19.2078","0.0018","5.731","0.003","19.5573","0.0014","90","","113.257","0.009","90","","1977.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C104 H88 N8 -","8","2","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.1685","0.0648","","","0.1303","0.1559","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237460","5.455","0.004","12.3116","0.0019","17.4777","0.0013","90","","97.756","0.014","90","","1163.1","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C3CZ","","","- C15 H15 N -","- C15 H15 N -","- C60 H60 N4 -","4","1","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.0603","0.0399","","","0.0892","0.0957","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237461","15.959","0.002","7.57","0.001","22.195","0.001","90","","90","","90","","2681.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N -","- C17 H19 N -","- C136 H152 N8 -","8","1","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.1086","0.0609","","","0.1412","0.1649","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237462","15.977","0.004","20.66","0.006","21.585","0.006","87.716","0.008","78.525","0.007","69.014","0.005","6515","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H96 Ag3 Cl3 N2 O8 P8 Pt -","- C110 H96 Ag3 Cl3 N2 O8 P8 Pt -","- C220 H192 Ag6 Cl6 N4 O16 P16 Pt2 -","2","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.0607","0.0466","","","0.1117","0.1172","","","","","","0.942","","","","has coordinates,has disorder","237682","2020-10-21","18:00:00",""
"7237463","16.1494","0.0005","16.6691","0.0004","17.1465","0.0005","89.757","0.002","84.078","0.002","64.064","0.002","4124.4","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C164 H106 Au2 B2 Cl6 F60 N0 P8 Pt -","- C164 H106 Au2 B2 Cl6 F60 P8 Pt -","- C164 H106 Au2 B2 Cl6 F60 P8 Pt -","1","0.5","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","1.54178","CuKα","","0.0522","0.0495","","","0.1343","0.1371","","","","","","1.042","","","","has coordinates,has disorder","237682","2020-10-21","18:00:00",""
"7237464","19.075","0.004","20.069","0.004","20.257","0.004","100.71","0.03","96.56","0.03","116.03","0.03","6676","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H96 Au3 Cl3 N2 O8 P8 Pt -","- C118 H96 Au3 Cl3 N2 O8 P8 Pt -","- C236 H192 Au6 Cl6 N4 O16 P16 Pt2 -","2","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.1165","0.0902","","","0.2027","0.2152","","","","","","0.928","","","","has coordinates","237682","2020-10-21","18:00:00",""
"7237465","19.1023","0.0004","21.5915","0.0005","27.356","0.0006","90","","109.887","0.001","90","","10610.1","0.4","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C202 H152 Ag2 B2 Cl0 F48 O0 P10 Pt -","- C202 H152 Ag2 B2 F48 P10 Pt -","- C404 H304 Ag4 B4 F96 P20 Pt2 -","2","0.5","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.0856","0.0638","","","0.1857","0.2033","","","","","","1.087","","","","has coordinates","237682","2020-10-21","18:00:00",""
"7237466","15.987","0.003","11.2031","0.0019","11.3627","0.0017","90","","100.358","0.005","90","","2001.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TPA-BT-CN","TPA-BT-CN","","- C25 H16 N4 S -","- C25 H16 N4 S -","- C100 H64 N16 S4 -","4","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Li, Si-Hua; Dong, Zhi-Liang; Fung, Man-Keung; Jiang, Zuo-Quan; Liao, Liang-Sheng","Thermally activated delayed fluorescence sensitizer for D–A–A type emitters with orange-red light emission","Journal of Materials Chemistry C","2018","6","37","10030","","10.1039/C8TC03287D","","","0.71073","MoKα","","0.0749","0.0454","","","0.1251","0.141","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237467","36.066","0.011","7.737","0.002","16.095","0.004","90","","91.584","0.009","90","","4489","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ACR-BT-CN","ACR-BT-CN","","- C28 H20 N4 S -","- C28 H20 N4 S -","- C224 H160 N32 S8 -","8","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Li, Si-Hua; Dong, Zhi-Liang; Fung, Man-Keung; Jiang, Zuo-Quan; Liao, Liang-Sheng","Thermally activated delayed fluorescence sensitizer for D–A–A type emitters with orange-red light emission","Journal of Materials Chemistry C","2018","6","37","10030","","10.1039/C8TC03287D","","","0.71073","MoKα","","0.1278","0.0615","","","0.1402","0.165","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237468","25.456","0.005","12.88","0.003","17.483","0.004","90","","111.56","0.03","90","","5331","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.64 H1.89 N0.38 O0.08 -","- C2.64151 H1.88679 N0.377358 O0.0754717 -","- C280 H200 N40 O8 -","106","13.25","","Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei","Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence","Journal of Materials Chemistry C","2018","6","38","10179","","10.1039/C8TC03297A","","","0.71073","MoKα","","0.0684","0.0502","","","0.1184","0.1265","","","","","","1.06","","","","has coordinates","237686","2020-10-21","18:00:00",""
"7237469","14.9615","0.0014","14.962","","21.315","0.0019","90","","90","","120","","4132.2","0.5","298","2","298.32","","","","","","","","","4","P 1","P 1","1","","","","- C35 H25 N5 O -","- C35 H25 N5 O -","- C210 H150 N30 O6 -","6","6","","Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei","Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence","Journal of Materials Chemistry C","2018","6","38","10179","","10.1039/C8TC03297A","","","0.71073","MoKα","","0.0881","0.0513","","","0.0985","0.1104","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237470","24.6316","0.0014","5.6515","0.0003","24.8995","0.0014","90","","114.469","0.001","90","","3154.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl2 N4 O3 Pt -","- C28 H40 Cl2 N4 O3 Pt -","- C112 H160 Cl8 N16 O12 Pt4 -","4","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer; Lodeiro, Carlos","Multifunctional Pt(ii) metallomesogens exhibiting luminescence and proton conductivity in the mesophase near room temperature","Journal of Materials Chemistry C","2018","6","36","9723","","10.1039/C8TC03308K","","","0.71073","MoKα","","0.0627","0.041","","","0.1072","0.1228","","","","","","0.994","","","","has coordinates","237688","2020-10-21","18:00:00",""
"7237474","11.2803","0.0001","14.5794","0.0002","22.9364","0.0002","90","","97.579","0.001","90","","3739.17","0.07","100","2","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 N4 O2 -","- C50 H40 N4 O2 -","- C200 H160 N16 O8 -","4","0.5","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","1.54184","CuKα","","0.0445","0.0441","","","0.1053","0.1056","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237475","25.514","0.002","9.0508","0.0003","19.0317","0.0016","90","","136.902","0.016","90","","3002.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 N4 O2 -","- C44 H26 N4 O2 -","- C176 H104 N16 O8 -","4","0.5","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","0.71075","MoKα","","0.0438","0.0384","","","0.0949","0.0978","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237476","14.2418","0.0002","14.2451","0.0002","22.5117","0.0002","88.052","0.001","92.004","0.001","101.825","0.001","4465.74","0.1","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H20 N2 O -","- C33 H20 N2 O -","- C264 H160 N16 O8 -","8","4","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","1.54184","CuKα","","0.0723","0.0714","","","0.1941","0.1956","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237477","10.767","0.002","27.035","0.005","12.935","0.003","90","","99.48","0.03","90","","3713.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Ir N3 O5 S2 -","- C44 H32 Ir N3 O5 S2 -","- C176 H128 Ir4 N12 O20 S8 -","4","1","","Fu, Guorui; Zheng, Hao; He, Yani; Li, Wentao; Lü, Xingqiang; He, Hongshan","Efficient near-infrared (NIR) polymer light-emitting diodes (PLEDs) based on heteroleptic iridium(iii) complexes with post-modification effects of intramolecular hydrogen bonding or BF2-chelation","Journal of Materials Chemistry C","2018","6","39","10589","","10.1039/C8TC03432J","","","0.71073","MoKα","","0.0553","0.0369","","","0.0774","0.0831","","","","","","1.099","","","","has coordinates","237692","2020-10-21","18:00:00",""
"7237478","3.8357","0.0009","21.751","0.005","18.396","0.005","90","","92.713","0.004","90","","1533.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4?-p-fluorophenyl-2,2?:6?,2??-terpyridine","","- C21 H14 F N3 -","- C21 H14 F N3 -","- C84 H56 F4 N12 -","4","1","","Singha Mahapatra, Tufan; Singh, Harwinder; Maity, Arunava; Dey, Ananta; Pramanik, Sumit Kumar; Suresh, Eringathodi; Das, Amitava","White-light-emitting lanthanide and lanthanide-iridium doped supramolecular gels: modular luminescence and stimuli-responsive behaviour","Journal of Materials Chemistry C","2018","6","36","9756","","10.1039/C8TC03487G","","","0.71073","MoKα","","0.0972","0.0775","","","0.147","0.1546","","","","","","1.2","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237479","11.9475","0.0007","7.2805","0.0004","7.6597","0.0005","90","","108.539","0.002","90","","631.7","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C12 H32 Cd2 Cl8 N4 -","2","0.5","","Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua","Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite","Journal of Materials Chemistry C","2018","6","38","10327","","10.1039/C8TC03517B","","","0.71073","MoKα","","0.0383","0.037","","","0.0971","0.1074","","","","","","1.197","","","","has coordinates","237695","2020-10-21","18:00:00",""
"7237480","7.5746","0.0007","22.852","0.002","7.5728","0.0006","90","","90","","90","","1310.8","0.2","280","2","280","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.25","","Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua","Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite","Journal of Materials Chemistry C","2018","6","38","10327","","10.1039/C8TC03517B","","","0.71073","MoKα","","0.079","0.0635","","","0.1791","0.1925","","","","","","1.099","","","","has coordinates","237695","2020-10-21","18:00:00",""
"7237481","9.524","0.0004","27.7354","0.001","8.2808","0.0003","90","","109.572","0.005","90","","2061","0.15","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 -","- C30 H18 N2 -","- C120 H72 N8 -","4","1","","Zhao, Chenyang; Schwartz, Thomas; Stöger, Berthold; White, Fraser J.; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Kautny, Paul","Controlling excimer formation in indolo[3,2,1-<i>jk</i>]carbazole/9<i>H</i>-carbazole based host materials for RGB PhOLEDs.","Journal of materials chemistry. C","2018","6","37","9914","9924","10.1039/c8tc03537g","","","1.54178","CuKα","","0.0763","0.0698","","","0.1523","0.1553","","","","","","1.158","","","","has coordinates","237696","2020-10-21","18:00:00",""
"7237482","10.1876","0.0008","26.5744","0.0019","20.1478","0.0016","90","","92.089","0.007","90","","5451","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N13 O24 P6 Zn6 -","- C33 H37 N13 O24 P6 Zn6 -","- C132 H148 N52 O96 P24 Zn24 -","4","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Inorganic‒organic hybrid zinc phosphites with fluorescence/phosphorescence dual emission performances","Journal of Materials Chemistry C","2018","6","39","10411","","10.1039/C8TC03583K","","","0.71073","MoKα","","0.0961","0.0546","","","0.1309","0.1557","","","","","","1.058","","","","has coordinates","237698","2020-10-21","18:00:00",""
"7237483","10.1955","0.0008","26.678","0.002","20.1328","0.0015","90","","92.01","0.007","90","","5472.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 N13 O24 P6 Zn6 -","- C34 H39 N13 O24 P6 Zn6 -","- C136 H156 N52 O96 P24 Zn24 -","4","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Inorganic‒organic hybrid zinc phosphites with fluorescence/phosphorescence dual emission performances","Journal of Materials Chemistry C","2018","6","39","10411","","10.1039/C8TC03583K","","","0.71073","MoKα","","0.0957","0.0538","","","0.1334","0.154","","","","","","1.046","","","","has coordinates","237698","2020-10-21","18:00:00",""
"7237484","15.6667","0.0018","15.8992","0.0018","20.918","0.002","67.163","0.002","82.301","0.002","79.745","0.002","4713.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 N4 O8 Zn2 -","- C66 H42 N4 O8 Zn2 -","- C132 H84 N8 O16 Zn4 -","2","1","","Tao, Chen-Lei; Ying, Yan-Mei; Wang, Hui; Chen, Bin; Zhu, Gen-Ping; Song, Yan-Jiang; Liu, Xun-Gao; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","Nonwoven fabric coated with a tetraphenylethene-based luminescent metal‒organic framework for selective and sensitive sensing of nitrobenzene and ammonia","Journal of Materials Chemistry C","2018","6","45","12371","","10.1039/C8TC03587C","","","0.71073","MoKα","","0.2502","0.1361","","","0.3968","0.423","","","","","","1.194","","","","has coordinates,has disorder","237700","2020-10-21","18:00:00",""
"7237485","14.0216","0.0006","16.0891","0.0007","20.4898","0.0009","90.103","0.002","99.673","0.002","90.989","0.002","4555.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N2 O8 Zn2 -","- C64 H40 N2 O8 Zn2 -","- C128 H80 N4 O16 Zn4 -","2","1","","Tao, Chen-Lei; Ying, Yan-Mei; Wang, Hui; Chen, Bin; Zhu, Gen-Ping; Song, Yan-Jiang; Liu, Xun-Gao; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","Nonwoven fabric coated with a tetraphenylethene-based luminescent metal‒organic framework for selective and sensitive sensing of nitrobenzene and ammonia","Journal of Materials Chemistry C","2018","6","45","12371","","10.1039/C8TC03587C","","","0.71073","MoKα","","0.1468","0.0929","","","0.2268","0.2528","","","","","","1.033","","","","has coordinates,has disorder","237700","2020-10-21","18:00:00",""
"7237486","17.2525","0.001","7.1877","0.0005","13.1444","0.0008","90","","111.126","0.002","90","","1520.43","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly-[(mu3-itaconate-kO:k2O',O'':kO')(mu3-itaconate-kO:kO':kO'')tetraaquadizinc(II)]","","- C10 H16 O12 Zn2 -","- C10 H16 O12 Zn2 -","- C40 H64 O48 Zn8 -","4","1","","Wibowo, Atmanto Heru; Suryandari, Yetti; Masykur, Abu; Pérez-Yáñez, Sonia; Rodríguez-Diéguez, Antonio; Cepeda, Javier","Zinc/itaconate coordination polymers as first examples with long-lasting phosphorescence based on acyclic ligands","Journal of Materials Chemistry C","2018","6","40","10870","","10.1039/C8TC03598A","","","0.71073","MoKα","","0.0796","0.045","","","0.0665","0.0731","","","","","","1.04","","","","has coordinates","237702","2020-10-21","18:00:00",""
"7237487","8.8354","0.0002","14.553","0.0004","16.2452","0.0004","79.4787","0.001","74.6313","0.0009","80.1507","0.001","1963.63","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H30.5 Cl4.5 N5 -","- C46.5 H30.5 Cl4.5 N5 -","- C93 H61 Cl9 N10 -","2","1","","Ganesan, Paramaguru; Chen, Deng-Gao; Liao, Jia-Ling; Li, Wei-Cheng; Lai, Yi-Ning; Luo, Dian; Chang, Chih-Hao; Ko, Chang-Lun; Hung, Wen-Yi; Liu, Shun-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Chi, Yun","Isomeric spiro-[acridine-9,9′-fluorene]-2,6-dipyridylpyrimidine based TADF emitters: insights into photophysical behaviors and OLED performances","Journal of Materials Chemistry C","2018","6","37","10088","","10.1039/C8TC03645D","","","1.54178","CuKα","","0.0832","0.0755","","","0.214","0.2256","","","","","","1.05","","","","has coordinates,has disorder","237703","2020-10-21","18:00:00",""
"7237488","7.74804","0.00007","30.9577","0.0002","9.60423","0.00007","90","","100.899","0.0008","90","","2262.13","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PXZ2PTO","","- C30 H20 N2 O3 S -","- C30 H20 N2 O3 S -","- C120 H80 N8 O12 S4 -","4","1","","Xiang, Songpo; Huang, Zhi; Sun, Shuaiqiang; Lv, Xialei; Fan, Lianwei; Ye, Shaofeng; Chen, Hongting; Guo, Runda; Wang, Lei","Highly efficient non-doped OLEDs using aggregation-induced delayed fluorescence materials based on 10-phenyl-10H-phenothiazine 5,5-dioxide derivatives","Journal of Materials Chemistry C","2018","6","42","11436","","10.1039/C8TC03648A","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1339","0.1346","","","","","","1.275","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237489","9.8516","0.0004","13.4117","0.0005","21.701","0.0009","79.448","0.003","89.517","0.003","81.176","0.003","2784.9","0.2","107","2","107","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 N8 O10 -","- C64 H68 N8 O10 -","- C128 H136 N16 O20 -","2","1","","Tan, Lina; Mo, Shenzhong; Fang, Bing; Cheng, Wenyu; Yin, Meizhen","Dual fluorescence switching of a Rhodamine 6G-naphthalimide conjugate with high contrast in the solid state","Journal of Materials Chemistry C","2018","6","38","10270","","10.1039/C8TC03654C","","","0.71073","MoKα","","0.0714","0.0556","","","0.121","0.131","","","","","","1.02","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237490","14.9081","0.0004","18.3536","0.0006","10.6137","0.0004","90","","100.673","0.003","90","","2853.85","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B10 -","- C32 H32 B10 -","- C128 H128 B40 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","1.54178","CuKα","","0.0705","0.0542","","","0.1582","0.1702","","","","","","1.055","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237491","18.808","0.003","9.1786","0.0013","18.193","0.003","90","","90","","90","","3140.7","0.8","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C32 H31 B10 I -","- C32 H31 B10 I -","- C128 H124 B40 I4 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","0.71073","MoKα","","0.0417","0.0291","","","0.069","0.0724","","","","","","1.044","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237492","13.111","0.004","12.617","0.003","19.401","0.005","90","","92.596","0.009","90","","3206","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B10 I2 -","- C32 H30 B10 I2 -","- C128 H120 B40 I8 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","0.71073","MoKα","","0.0758","0.0628","","","0.1562","0.1655","","","","","","1.04","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237493","10.9998","0.0004","32.4732","0.0013","20.5832","0.0008","90","","104.469","0.004","90","","7119.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H83 B4 N O10 -","- C78 H83 B4 N O10 -","- C312 H332 B16 N4 O40 -","4","1","","Hoshi, Mitsuki; Kaneko, Naoyoshi; Nishiyabu, Ryuhei; Kubo, Yuji","Formation of emissive nanoparticles from tetraphenylethylene-containing boronate macrocycles: preparation, characterization and functionalization","Journal of Materials Chemistry C","2018","6","41","11052","","10.1039/C8TC03748E","","","0.71075","MoKα","","0.1215","0.0926","","","0.2758","0.2911","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237494","9.632","0.007","16.037","0.012","19.704","0.015","96.198","0.013","96.827","0.014","107.054","0.013","2856","4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H28 N4 -","- C38 H28 N4 -","- C152 H112 N16 -","4","2","","Shi, Jinjin; Ding, Qi; Xu, Lei; Lv, Xianhao; Liu, Zhongwei; Sun, Qikun; Pan, Yuyu; Xue, Shanfeng; Yang, Wenjun","A simple D–π–A hybrid mode for highly efficient non-doped true blue OLEDs with CIEy < 0.05 and EQE up to 6%","Journal of Materials Chemistry C","2018","6","41","11063","","10.1039/C8TC03777A","","","0.71073","MoKα","","0.1","0.0559","","","0.1228","0.1363","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237495","16.5689","0.0005","35.4714","0.0009","16.5839","0.0005","90","","107.626","0.003","90","","9289.1","0.5","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C111 H70 Cl2 N12 -","- C111 H70 Cl2 N12 -","- C444 H280 Cl8 N48 -","4","1","","Bian, Mengying; Wang, Yuanxun; Guo, Xuan; Lv, Fang; Chen, Zhijian; Duan, Lian; Bian, Zuqiang; Liu, Zhiwei; Geng, Hua; Xiao, Lixin","Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n–D–(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs","Journal of Materials Chemistry C","2018","6","38","10276","","10.1039/C8TC03796E","","","0.71073","MoKα","","0.1088","0.0965","","","0.2167","0.2225","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237496","19.5621","0.001","24.2721","0.0018","12.7702","0.0007","90","","129.729","0.005","90","","4663.3","0.6","179.99","0.1","179.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H38 Cl4 N6 -","- C57 H38 Cl4 N6 -","- C228 H152 Cl16 N24 -","4","0.5","","Bian, Mengying; Wang, Yuanxun; Guo, Xuan; Lv, Fang; Chen, Zhijian; Duan, Lian; Bian, Zuqiang; Liu, Zhiwei; Geng, Hua; Xiao, Lixin","Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n–D–(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs","Journal of Materials Chemistry C","2018","6","38","10276","","10.1039/C8TC03796E","","","0.71073","MoKα","","0.1371","0.1018","","","0.2208","0.2426","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237497","9.9509","0.0009","12.5238","0.0011","13.0711","0.0012","83.788","0.004","81.296","0.003","68.485","0.003","1495.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H72 N2 O2 -","- C80 H72 N2 O2 -","- C80 H72 N2 O2 -","1","0.5","","Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.","The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones","Journal of Materials Chemistry C","2018","6","45","12306","","10.1039/C8TC03880E","","","0.7288","synchrotron","","0.102","0.0689","","","0.1897","0.2171","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237498","5.6216","0.0002","10.3184","0.0004","27.8242","0.0011","88.5483","0.001","87.7039","0.0011","81.9237","0.001","1596.36","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C80 H88 N4 O4 -","2","1","","Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.","The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones","Journal of Materials Chemistry C","2018","6","45","12306","","10.1039/C8TC03880E","","","1.54178","CuKα","","0.1214","0.106","","","0.3253","0.3327","","","","","","1.122","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237499","4.0465","0.0002","12.2676","0.0007","14.3472","0.0008","82.585","0.002","82.769","0.002","83.758","0.002","697.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F4 I2 N2 O2 -","- C28 H20 F4 I2 N2 O2 -","- C28 H20 F4 I2 N2 O2 -","1","0.5","","Zhuo, Ming-Peng; Tao, Yi-Chen; Wang, Xue-Dong; Chen, Shuo; Liao, Liang-Sheng","Rational synthesis of organic single-crystalline microrods and microtubes for efficient optical waveguides","Journal of Materials Chemistry C","2018","6","36","9594","","10.1039/C8TC03886D","","","0.71073","MoKα","","0.0165","0.0162","","","0.0458","0.046","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237500","7.2783","0.0007","9.6835","0.0008","12.2806","0.0011","85.371","0.007","83.085","0.007","87.911","0.007","856.12","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 B2 Br2 F2 -","- C20 H10 B2 Br2 F2 -","- C40 H20 B4 Br4 F4 -","2","1","","John, Alexandra; Bolte, Michael; Lerner, Hans-Wolfram; Meng, Guoyun; Wang, Suning; Peng, Tai; Wagner, Matthias","Doubly boron-doped pentacenes as emitters for OLEDs","Journal of Materials Chemistry C","2018","6","40","10881","","10.1039/C8TC03954B","","","0.71073","MoKα","","0.052","0.0372","","","0.09","0.0961","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237501","20.3634","0.0014","7.6539","0.0004","24.5216","0.0016","90","","108.846","0.005","90","","3617","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 B2 F2 -","- C45 H40 B2 F2 -","- C180 H160 B8 F8 -","4","1","","John, Alexandra; Bolte, Michael; Lerner, Hans-Wolfram; Meng, Guoyun; Wang, Suning; Peng, Tai; Wagner, Matthias","Doubly boron-doped pentacenes as emitters for OLEDs","Journal of Materials Chemistry C","2018","6","40","10881","","10.1039/C8TC03954B","","","0.71073","MoKα","","0.0997","0.0505","","","0.1032","0.1184","","","","","","0.92","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237502","16.3865","0.0013","20.1765","0.0016","12.7148","0.0011","90","","98.129","0.002","90","","4161.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H36 Cl2 N4 O0 -","- C55 H36 Cl2 N4 -","- C220 H144 Cl8 N16 -","4","1","","Li, Chenglong; Li, Zhiqiang; Liang, Jixiong; Luo, Hao; Liu, Yu; Wei, Jinbei; Wang, Yue","A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs","Journal of Materials Chemistry C","2018","6","47","12888","","10.1039/C8TC04218G","","","0.71073","MoKα","","0.1315","0.0783","","","0.21","0.2477","","","","","","1.054","","","","has coordinates","237725","2020-10-21","18:00:00",""
"7237503","13.224","0.003","16.378","0.003","20.907","0.004","106.65","0.03","96.56","0.03","106.17","0.03","4072.9","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H38 N4 -","- C54 H38 N4 -","- C216 H152 N16 -","4","2","","Li, Chenglong; Li, Zhiqiang; Liang, Jixiong; Luo, Hao; Liu, Yu; Wei, Jinbei; Wang, Yue","A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs","Journal of Materials Chemistry C","2018","6","47","12888","","10.1039/C8TC04218G","","","0.71073","MoKα","","0.0854","0.0523","","","0.1311","0.1465","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237504","16.6879","0.0005","8.2499","0.0002","17.2222","0.0005","90","","107.757","0.001","90","","2258.08","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 Cl6 N2 -","- C24 H11 Cl6 N2 -","- C96 H44 Cl24 N8 -","4","1","","Abdurahman, Alim; Chen, Yingxin; Ai, Xin; Ablikim, Obolda; Gao, Yu; Dong, Shengzhi; Li, Bao; Yang, Bing; Zhang, Ming; Li, Feng","A pure red luminescent β-carboline-substituted biphenylmethyl radical: photophysics, stability and OLEDs","Journal of Materials Chemistry C","2018","6","42","11248","","10.1039/C8TC04298E","","","0.71073","MoKα","","0.1048","0.0516","","","0.1296","0.1669","","","","","","1.043","","","","has coordinates","237727","2020-10-21","18:00:00",""
"7237505","7.6932","0.0003","9.907","0.0002","22.3507","0.0006","88.016","0.002","83.522","0.003","83.631","0.002","1681.75","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C90 H58 N6 S4 -","2","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure–property relationship in multi-stimuli responsive D–A–A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","1.54184","CuKα","","0.0483","0.0467","","","0.1336","0.1378","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237506","11.0588","0.001","8.5477","0.0007","36.929","0.003","90","","98.26","0.007","90","","3454.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C180 H116 N12 S8 -","4","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure–property relationship in multi-stimuli responsive D–A–A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","0.71073","MoKα","","0.147","0.0897","","","0.2097","0.2435","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237507","7.644","0.0008","9.8294","0.0008","22.3403","0.0019","87.824","0.007","83.835","0.008","83.258","0.007","1656.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C90 H58 N6 S4 -","2","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure–property relationship in multi-stimuli responsive D–A–A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","0.71073","MoKα","","0.2544","0.0985","","","0.2156","0.3545","","","","","","0.945","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237508","4.8961","0.0004","8.3384","0.0007","16.1441","0.0014","91.827","0.003","90.314","0.003","99.32","0.003","650.02","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","1","0.5","","Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril","N-Cyanoimine as an electron-withdrawing functional group for organic semiconductors: example of dihydroindacenodithiophene positional isomers","Journal of Materials Chemistry C","2018","6","48","13197","","10.1039/C8TC04313B","","x-ray","0.71073","MoKα","","0.0717","0.0444","","","0.0858","0.0965","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237509","7.0293","0.0011","10.0818","0.0013","18.972","0.003","81.078","0.005","85.447","0.006","80.052","0.005","1306.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","- C60 H60 N8 S4 -","2","1","","Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril","N-Cyanoimine as an electron-withdrawing functional group for organic semiconductors: example of dihydroindacenodithiophene positional isomers","Journal of Materials Chemistry C","2018","6","48","13197","","10.1039/C8TC04313B","","x-ray","0.71073","MoKα","","0.1015","0.0601","","","0.1424","0.1698","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237510","13.243","0.003","16.245","0.003","20.886","0.004","90","","108.37","0.03","90","","4264.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.12 H29 Cl2.3 F3 Ir N2 O2 S3 -","- C45.124 H30.248 Cl2.248 F3 Ir N2 O2 S3 -","- C180.496 H120.992 Cl8.992 F12 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.9","synchrotron","","0.0921","0.0863","","","0.2519","0.2617","","","","","","1.079","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237511","11.387","0.002","17.324","0.003","18.358","0.004","90","","92.59","0.03","90","","3617.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","C16_DMC","","","- C42 H24 F3 Ir N2 O2 S3 -","- C42 H24 F3 Ir N2 O2 S3 -","- C168 H96 F12 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.62","synchrotron","","0.1379","0.0935","","","0.257","0.2834","","","","","","1.078","","","","has coordinates","237734","2020-10-21","18:00:00",""
"7237512","11.613","0.004","18.187","0.007","20.859","0.007","90","","103.326","0.009","90","","4287","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","C18","","","- C45 H24 Cl2 F9 Ir N2 O2 S3 -","- C44.974 H23.948 Cl1.948 F9 Ir N2 O2 S3 -","- C179.896 H95.792 Cl7.792 F36 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.71073","MoKα","","0.0475","0.0331","","","0.073","0.0798","","","","","","1.031","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237513","13.947","0.006","16.406","0.007","20.411","0.008","86.55","0.015","82.304","0.014","75.731","0.015","4484","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","C17","","","- C49 H34 Cl2 F3 Ir N2 O6 S3 -","- C49.019 H34.038 Cl2.038 F3 Ir N2 O6 S3 -","- C196.076 H136.152 Cl8.152 F12 Ir4 N8 O24 S12 -","4","2","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.71073","MoKα","","0.1256","0.0656","","","0.1239","0.1505","","","","","","1.053","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237514","12.5733","0.0004","12.1377","0.0003","11.9395","0.0003","90","","102.72","0.003","90","","1777.38","0.09","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Bi0.5 I4.5 N2 -","- C6 H20 Bi0.5 I4.5 N2 -","- C24 H80 Bi2 I18 N8 -","4","1","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","x-ray","0.71073","MoKα","","0.0365","0.0236","","","0.0397","0.0443","","","","","","1.046","","","","has coordinates","237736","2020-10-21","18:00:00",""
"7237515","12.0482","0.0007","12.4277","0.0008","12.7161","0.0009","90","","101.681","0.002","90","","1864.6","0.2","300","2","299.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","","0.71073","MoKα","","0.0445","0.0331","","","0.0938","0.1141","","","","","","1.151","","","","has coordinates,has disorder","237736","2020-10-21","18:00:00",""
"7237516","12.024","0.0007","12.3072","0.0008","12.6205","0.0008","90","","102.258","0.002","90","","1825","0.2","210","2","210.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","","0.71073","MoKα","","0.0436","0.0406","","","0.1098","0.1207","","","","","","1.276","","","","has coordinates,has disorder","237736","2020-10-21","18:00:00",""
"7237517","20.354","0.004","11.829","0.002","13.889","0.003","90","","103.45","0.03","90","","3252.3","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B F4 N3 -","- C37 H32 B F4 N3 -","- C148 H128 B4 F16 N12 -","4","1","","Kang, Qing; Xiao, Yin; Hu, Wenping; Wang, Yong","Smartly designed AIE triazoliums as unique targeting fluorescence tags for sulfonic biomacromolecule recognition via ‘electrostatic locking’","Journal of Materials Chemistry C","2018","6","46","12529","","10.1039/C8TC04425B","","","0.71073","MoKα","","0.0895","0.069","","","0.1805","0.1962","","","","","","1.088","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237518","7.1223","0.0005","7.6686","0.0005","14.1045","0.0009","83.324","0.005","75.939","0.006","76.993","0.005","726.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cd N2 O8 S2 -","- C32 H28 Cd N2 O8 S2 -","- C32 H28 Cd N2 O8 S2 -","1","0.5","","Cheng, Feng; Fu, Ruibiao; Wen, Yuehong; Yang, Yu-Ying; Zeng, Chen; Zhang, Yuxiao; Hu, Shengmin; Wu, Xintao","A new Cd based metal‒organic framework for quick and convenient detection of trace water in isopropanol and 1,4-dioxane","Journal of Materials Chemistry C","2018","6","45","12341","","10.1039/C8TC04483J","","x-ray","0.71073","MoKα","","0.0535","0.052","","","0.1583","0.161","","","","","","1.083","","","","has coordinates","237740","2020-10-21","18:00:00",""
"7237519","15.094","0.0006","15.633","0.0006","33.864","0.0015","90","","90","","90","","7990.7","0.6","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H24 F10 Ir N8 P -","- C38 H24 F10 Ir N8 P -","- C304 H192 F80 Ir8 N64 P8 -","8","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.0384","0.0265","","","0.0652","0.0698","","","","","","1.05","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237520","14.458","0.004","15.043","0.004","16.466","0.005","90","","90","","90","","3581.2","1.8","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 F6 Ir N8 P -","- C38 H28 F6 Ir N8 P -","- C152 H112 F24 Ir4 N32 P4 -","4","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.063","0.053","","","0.1393","0.1493","","","","","","1.059","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237522","6.9794","0.0003","6.9794","0.0003","16.9761","0.0012","90","","90","","120","","716.15","0.07","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Mg N6 O6 -","- C6 Ba2 Mg1.00002 N6 O6 -","- C18 Ba6 Mg3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0196","0.0173","","","0.0439","0.0474","","","","","","1.2629","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237523","7.061","0.0006","7.061","0.0006","17.976","0.002","90","","90","","120","","776.17","0.13","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Ca N6 O6 -","- C6 Ba2 Ca1.00002 N6 O6 -","- C18 Ba6 Ca3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0157","0.0149","","","0.0365","0.0367","","","","","","1.036","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237524","9.101","0.0004","9.2238","0.0004","14.9779","0.0007","80.357","0.002","89.219","0.002","82.426","0.002","1228.71","0.1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","Diazo compound","","- C24 H26 N6 O3 S -","- C24 H26 N6 O3 S -","- C48 H52 N12 O6 S2 -","2","1","","Singh, Gagandeep; Raj, Pushap; Singh, Harupjit; Singh, Narinder","Colorimetric detection and ratiometric quantification of mercury(ii) using azophenol dye: ‘dip & read’ based handheld prototype device development","Journal of Materials Chemistry C","2018","6","46","12728","","10.1039/C8TC04720K","","","0.71073","MoKα","","0.1251","0.0887","","","0.1992","0.2139","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237525","10.185","0.0006","13.7241","0.0006","24.2742","0.0011","104.2","0.004","90.154","0.004","111.727","0.005","3039.2","0.3","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 F12 O2 P2 S20 -","- C48 H48 F12 O2 P2 S20 -","- C96 H96 F24 O4 P4 S40 -","2","1","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","1.54184","CuKα","","0.0802","0.0554","","","0.1207","0.1383","","","","","","1.006","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237526","15.782","0.001","7.658","0.0005","23.794","0.002","90","","103.09","0.007","90","","2801","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83 H70 Cl6 S40 -","- C80 H64 S40 -","- C80 H64 S40 -","1","0.25","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","0.71073","MoKα","","0.1137","0.0783","","","0.2317","0.2483","","","","","","1.081","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237527","7.596","0.002","17.727","0.002","24.21","0.003","90","","90","","90","","3260","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O S6 -","- C15 H10 O S6 -","- C120 H80 O8 S48 -","8","1","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","0.71073","MoKα","","0.1761","0.0745","","","0.1269","0.1576","","","","","","1.075","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237528","7.0611","0.0009","9.8351","0.0013","11.0237","0.0013","98.033","0.011","106.241","0.011","100.184","0.011","708.78","0.17","106.4","","106.4","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O3 -","- C16 H12 F3 N O3 -","- C32 H24 F6 N2 O6 -","2","1","","Zhong, Jinpan; Cui, Xingyu; Guan, Weijiang; Lu, Chao","Direct observation of adsorption kinetics on clays by cation–π interaction-triggered aggregation luminescence","Journal of Materials Chemistry C","2018","6","48","13218","","10.1039/C8TC04837A","","","1.5418","CuKα","","0.0424","0.039","","","0.1079","0.1117","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237530","8.834","0.003","23.095","0.006","11.074","0.004","90","","109.65","0.03","90","","2127.8","1.3","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H14 F9 N -","- C27 H14 F9 N -","- C108 H56 F36 N4 -","4","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.0527","0.0368","","","0.0848","0.0927","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237531","10.512","0.004","11.169","0.004","14.712","0.004","97.8","0.03","108.96","0.03","106.05","0.03","1520.8","1","99.96","0.16","99.96","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 F9 N -","- C35 H30 F9 N -","- C70 H60 F18 N2 -","2","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.0717","0.0432","","","0.0981","0.1124","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237532","10.87","0.004","24.126","0.006","12.55","0.004","90","","105.57","0.03","90","","3170.5","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F9 N -","- C35 H30 F9 N -","- C140 H120 F36 N4 -","4","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.2018","0.0961","","","0.2399","0.3362","","","","","","0.907","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237533","8.791","0.003","50.622","0.009","15.001","0.004","90","","96.16","0.03","90","","6637","3","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H28 F8 N2 -","- C42 H28 F8 N2 -","- C336 H224 F64 N16 -","8","4","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.089","0.0634","","","0.1354","0.1495","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237537","22.965","0.004","26.334","0.005","19.819","0.004","90","","110.524","0.004","90","","11225","4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C96 H30 -","- C96 H30 -","- C768 H240 -","8","2","","Xue, Lan; Tian, Chengbo; Liang, Hua; Deng, Linlong; Tan, Yuanzhi; Wei, Zhanhua; Xie, Suyuan","From C60Ph5Cl to C60Ph6: complete phenylation of C60 derivative renders superior organic photovoltaic performance","Journal of Materials Chemistry C","2018","6","46","12721","","10.1039/C8TC05027A","","","0.71073","MoKα","","0.1839","0.103","","","0.2533","0.2954","","","","","","1.014","","","","has coordinates","237756","2020-10-21","18:00:00",""
"8000214","14.1274","0.0003","7.4879","0.0001","24.8944","0.0018","90","","97.826","0.007","90","","2608.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 S6 -","- C68 H46 S6 -","- C136 H92 S12 -","2","0.5","","Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio","Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes.","The journal of physical chemistry letters","2015","6","18","3754","3759","10.1021/acs.jpclett.5b01662","","","1.54187","CuKα","","0.0848","0.0714","","","0.208","0.2204","","","","","","1.044","","","","has coordinates,has disorder","301880","2025-08-22","23:45:41",""
"8000348","18.8585","0.0007","22.2711","0.0008","29.2473","0.0012","96.472","0.002","106.952","0.003","111.124","0.003","10629","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H216 Ag3.96 Au34.04 S24 -","- C192 H216 Ag3.96 Au34.04 S24 -","- C384 H432 Ag7.92 Au68.08 S48 -","2","1","","Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala","X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules.","The journal of physical chemistry letters","2015","6","7","1223","1228","10.1021/acs.jpclett.5b00270","","","0.7749","synchrotron","","0.0979","0.0492","","","0.0968","0.1125","","","","","","1.014","","","","has coordinates,has disorder","236640","2020-10-21","18:00:00",""
"9004056","5.61","","14.03","","5.4","","90","","98.38","","90","","420.487","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Lindgrenite","- Cu3 H2 Mo2 O10 -","- Cu3 H2 Mo2 O10 -","- Cu6 H4 Mo4 O20 -","2","0.5","","Calvert, L. D.; Barnes, W. H.","The structure of lindgrenite","The Canadian Mineralogist","1957","6","","31","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004057","10.331","","10.331","","7.343","","90","","90","","120","","678.717","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Vanadinite","- Cl O12 Pb5 V3 -","- Cl O12 Pb5 V3 -","- Cl2 O24 Pb10 V6 -","2","0.166667","","Trotter, J.; Barnes, W. H.","The structure of vanadinite","The Canadian Mineralogist","1958","6","","161","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004058","6.21","","7.06","","7.76","","92.97","","96.65","","105.78","","323.957","","","","","","","","","","","","Thompson's, Utah, USA","3","P -1","-P 1","2","","","Metarossite","- Ca O8 V2 -","- Ca O8 V2 -","- Ca2 O16 V4 -","2","1","","Kelsey, C. H.; Barnes, W. H.","The crystal structure of metarossite","The Canadian Mineralogist","1960","6","","448","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005163","8.1517","","8.1517","","8.1517","","90","","90","","90","","541.682","","","","973.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 700 C, Sample HCl/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005164","8.1516","","8.1516","","8.1516","","90","","90","","90","","541.662","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 900 C, Sample HCl/2","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005165","8.1514","","8.1514","","8.1514","","90","","90","","90","","541.622","","","","1223.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 950 C, Sample HCl/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005166","8.1511","","8.1511","","8.1511","","90","","90","","90","","541.563","","","","1273.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 1000 C, Sample HCl/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005167","8.1501","","8.1501","","8.1501","","90","","90","","90","","541.363","","","","1373.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 1100 C, Sample HCl/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005168","8.1513","","8.1513","","8.1513","","90","","90","","90","","541.602","","","","773.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 500 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005169","8.1518","","8.1518","","8.1518","","90","","90","","90","","541.702","","","","773.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 500 C, Sample BG2/2","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005170","8.1522","","8.1522","","8.1522","","90","","90","","90","","541.782","","","","823.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 550 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005171","8.1521","","8.1521","","8.1521","","90","","90","","90","","541.762","","","","873.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 600 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005172","8.1522","","8.1522","","8.1522","","90","","90","","90","","541.782","","","","923.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 650 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005173","8.1525","","8.1525","","8.1525","","90","","90","","90","","541.842","","","","974.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 701 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005174","8.1523","","8.1523","","8.1523","","90","","90","","90","","541.802","","","","1023.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 750 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005175","8.1526","","8.1526","","8.1526","","90","","90","","90","","541.862","","","","1073.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 800 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005176","8.1522","","8.1522","","8.1522","","90","","90","","90","","541.782","","","","1123.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 850 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005177","8.1522","","8.1522","","8.1522","","90","","90","","90","","541.782","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 900 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005178","8.1523","","8.1523","","8.1523","","90","","90","","90","","541.802","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 900 C, Sample BG2/2","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005179","8.152","","8.152","","8.152","","90","","90","","90","","541.742","","","","1223.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 950 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005180","8.1507","","8.1507","","8.1507","","90","","90","","90","","541.483","","","","1373.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 1100 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005181","8.1507","","8.1507","","8.1507","","90","","90","","90","","541.483","","","","1473.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Hercynite","- Al2 Fe O4 -","- Al2 Fe O4 -","- Al16 Fe8 O32 -","8","0.0416667","","Larsson, L.; O'Neill H St C; Annersten, H.","Crystal chemistry of synthetic hercynite (FeAl2O4) from XRD structural refinements and Mossbauer spectroscopy Sample: T = 1200 C, Sample BG2/1","European Journal of Mineralogy","1994","6","","39","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005182","9.707","","8.863","","5.267","","90","","106.27","","90","","434.989","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.29 Ca0.45 Mg0.91 O6 Si1.85 -","- Al0.29 Ca0.45 Mg0.91 O6 Si1.85 -","- Al1.16 Ca1.8 Mg3.64 O24 Si7.4 -","4","0.5","","Tribaudino, M.; Molin, G. M.; Bruno, E.","Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di75En10CaTs15","European Journal of Mineralogy","1994","6","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005183","9.707","","8.863","","5.267","","90","","106.27","","90","","434.989","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.29 Ca0.9 Mg0.96 O6 Si1.85 -","- Al0.29 Ca0.9 Mg0.96 O6 Si1.85 -","- Al1.16 Ca3.6 Mg3.84 O24 Si7.4 -","4","0.5","","Tribaudino, M.; Molin, G. M.; Bruno, E.","Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di75En10CaTs15, split M2 atom model","European Journal of Mineralogy","1994","6","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005184","9.7","","8.861","","5.258","","90","","106.47","","90","","433.39","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.32 Ca0.8 Mg1.03 O6 Si1.85 -","- Al0.32 Ca0.8 Mg1.03 O6 Si1.85 -","- Al1.28 Ca3.2 Mg4.12 O24 Si7.4 -","4","0.5","","Tribaudino, M.; Molin, G. M.; Bruno, E.","Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di65En20CaTs15","European Journal of Mineralogy","1994","6","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005185","9.7","","8.861","","5.258","","90","","106.47","","90","","433.39","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.32 Ca0.8 Mg1.03 O6 Si1.85 -","- Al0.32 Ca0.8 Mg1.03 O6 Si1.85 -","- Al1.28 Ca3.2 Mg4.12 O24 Si7.4 -","4","0.5","","Tribaudino, M.; Molin, G. M.; Bruno, E.","Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di65En20CaTs15, split M2 model","European Journal of Mineralogy","1994","6","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005186","9.687","","8.832","","5.268","","90","","106.18","","90","","432.855","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.; Molin, G. M.; Bruno, E.","Effect of Al on enstatite solubility in CMAS clinopyroxenes: 2 - Crystal chemical considerations Sample: Di70CaTs30","European Journal of Mineralogy","1994","6","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005187","5.2108","","9.0399","","20.021","","90","","95.76","","90","","938.33","","","","","","","","100","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.4 Fe0.22 H2 K0.9 Mg0.16 Na0.07 O12 Si3.2 Ti0.02 -","- Al2.4 Fe0.22 H2 K0.9 Mg0.16 Na0.07 O12 Si3.2 Ti0.02 -","- Al9.6 Fe0.88 H8 K3.6 Mg0.64 Na0.28 O48 Si12.8 Ti0.08 -","4","0.5","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Powder neutron diffraction study of 2M_1 muscovite at room pressure and at 2 GPa Sample: P = 1 bar","European Journal of Mineralogy","1994","6","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005188","5.187","","8.995","","19.502","","90","","95.78","","90","","905.28","","","","","","","","2000000","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.4 Fe0.22 H2 K0.9 Mg0.16 Na0.07 O12 Si3.2 Ti0.02 -","- Al2.4 Fe0.22 H2 K0.9 Mg0.16 Na0.07 O12 Si3.2 Ti0.02 -","- Al9.6 Fe0.88 H8 K3.6 Mg0.64 Na0.28 O48 Si12.8 Ti0.08 -","4","0.5","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Powder neutron diffraction study of 2M_1 muscovite at room pressure and at 2 GPa Sample: P = 2 GPa","European Journal of Mineralogy","1994","6","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005189","7.3301","","7.3301","","17.6631","","90","","90","","120","","821.897","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","Dorallcharite","- Fe3 H6 K0.2 O14 S2 Tl0.8 -","- Fe3 H6 K0.2 O14 S2 Tl0.8 -","- Fe9 H18 K0.6 O42 S6 Tl2.4 -","3","0.0833333","","Balic-Zunic T; Moelo, Y.; Loncar, Z.; Micheelsen, H.","Dorallcharite, Tl0.8K0.2Fe3(SO4)2(OH)6, a new member of the jarosite-alunite family","European Journal of Mineralogy","1994","6","","255","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005190","4.332","","9.8819","","5.6813","","90","","90","","90","","243.207","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Sinhalite","- Al1.05 B Fe0.015 Mg0.92 O4 -","- Al1.05 B Fe0.015 Mg0.92 O4 -","- Al4.2 B4 Fe0.06 Mg3.68 O16 -","4","0.5","","Hayward, C. L.; Angel, R. J.; Ross, N. L.","The structural redetermination and crystal chemistry of sinhalite, MgAlBO4","European Journal of Mineralogy","1994","6","","313","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005191","13.006","","8.808","","5.858","","90","","90.31","","90","","671.064","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.36 Ca4 Fe11.16 H4 Mg0.08 Mn0.4 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-2","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005192","13.014","","8.811","","5.852","","90","","90.07","","90","","671.027","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 -","- Al0.36 Ca4 Fe11.12 H4 Mg0.08 Mn0.4 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005193","13.013","","8.802","","5.857","","90","","90.28","","90","","670.855","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.05 Ca Fe2.91 H Mg0.02 Mn0.02 O9 Si2 -","- Al0.05 Ca Fe2.91 H Mg0.02 Mn0.02 O9 Si2 -","- Al0.2 Ca4 Fe11.64 H4 Mg0.08 Mn0.08 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.1","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005194","13.008","","8.802","","5.855","","90","","90.27","","90","","670.369","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.05 Ca1.03 Fe2.86 H Mg0.02 Mn0.01 O9 Si2 -","- Al0.05 Ca1.03 Fe2.86 H Mg0.02 Mn0.01 O9 Si2 -","- Al0.2 Ca4.12 Fe11.44 H4 Mg0.08 Mn0.04 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.2","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005195","12.993","","8.825","","5.846","","90","","90.03","","90","","670.321","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.9 Fe2.48 H Mg0.02 Mn0.58 O9 Si2 -","- Al0.01 Ca0.9 Fe2.48 H Mg0.02 Mn0.58 O9 Si2 -","- Al0.04 Ca3.6 Fe9.92 H4 Mg0.08 Mn2.32 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-2.3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005196","13.006","","8.842","","5.844","","90","","90.19","","90","","672.051","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.04 Ca3.84 Fe9.8 H4 Mg0.04 Mn2.24 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.3","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005197","13.009","","8.838","","5.843","","90","","90.16","","90","","671.788","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 -","- Al0.04 Ca3.84 Fe9.8 H4 Mg0.04 Mn2.24 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.4 Note: O(2,1) y-coordinate changed in order to match reported bond lengths","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005198","13.012","","8.809","","5.849","","90","","90.02","","90","","670.428","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Al0.04 Ca Fe2.85 H Mg0.03 Mn0.08 O9 Si2 -","- Al0.04 Ca Fe2.85 H Mg0.03 Mn0.08 O9 Si2 -","- Al0.16 Ca4 Fe11.4 H4 Mg0.12 Mn0.32 O36 Si8 -","4","1","","Carrozzini, B.","Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Rio Marina X","European Journal of Mineralogy","1994","6","","465","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005199","25.771","","25.771","","5.371","","90","","90","","120","","3089.22","","","","","","","","","","","","Vesuvius, Italy","7","P 63/m","-P 6c","176","","","Quadridavyne","- Al12 Ca4 Cl8 K3.84 Na8.16 O48 Si12 -","- Al12 Ca4 Cl8.00002 K3.84 Na8.16 O48 Si12 -","- Al24 Ca8 Cl16 K7.68 Na16.32 O96 Si24 -","2","0.166667","","Bonaccorsi, E.; Merlino, S.; Orlandi, P.; Pasero, M.; Vezzalini, G.","Quadridavyne, [(Na,K)6Cl2][Ca2Cl2][Si6Al6O24], a new feldspathoid mineral from Vesuvius area Note: Cl1 y-coordinate altered","European Journal of Mineralogy","1994","6","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005200","5.212","","5.212","","29.804","","90","","90","","120","","701.155","","","","","","","","","","","","Kazakhstan","9","P 31 1 2","P 31 2 (0 0 4)","151","","","Muscovite-3T","- Al2.2 Fe0.25 H2 K0.93 Mg0.21 Na0.03 O12 Si3.3 Ti0.04 -","- Al2.2 Fe0.25 H2 K0.93 Mg0.21 Na0.03 O12 Si3.3 Ti0.04 -","- Al6.6 Fe0.75 H6 K2.79 Mg0.63 Na0.09 O36 Si9.9 Ti0.12 -","3","0.5","","Amisano-Canesi A; Chiari, G.; Ferraris, G.; Ivaldi, G.; Soboleva, S. V.","Muscovite- and phengite-3T: crystal structure and conditions of formation","European Journal of Mineralogy","1994","6","","489","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005201","5.212","","5.212","","29.804","","90","","90","","120","","701.155","","","","","","","","","","","","Dora-Maira","8","P 31 1 2","P 31 2 (0 0 4)","151","","","Muscovite-3T","- Al1.87 H2 K0.92 Mg0.6 Na0.01 O12 Si3.54 Ti0.02 -","- Al1.87 H2 K0.92 Mg0.6 Na0.01 O12 Si3.54 Ti0.02 -","- Al5.61 H6 K2.76 Mg1.8 Na0.03 O36 Si10.62 Ti0.06 -","3","0.5","","Amisano-Canesi A; Chiari, G.; Ferraris, G.; Ivaldi, G.; Soboleva, S. V.","Muscovite- and phengite-3T: crystal structure and conditions of formation","European Journal of Mineralogy","1994","6","","489","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005202","14.692","","14.164","","7.859","","90","","117.87","","90","","1445.74","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","","Nenadkevichite","- H13.2 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H6.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H12.6 K5.96 Na2.44 Nb4.4 O62.3 Si16 Ti3.6 -","2","0.5","","Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovsky, D. Y.; Nadezhina, T. N.","Crystal structure and microtwinning of K-rich nenadkevichite Note: Wat4 y-coordinate changed to reproduce reported bond lengths","European Journal of Mineralogy","1994","6","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005203","8.10658","","8.10658","","8.10658","","90","","90","","90","","532.737","","","","","","","","","","Quenched from T = 700 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 700 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005204","8.1065","","8.1065","","8.1065","","90","","90","","90","","532.721","","","","","","","","","","Quenched from T = 750 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 750 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005205","8.1067","","8.1067","","8.1067","","90","","90","","90","","532.761","","","","","","","","","","Quenched from T = 800 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 800 C data set 1","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005207","8.10664","","8.10664","","8.10664","","90","","90","","90","","532.749","","","","","","","","","","Quenched from T = 850 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 850 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005208","8.10664","","8.10664","","8.10664","","90","","90","","90","","532.749","","","","","","","","","","Quenched from T = 900 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 900 C data set 1","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005209","8.10664","","8.10664","","8.10664","","90","","90","","90","","532.749","","","","","","","","","","Quenched from T = 900 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 900 C data set 2","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005210","8.10664","","8.10664","","8.10664","","90","","90","","90","","532.749","","","","","","","","","","Quenched from T = 900 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 900 C data set 3","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005211","8.10688","","8.10688","","8.10688","","90","","90","","90","","532.796","","","","","","","","","","Quenched from T = 950 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 950 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005212","8.1063","","8.1063","","8.1063","","90","","90","","90","","532.682","","","","","","","","","","Quenched from T = 1000 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1000 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005213","8.10669","","8.10669","","8.10669","","90","","90","","90","","532.759","","","","","","","","","","Quenched from T = 1050 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1050 C data set 1","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005215","8.10669","","8.10669","","8.10669","","90","","90","","90","","532.759","","","","","","","","","","Quenched from T = 1050 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1050 C data set 3","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005216","8.10673","","8.10673","","8.10673","","90","","90","","90","","532.767","","","","","","","","","","Quenched from T = 1100 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1100 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005217","8.10683","","8.10683","","8.10683","","90","","90","","90","","532.786","","","","","","","","","","Quenched from T = 1150 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1150 C data set 1","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005218","8.10683","","8.10683","","8.10683","","90","","90","","90","","532.786","","","","","","","","","","Quenched from T = 1150 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1150 C data set 2","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005219","8.10664","","8.10664","","8.10664","","90","","90","","90","","532.749","","","","","","","","","","Quenched from T = 1200 C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co O4 -","- Al2 Co O4 -","- Al16 Co8 O32 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in CoAl2O4 spinel Quenched from T = 1200 C","European Journal of Mineralogy","1994","6","","603","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005220","5.301","","5.301","","15.932","","90","","90","","120","","387.719","","","","","","","","","","","","Cetine mine, Tuscany, Italy","3","R -3 :H","-R 3","148","","","Brizziite","- Na O3 Sb -","- Na O3 Sb -","- Na6 O18 Sb6 -","6","0.333333","","Olmi, F.; Sabelli, C.","Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure","European Journal of Mineralogy","1994","6","","667","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005221","18.194","","7.071","","6.67","","90","","99.7","","90","","845.826","","","","","","","","","","","","Rabejac, France","5","C 1 2/m 1","-C 2y","12","","","Seelite","- As2 H42 Mg O17.6 U2 -","- As2 H14 Mg O17.6 U2 -","- As4 H28 Mg2 O35.2 U4 -","2","0.25","","Piret, P.; Piret-Meunier J","Structure de la seelite de Rabejac (France)","European Journal of Mineralogy","1994","6","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005222","8.5439","","8.5439","","8.5439","","90","","90","","90","","623.69","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe2 O4 Ti -","- Fe2 O4 Ti -","- Fe16 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-16","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005223","8.557","","8.557","","8.557","","90","","90","","90","","626.563","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.804 Mn0.196 O4 Ti -","- Fe1.804 Mn0.196 O4 Ti -","- Fe14.432 Mn1.568 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-17","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005224","8.5688","","8.5688","","8.5688","","90","","90","","90","","629.158","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.604 Mn0.396 O4 Ti -","- Fe1.604 Mn0.396 O4 Ti -","- Fe12.832 Mn3.168 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-07","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005225","8.5837","","8.5837","","8.5837","","90","","90","","90","","632.446","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.424 Mn0.576 O4 Ti -","- Fe1.424 Mn0.576 O4 Ti -","- Fe11.392 Mn4.608 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-06","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005226","8.6004","","8.6004","","8.6004","","90","","90","","90","","636.145","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.218 Mn0.782 O4 Ti -","- Fe1.218 Mn0.782 O4 Ti -","- Fe9.744 Mn6.256 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-18","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005227","8.6112","","8.6112","","8.6112","","90","","90","","90","","638.544","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.008 Mn0.992 O4 Ti -","- Fe1.008 Mn0.992 O4 Ti -","- Fe8.064 Mn7.936 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-08","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005228","8.6315","","8.6315","","8.6315","","90","","90","","90","","643.071","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe0.804 Mn1.196 O4 Ti -","- Fe0.804 Mn1.196 O4 Ti -","- Fe6.432 Mn9.568 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-12","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005229","8.6429","","8.6429","","8.6429","","90","","90","","90","","645.622","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe0.6 Mn1.4 O4 Ti -","- Fe0.6 Mn1.4 O4 Ti -","- Fe4.8 Mn11.2 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-10","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005230","8.6556","","8.6556","","8.6556","","90","","90","","90","","648.472","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe0.378 Mn1.622 O4 Ti -","- Fe0.378 Mn1.622 O4 Ti -","- Fe3.024 Mn12.976 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-11","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005231","8.6651","","8.6651","","8.6651","","90","","90","","90","","650.61","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe0.174 Mn1.826 O4 Ti -","- Fe0.174 Mn1.826 O4 Ti -","- Fe1.392 Mn14.608 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-15","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005232","8.6789","","8.6789","","8.6789","","90","","90","","90","","653.723","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Mn2 O4 Ti -","- Mn2 O4 Ti -","- Mn16 O32 Ti8 -","8","0.0416667","","Sedler, I. K.; Feenstra, A.; Peters, T.","An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel Sample: D-09","European Journal of Mineralogy","1994","6","","873","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005233","6.55","","16.005","","15.969","","90","","101.64","","90","","1639.65","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Uralolite","- Be4 Ca2 H13 O20 P3 -","- Be4 Ca2 H13 O20 P3 -","- Be16 Ca8 H52 O80 P12 -","4","1","","Mereiter, K.; Niedermayr, G.; Walter, F.","Uralolite, Ca2Be4(PO4)3(OH)3*5H2O: new data and crystal structure","European Journal of Mineralogy","1994","6","","887","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005760","5.2","","5.2","","5.2","","90","","90","","90","","140.608","","","","","","","","16000000","","","","","2","F m -3 m","-F 4 2 3","225","","","PbO2","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.0208333","","Liu, L.","The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 160 kbar, before laser heat, fluorite structure","Physics and Chemistry of Minerals","1980","6","","187","196","10.1007/BF00309855","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005761","5.14","","5.14","","5.14","","90","","90","","90","","135.797","","","","","","","","16000000","","","","","2","F m -3 m","-F 4 2 3","225","","","PbO2","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.0208333","","Liu, L.","The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 160 kbar, after laser heat, fluorite structure","Physics and Chemistry of Minerals","1980","6","","187","196","10.1007/BF00309855","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005762","5.14","","5.14","","5.14","","90","","90","","90","","135.797","","","","","","","","24000000","","","","","2","F m -3 m","-F 4 2 3","225","","","PbO2","- O2 Pb -","- O2 Pb -","- O8 Pb4 -","4","0.0208333","","Liu, L.","The high-pressure phase transformations of PbO2: an in-situ X-ray diffraction study Sample: P = 240 kbar, before laser heat, fluorite structure","Physics and Chemistry of Minerals","1980","6","","187","196","10.1007/BF00309855","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007429","15.025","","10.269","","7.628","","90","","105.83","","90","","1132.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Tilleyite","- C2 Ca5 O13 Si2 -","- C2 Ca5 O13 Si2 -","- C8 Ca20 O52 Si8 -","4","1","","Smith, J. V.","The crystal structure of tilleyite","Acta Crystallographica","1953","6","","9","18","10.1107/S0365110X53000028","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007430","10.53","","10.44","","6.9","","90","","90","","90","","758.539","","","","116","","","","","","","","","4","F d d","","","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Frazer B C; Pepinsky R","X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 116 K Locality: synthetic","Acta Crystallographica","1953","6","","273","285","10.1107/S0365110X53000776","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007431","10.48","","10.48","","6.9","","90","","90","","90","","757.83","","","","126","","","","","","","","Synthetic","4","F -4 d 2","","","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Frazer, B. C.; Pepinsky, R.","X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 126 K","Acta Crystallographica","1953","6","","273","285","10.1107/S0365110X53000776","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9009939","12.621","","12.621","","12.621","","90","","90","","90","","2010.4","","","","","","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","Yafsoanite","- Ca2.64 O12 Pb0.51 Te2.09 Zn2.61 -","- Ca2.64 O12 Pb0.51 Te2.09 Zn2.61 -","- Ca21.12 O96 Pb4.08 Te16.72 Zn20.88 -","8","0.166667","","Rozhdestvenskaya, I. V.; Zajakina, N. V.; Kim, A. A.","Crystal structure of a zinc calcium tellurate - yafsoanite","Mineralogiceskij Zhurnal","1984","6","","75","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009991","10.767","","10.767","","8.713","","90","","90","","120","","874.758","","","","35","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 35 K","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009992","10.768","","10.768","","8.72","","90","","90","","120","","875.623","","","","63","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 63 K","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009993","10.825","","10.825","","8.704","","90","","90","","120","","883.294","","","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010518","3.881","","3.881","","6.315","","90","","90","","120","","82.374","","","","","","","","","","","","Llallagua, Bolivia","4","P 63 m c","P 6c -2c","186","","","Wurtzite-2H","- Fe0.25 Mn0.25 S Zn0.5 -","- Fe0.25 Mn0.25 S Zn0.5 -","- Fe0.5 Mn0.5 S2 Zn -","2","0.166667","","Mloszewski, M. J.; Saha, A. K.; Nuffield, E. W.","Manganoan ferroan wurtzite from Llallagua, Bolivia (II)","The Canadian Mineralogist","1957","6","","136","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010975","8.65","","6.27","","7.43","","101.97","","104","","73.18","","370.154","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","Korshunovskite","- Cl H11 Mg2 O7 -","- Cl H8 Mg2 O7 -","- Cl2 H16 Mg4 O14 -","2","1","","de Wolff, P. M.; Walter-Levy L","The crystal structure of Mg2(OH)3(Cl,Br)*4H2O","Acta Crystallographica","1953","6","","40","44","10.1107/S0365110X53000089","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010976","12.85","","8.07","","9.31","","90","","93.13","","90","","964.002","","","","","","","","","","","","Synthetic","1","P 1 21/a 1","-P 2yab","14","","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Marsh, R. E.; Pauling, L.; McCullough, J. D.","The crystal structure of beta-selenium Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246","Acta Crystallographica","1953","6","","71","75","10.1107/S0365110X53000168","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010977","8.73","","10.152","","9.57","","90","","90","","90","","848.16","","","","","","","","","","","","","4","P c m b","-P 2bc 2c","57","","","Phosphoferrite","- Fe3 H6 O11 P2 -","- Fe3 H6 O11 P2 -","- Fe12 H24 O44 P8 -","4","0.5","","Eversheim, P.; Kleber, W.","Morphologie und struktur des reddingits, P2O5*3FeO*3H2O Note: z(FeII) adjusted to match symmetry constraint","Acta Crystallographica","1953","6","","215","216","10.1107/S0365110X53000600","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010980","9.076","","9.583","","8.578","","90","","90","","90","","746.074","","","","","","","","","","","","Benallt Mine, near Rhiw, Carnarvonshire, U.K.","4","P n a m","-P 2c 2n","62","","","Paracelsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","0.5","","Smith, J. V.","The crystal structure of paracelsian, BaAl2Si2O8","Acta Crystallographica","1953","6","","613","620","10.1107/S0365110X53001721","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011636","4.242","","4.242","","4.242","","90","","90","","90","","76.333","","","","18.76","","","","171000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Helium","","Helium","- He -","- He -","- He4 -","4","0.0208333","","Schuch, A. F.; Mills, R. L.","New allotropic form of He3 Sample: at T = 18.76 K & P = .171 GPa","Physical Review Letters","1961","6","","596","597","10.1103/PhysRevLett.6.596","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011637","3.046","","3.046","","4.986","","90","","90","","120","","40.063","","","","15.98","","","","136000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","New allotropic form of He3 Sample: at T = 15.98 K & P = .136 GPa","Physical Review Letters","1961","6","","596","597","10.1103/PhysRevLett.6.596","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011842","4.5","","4.5","","17.6","","90","","90","","120","","308.651","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Kochkarite","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","1","0.0833333","","Talybov, A. G.; Vainshtein, B. K.","An electron diffraction study of the structure of PbBi4Te7 Loality: synthetic","Soviet Physics Crystallography","1962","6","","432","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011843","8.16","","7.79","","14.08","","90","","90","","90","","895.015","","","","","","","","","","","","Stoneham, Maine, USA","4","P 1 21/n 1","-P 2yn","14","","","Beryllonite","- Be Na O4 P -","- Be Na O4 P -","- Be12 Na12 O48 P12 -","12","3","","Golovastikov, N. I.","The crystal structure of beryllonite (NaBePO4)","Soviet Physics Crystallography","1962","6","","733","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011946","13.4","","26.79999","","5.28","","90","","90","","90","","1896.15","","","","","","","","","","","","","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H14 Mg4 O23 Si6 -","- H14 Mg4 O23 Si6 -","- H56 Mg16 O92 Si24 -","4","0.5","","Brauner, K.; Preisinger, A.","Struktur und entstehung des sepioliths","Tschermaks Mineralogische und Petrographische Mitteilungen","1956","6","","120","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012108","3.5561","","3.5561","","19.365","","90","","90","","120","","212.078","","","","4.2","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Caswellsilverite","- Cr Na S2 -","- Cr Na S2 -","- Cr3 Na3 S6 -","3","0.0833333","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012109","3.5544","","3.5544","","19.492","","90","","90","","120","","213.265","","","","300","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Caswellsilverite","- Cr Na S2 -","- Cr Na S2 -","- Cr3 Na3 S6 -","3","0.0833333","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012110","3.7323","","3.7323","","20.237","","90","","90","","120","","244.135","","","","4.2","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","","- Cr Na Se2 -","- Cr Na Se2 -","- Cr3 Na3 Se6 -","3","0.0833333","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012111","3.7323","","3.7323","","20.396","","90","","90","","120","","246.053","","","","300","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","","- Cr Na Se2 -","- Cr Na Se2 -","- Cr3 Na3 Se6 -","3","0.0833333","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012112","3.4728","","3.4728","","18.616","","90","","90","","120","","194.436","","","","4.2","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","Grokhovskyite","- Cr Cu S2 -","- Cr Cu S2 -","- Cr3 Cu3 S6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012113","3.4812","","3.4812","","18.697","","90","","90","","120","","196.228","","","","300","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","Grokhovskyite","- Cr Cu S2 -","- Cr Cu S2 -","- Cr3 Cu3 S6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012114","3.4884","","3.4884","","20.414","","90","","90","","120","","215.135","","","","4.2","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","","- Ag Cr S2 -","- Ag Cr S2 -","- Ag3 Cr3 S6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012115","3.4974","","3.4974","","20.481","","90","","90","","120","","216.956","","","","300","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","","- Ag Cr S2 -","- Ag Cr S2 -","- Ag3 Cr3 S6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012116","3.6898","","3.6898","","21.024","","90","","90","","120","","247.886","","","","4.2","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","","- Ag Cr Se2 -","- Ag Cr Se2 -","- Ag3 Cr3 Se6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012117","3.6809","","3.6809","","21.21","","90","","90","","120","","248.874","","","","300","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","","- Ag Cr Se2 -","- Ag Cr Se2 -","- Ag3 Cr3 Se6 -","3","0.166667","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012118","3.6821","","3.6821","","21.231","","90","","90","","120","","249.283","","","","525","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","","- Ag Cr Se2 -","- Ag Cr Se2 -","- Ag3 Cr3 Se6 -","3","0.0833333","","Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.","Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 525 K","Journal of Solid State Chemistry","1973","6","","574","582","10.1016/S0022-4596(73)80018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012416","10.011","","10.614","","9.853","","90","","93.11","","90","","1045.41","","","","15","","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","","Gismondine","- Al2 Ca H8.606 O12.303 Si2 -","- Al2 Ca H8.606 O12.303 Si2 -","- Al8 Ca4 H34.424 O49.212 Si8 -","4","1","","Artioli, G.; Rinaldi, R.; Kvick, A.; Smith, J. V.","Neutron diffraction structure refinement of the zeolite gismondine at 15 K Sample: T = 15 K","Zeolites","1986","6","","361","366","10.1016/0144-2449(86)90063-1","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012500","6.115","","5.2394","","4.8554","","90","","90","","90","","155.562","","","","","","","","","","","","Synthetic","3","P m n 21","P 2ac -2","31","","","Lithiophosphate","- Li3 O4 P -","- Li3 O4 P -","- Li6 O8 P2 -","2","0.5","","Keffer, C.; Mighell, A. D.; Mauer, F.; Swanson, H.; Block, S.","The crystal structure of twinned low-temperature lithium phosphate Note: dimorphic with lithiophosphate","Inorganic Chemistry","1967","6","","119","125","10.1021/ic50047a027","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9012501","4.3662","","4.3662","","4.9536","","90","","90","","120","","81.782","","","","","","","","","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Cherin, P.; Unger, P.","The crystal structure of trigonal selenium","Inorganic Chemistry","1967","6","","1589","1591","10.1021/ic50054a037","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012754","5.4142","","9.1659","","6.4309","","90","","90","","90","","319.14","","","","298.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Niter","- K N O3 -","- K N O3 -","- K4 N4 O12 -","4","0.5","","Nimmo, J. K.; Lucas, B. W.","A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 25 C","Journal of Physics C: Solid State Physics","1973","6","","201","211","10.1088/0022-3719/6/2/001","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012755","5.423","","9.1827","","6.5189","","90","","90","","90","","324.627","","","","373.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Niter","- K N O3 -","- K N O3 -","- K4 N4 O12 -","4","0.5","","Nimmo, J. K.; Lucas, B. W.","A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 100 C","Journal of Physics C: Solid State Physics","1973","6","","201","211","10.1088/0022-3719/6/2/001","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012785","7.855","","5.449","","6.089","","91.44","","101.9","","89.2","","254.929","","","","","","","","","","","","Musonoi Mine, Kolwezi, Katanga, Zaire","4","P -1","-P 1","2","","","Vandenbrandeite","- Cu H4 O6 U -","- Cu H4 O6 U -","- Cu2 H8 O12 U2 -","2","1","","Rosenzweig, A.; Ryan, R. R.","Vandenbrandeite CuUO2(OH)4","Crystal Structure Communications","1977","6","","53","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012786","17.382","","7.047","","6.61","","90","","105.9","","90","","778.688","","","","","","","","","","","","Naica, Chihuahua, Mexico","5","C 1 2/m 1","-C 2y","12","","","Sklodowskite","- H10 Mg O18 Si2 U2 -","- H10 Mg O18 Si2 U2 -","- H20 Mg2 O36 Si4 U4 -","2","0.25","","Ryan, R. R.; Rosenzweig, A.","Sklodowskite, MgO*2UO3*2SiO2*7H2O","Crystal Structure Communications","1977","6","","611","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012787","6.704","","6.932","","13.252","","90","","104.22","","90","","596.979","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Kasolite","- H2 O7 Pb Si U -","- H2 O7 Pb Si U -","- H8 O28 Pb4 Si4 U4 -","4","1","","Rosenzweig, A.; Ryan, R. R.","Kasolite, Pb(UO2)(SiO4)*H2O","Crystal Structure Communications","1977","6","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9012802","13.009","","13.009","","13.009","","90","","90","","90","","2201.57","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- B1.095 Cs0.814 O6 Si1.977 -","- B1.095 Cs0.814 O6 Si1.977 -","- B17.52 Cs13.024 O96 Si31.632 -","16","0.166667","","Bubnova, R. S.; Stepanov, N. K.; Levin, A. A.; Filatov, S. K.; Paufler, P.; Meyer, D. C.","Crystal structure and thermal behaviour of boropollucite CsBSi2O6","Solid State Sciences","2004","6","","629","627","10.1016/j.solidstatesciences.2004.03.015","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012803","12.1","","3.57","","6.183","","90","","120.73","","90","","229.584","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co3 Se4 -","- Co3 Se4 -","- Co6 Se8 -","2","0.25","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8 Note: single crystal","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012804","11.9309","","3.5732","","6.1359","","90","","119.325","","90","","228.062","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co3 Se4 -","- Co3 Se4 -","- Co6 Se8 -","2","0.25","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8 Note: powder refinement","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012805","12.367","","7.1402","","8.079","","90","","139.935","","90","","459.184","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co6.84 Se8 -","- Co6.84 Se8 -","- Co13.68 Se16 -","2","0.25","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012806","12.4039","","7.1793","","8.1756","","90","","139.903","","90","","468.924","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co6.8 Se8 -","- Co6.8 Se8 -","- Co13.6 Se16 -","2","0.25","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012850","13.5","","28.8","","8.66","","90","","90.04","","90","","3367.01","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O12 P4 Zr -","- O12 P4 Zr -","- O192 P64 Zr16 -","16","2","","Locock, A. J.","Crystal chemistry of actinide phosphates and arsenates","Structural Chemistry of Inorganic Actinide Compounds","2006","6","","214","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012851","11.51","","13.01","","8.15","","90","","134","","90","","877.899","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","1","","Locock, A. J.","Crystal chemistry of actinide phosphates and arsenates","Structural Chemistry of Inorganic Actinide Compounds","2006","6","","214","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013304","3.8754","","3.8754","","6.3276","","90","","90","","120","","82.301","","","","","","","","","","","","Llallagua, Bolivia","4","P 63 m c","P 6c -2c","186","","","Wurtzite-2H","- Fe0.26 Mn0.31 S Zn0.43 -","- Fe0.26 Mn0.31 S Zn0.43 -","- Fe0.52 Mn0.62 S2 Zn0.86 -","2","0.166667","","Mloszewski, M. J.; Saha, A. K.; Nuffield, E. W.","Manganoan ferroan wurtzite from Llallagua, Bolivia (II)","The Canadian Mineralogist","1957","6","","136","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013970","4.5559","","4.5559","","4.5559","","90","","90","","90","","94.563","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013971","4.55613","","4.55613","","4.55613","","90","","90","","90","","94.578","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013972","4.55643","","4.55643","","4.55643","","90","","90","","90","","94.596","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014156","6.5412","","6.5412","","4.558","","90","","90","","120","","168.896","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 30 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014174","6.7522","","6.7522","","4.74","","90","","90","","120","","187.154","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 0.0001 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014280","6.7472","","6.7472","","4.716","","90","","90","","120","","185.931","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 1.8 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014494","6.6496","","6.6496","","4.638","","90","","90","","120","","177.604","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 14.4 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014541","15.3","","15.3","","10.2","","90","","90","","90","","2387.72","","","","","","","","","","","","Gornoe Ozero alkaline-ultrabasic Massif, Yakutia, Russia","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","","Calcirtite","- Ca2 O16 Ti2 Zr5 -","- Ca2 O16 Ti2 Zr5 -","- Ca16 O128 Ti16 Zr40 -","8","0.25","","Pyatenko, Y. A.; Pudovkina, Z. V.","The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type Note: ideal structure","Soviet Physics Crystallography","1961","6","","155","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014763","6.6904","","6.6904","","4.667","","90","","90","","120","","180.914","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 8.8 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014783","6.5771","","6.5771","","4.593","","90","","90","","120","","172.066","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 22.6 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015026","6.7169","","6.7169","","4.696","","90","","90","","120","","183.483","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 4.5 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015104","6.7277","","6.7277","","4.695","","90","","90","","120","","184.035","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 3.6 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015765","6.6193","","6.6193","","4.621","","90","","90","","120","","175.344","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 18.7 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016009","6.7108","","6.7108","","4.688","","90","","90","","120","","182.838","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 5.7 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016187","6.7031","","6.7031","","4.676","","90","","90","","120","","181.952","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 7.5 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016520","9.9","","18.04","","5.33","","90","","106.75","","90","","911.528","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Barroisite","- Al2 Ca H2 Mg3 Na O24 Si8 -","- Al2 Ca H2 Mg3 Na O24 Si8 -","- Al4 Ca2 H4 Mg6 Na2 O48 Si16 -","2","0.25","","Heritsch, H.; Paulitsch, P.; Walitzi, E. M.","Die Struktur von Karinthin und einer barroisitischen Hornblende Note: this is not a good structure","Tschermaks Mineralogische und Petrographische Mitteilungen","1957","6","","215","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016531","8.955","","5.149","","6.629","","90","","90","","90.45","","305.649","","","","","","","","","","","","","5","P 1 1 21/m","-P 2c","11","","","Bonshtedtite","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Tjy, C. T. L.; Nadezhina, T. N.; Pobedimskaya, E. A.; Khomyakov, A. P.","Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite Note: atomic parameters from ICSD","Mineralogiceskij Zhurnal","1984","6","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016681","6.6752","","6.6752","","4.649","","90","","90","","120","","179.398","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 11 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017758","4.918","","6.001","","3.57","","90","","90","","90","","105.361","","","","","","","","","","","","Predborice Deposit, Central Bohemia Region, Czech Republic","3","P n n m","-P 2 2n","58","","","Petricekite","- Cu0.53 Fe0.47 Se2 -","- Cu0.53 Fe0.47 Se2 -","- Cu1.06 Fe0.94 Se4 -","2","0.25","","Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J.","Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic","Minerals","2016","6","","","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017759","8.9338","","31.891","","8.472","","90","","117.943","","90","","2132.33","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As3.78 Pb14 S23 Sb2.22 -","- As3.78 Pb14 S23 Sb2.22 -","- As7.56 Pb28 S46 Sb4.44 -","2","0.5","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-bearing jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017760","8.9554","","31.9228","","8.4937","","90","","117.981","","90","","2144.34","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Jordanite","- As1.067 Pb4.667 S7.667 Sb0.933 -","- As1.06733 Pb4.66667 S7.66667 Sb0.932667 -","- As6.404 Pb28 S46 Sb5.596 -","6","1.5","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: Sb-rich jordanite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017761","8.972","","31.953","","8.4888","","90","","117.964","","90","","2149.45","","","","","","","","","","","","Pollone mine, Valdicastello Carducci, Pietrasanta, Tuscany, Italy","4","P 1 21/m 1","-P 2yb","11","","","Geocronite","- As0.847 Pb4.667 S7.667 Sb1.153 -","- As0.846667 Pb4.66667 S7.66667 Sb1.15333 -","- As5.08 Pb28 S46 Sb6.92 -","6","1.5","","Biagioni, C.; Dini, A.; Orlandi, P.; Moelo, Y.; Pasero, M.; Zaccarini, F.","Lead-antimony sulfosalts from Tuscany (Italy). XX. Members of the jordanite-geocronite series from the Pollone mine, Valdicastello Carducci: Occurrence and crystal structures Note: As-bearing geocronite","Minerals","2016","6","","","doi:10.3390","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""